From 2f06cbc16eb730ae94de59700acb34fa801de746 Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Tue, 6 Feb 2024 21:56:59 +0100 Subject: [PATCH 01/66] Add Friedman's H-squared of pairwise interaction statistics --- sklearn/inspection/_friedmans_h.py | 167 +++++++++++++++++++++++++++++ 1 file changed, 167 insertions(+) create mode 100644 sklearn/inspection/_friedmans_h.py diff --git a/sklearn/inspection/_friedmans_h.py b/sklearn/inspection/_friedmans_h.py new file mode 100644 index 0000000000000..dad8e90a4f95a --- /dev/null +++ b/sklearn/inspection/_friedmans_h.py @@ -0,0 +1,167 @@ +import itertools + +import numpy as np +from sklearn.utils import _safe_indexing, _safe_assign, _get_column_indices +from sklearn.ensemble._bagging import _generate_indices + + +def _calculate_pd_over_data(estimator, X, feature_indices, sample_weight=None): + """Calculates partial dependence over the data distribution. + + It returns a 1D or 2D numpy array of the same length as X. + """ + + # Select grid columns and remove duplicates (will compensate below) + grid = _safe_indexing(X, feature_indices, axis=1) + grid, ix_reconstruct = np.unique(grid, return_inverse=True, axis=0) + n_grid = grid.shape[0] + + # X is stacked n_grid times, and grid columns are replaced by replicated grid + n = X.shape[0] + X_stacked = _safe_indexing(X, np.tile(np.arange(n), n_grid), axis=0) + _safe_assign( + X_stacked, values = np.repeat(grid, n, axis=0), column_indexer=feature_indices + ) + + # Predict on stacked data + if hasattr(estimator, "predict_proba"): + preds = estimator.predict_proba(X_stacked) + else: + preds = estimator.predict(X_stacked) + + # Predictions are averaged by grid value, mapped to original row order, and centered + averaged_predictions = np.array( + [np.average(Z, axis=0, weights=sample_weight) for Z in np.split(preds, n_grid)] + ) + averaged_predictions = averaged_predictions[ix_reconstruct] + column_means = np.average(averaged_predictions, axis=0, weights=sample_weight) + return averaged_predictions - column_means + + +def hstatistics( + model, + X, + *, + features=None, + n_max=500, + random_state=None, + sample_weight=None + ): + """Friedman and Popescu's H-statistics of pairwise interaction strength. + + For each feature pair, Friedman and Popescu's H-squared statistic [FRI]_ of + interaction is calculated. It equals the proportion of effect variability + of the two features unexplained by the main effects. Besides the "official" + H-squared statistic, also the unnormalized statistic is returned. Its root + is on the scale of the predictions and can directly compared between feature + pairs. + + The complexity of the function is of O(n^2 p^2), where n is the number of + data rows and p is the number of features considered. + The size of n is automatically controlled via `n_max=500`, while it is + your responsibility to pass only 2-5 *important* features or features of + special interest. + + Parameters + ---------- + estimator : object + An estimator that has already been :term:`fitted`. + + X : ndarray or DataFrame, shape (n_observations, n_features) + Data for which :term:`estimator` is able to calculate predictions. + + features : array-like of {int, str}, default=None + List of feature names or column indices used to calculate pairwise statistics. + The default, None, will use all column indices of X. + + n_max : int, default=500 + The number of rows to draw without replacement from X (and `sample_weight`). + + random_state : int, RandomState instance, default=None + Pseudo-random number generator used for subsampling via `n_max`. + See :term:`Glossary `. + + sample_weight : array-like of shape (n_samples,), default=None + Sample weights used in calculating partial dependences. + + Returns + ------- + result : A list with a tuple per feature pair. Each element contains the two + feature names/indices, the unnormalized H-squared statistic, and the usual + (normalized) H-squared statistic. + + References + ---------- + .. [FRI] :doi:`J. H. Friedman and B. E. Popescu, + "Predictive Learning via Rule Ensembles", + The Annals of Applied Statistics, 2(3), 916-954, + 2008. <10.1214/07-AOAS148>` + + Examples + ---------- + + >>> from sklearn.ensemble import HistGradientBoostingRegressor + >>> from sklearn.inspection import permutation_importance + >>> from sklearn.datasets import load_diabetes + + >>> X, y = load_diabetes(return_X_y=True) + >>> est = HistGradientBoostingRegressor().fit(X, y) + + >>> # Get Friedman's H-squared for top three predictors + >>> imp = permutation_importance(est, X, y, n_repeats=10, random_state=0) + >>> top_3 = np.argsort(imp.importances_mean)[-3:] + >>> hstatistics(est, X=X, features=top_3, random_state=4) + + >>> For features 3 and 2, ~4% of joint effect variability comes from interaction: + >>> [(3, 2, 50.42733968603663, 0.043352605995576346), + >>> (3, 8, 20.34764277579143, 0.015648706966531766), + >>> (2, 8, 56.778288912326026, 0.025823266523399196)] + + """ + # Usually, the data is too large and we need subsampling + if X.shape[0] > n_max: + row_indices = _generate_indices( + random_state=random_state, + bootstrap=False, + n_population=X.shape[0], + n_samples=n_max, + ) + X = _safe_indexing(X, row_indices, axis=0) + if sample_weight is not None: + sample_weight = _safe_indexing(sample_weight, row_indices, axis=0) + else: + X = X.copy() + + if features is None: + features = feature_indices = np.arange(X.shape[1]) + else: + feature_indices = np.asarray( + _get_column_indices(X, features), dtype="int32", order="C" + ).ravel() + + # CALCULATIONS + pd_univariate = [] + for ind in feature_indices: + pd_univariate.append( + _calculate_pd_over_data( + model, X=X, feature_indices=[ind], sample_weight=sample_weight + ) + ) + + stats = [] + for i, j in itertools.combinations(range(len(feature_indices)), 2): + pd_bivariate = _calculate_pd_over_data( + model, + X=X, + feature_indices=feature_indices[[i, j]], + sample_weight=sample_weight + ) + numerator = np.average( + (pd_bivariate - pd_univariate[i] - pd_univariate[j])**2, + axis=0, + weights=sample_weight + ) + denominator = np.average(pd_bivariate**2, axis=0, weights=sample_weight) + stats.append((features[i], features[j], numerator, numerator / denominator)) + + return stats \ No newline at end of file From 38f3d6c9f5cc726a04b384aefb5c76b548ff0599 Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Tue, 6 Feb 2024 22:10:42 +0100 Subject: [PATCH 02/66] run black --- sklearn/inspection/_friedmans_h.py | 54 +++++++++++++----------------- 1 file changed, 24 insertions(+), 30 deletions(-) diff --git a/sklearn/inspection/_friedmans_h.py b/sklearn/inspection/_friedmans_h.py index dad8e90a4f95a..1ccdce378ae0e 100644 --- a/sklearn/inspection/_friedmans_h.py +++ b/sklearn/inspection/_friedmans_h.py @@ -7,7 +7,7 @@ def _calculate_pd_over_data(estimator, X, feature_indices, sample_weight=None): """Calculates partial dependence over the data distribution. - + It returns a 1D or 2D numpy array of the same length as X. """ @@ -20,15 +20,15 @@ def _calculate_pd_over_data(estimator, X, feature_indices, sample_weight=None): n = X.shape[0] X_stacked = _safe_indexing(X, np.tile(np.arange(n), n_grid), axis=0) _safe_assign( - X_stacked, values = np.repeat(grid, n, axis=0), column_indexer=feature_indices + X_stacked, values=np.repeat(grid, n, axis=0), column_indexer=feature_indices ) # Predict on stacked data if hasattr(estimator, "predict_proba"): preds = estimator.predict_proba(X_stacked) - else: + else: preds = estimator.predict(X_stacked) - + # Predictions are averaged by grid value, mapped to original row order, and centered averaged_predictions = np.array( [np.average(Z, axis=0, weights=sample_weight) for Z in np.split(preds, n_grid)] @@ -39,26 +39,20 @@ def _calculate_pd_over_data(estimator, X, feature_indices, sample_weight=None): def hstatistics( - model, - X, - *, - features=None, - n_max=500, - random_state=None, - sample_weight=None - ): + model, X, *, features=None, n_max=500, random_state=None, sample_weight=None +): """Friedman and Popescu's H-statistics of pairwise interaction strength. - For each feature pair, Friedman and Popescu's H-squared statistic [FRI]_ of + For each feature pair, Friedman and Popescu's H-squared statistic [FRI]_ of interaction is calculated. It equals the proportion of effect variability of the two features unexplained by the main effects. Besides the "official" H-squared statistic, also the unnormalized statistic is returned. Its root is on the scale of the predictions and can directly compared between feature pairs. - The complexity of the function is of O(n^2 p^2), where n is the number of - data rows and p is the number of features considered. - The size of n is automatically controlled via `n_max=500`, while it is + The complexity of the function is of O(n^2 p^2), where n is the number of + data rows and p is the number of features considered. + The size of n is automatically controlled via `n_max=500`, while it is your responsibility to pass only 2-5 *important* features or features of special interest. @@ -73,7 +67,7 @@ def hstatistics( features : array-like of {int, str}, default=None List of feature names or column indices used to calculate pairwise statistics. The default, None, will use all column indices of X. - + n_max : int, default=500 The number of rows to draw without replacement from X (and `sample_weight`). @@ -92,9 +86,9 @@ def hstatistics( References ---------- - .. [FRI] :doi:`J. H. Friedman and B. E. Popescu, - "Predictive Learning via Rule Ensembles", - The Annals of Applied Statistics, 2(3), 916-954, + .. [FRI] :doi:`J. H. Friedman and B. E. Popescu, + "Predictive Learning via Rule Ensembles", + The Annals of Applied Statistics, 2(3), 916-954, 2008. <10.1214/07-AOAS148>` Examples @@ -116,7 +110,7 @@ def hstatistics( >>> [(3, 2, 50.42733968603663, 0.043352605995576346), >>> (3, 8, 20.34764277579143, 0.015648706966531766), >>> (2, 8, 56.778288912326026, 0.025823266523399196)] - + """ # Usually, the data is too large and we need subsampling if X.shape[0] > n_max: @@ -147,21 +141,21 @@ def hstatistics( model, X=X, feature_indices=[ind], sample_weight=sample_weight ) ) - + stats = [] for i, j in itertools.combinations(range(len(feature_indices)), 2): pd_bivariate = _calculate_pd_over_data( - model, - X=X, - feature_indices=feature_indices[[i, j]], - sample_weight=sample_weight + model, + X=X, + feature_indices=feature_indices[[i, j]], + sample_weight=sample_weight, ) numerator = np.average( - (pd_bivariate - pd_univariate[i] - pd_univariate[j])**2, - axis=0, - weights=sample_weight + (pd_bivariate - pd_univariate[i] - pd_univariate[j]) ** 2, + axis=0, + weights=sample_weight, ) denominator = np.average(pd_bivariate**2, axis=0, weights=sample_weight) stats.append((features[i], features[j], numerator, numerator / denominator)) - return stats \ No newline at end of file + return stats From f173c5185e06bc3efb433b290751ed51f87b2a31 Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Wed, 7 Feb 2024 22:08:24 +0100 Subject: [PATCH 03/66] np.unique() does not work well for non-standard values --- sklearn/inspection/_friedmans_h.py | 9 ++++++++- 1 file changed, 8 insertions(+), 1 deletion(-) diff --git a/sklearn/inspection/_friedmans_h.py b/sklearn/inspection/_friedmans_h.py index 1ccdce378ae0e..d8090642ebe03 100644 --- a/sklearn/inspection/_friedmans_h.py +++ b/sklearn/inspection/_friedmans_h.py @@ -13,7 +13,14 @@ def _calculate_pd_over_data(estimator, X, feature_indices, sample_weight=None): # Select grid columns and remove duplicates (will compensate below) grid = _safe_indexing(X, feature_indices, axis=1) - grid, ix_reconstruct = np.unique(grid, return_inverse=True, axis=0) + + # Unfortunately, the next line does not work in all cases. How to replace + # the next uncommented lines? We need unique grid rows and reconstruction index. + # grid, ix_reconstruct = np.unique(grid, return_inverse=True, axis=0) + _, ix, ix_reconstruct = np.unique( + [str(z) for z in grid.to_numpy()], return_index=True, return_inverse=True + ) + grid = _safe_indexing(grid, ix, axis=0) n_grid = grid.shape[0] # X is stacked n_grid times, and grid columns are replaced by replicated grid From 2e7b73141ee53d3e373650003a46c025d22c49d0 Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Wed, 7 Feb 2024 22:36:30 +0100 Subject: [PATCH 04/66] Reorganize imports --- sklearn/inspection/_friedmans_h.py | 7 +++++-- 1 file changed, 5 insertions(+), 2 deletions(-) diff --git a/sklearn/inspection/_friedmans_h.py b/sklearn/inspection/_friedmans_h.py index d8090642ebe03..09ee76d80967a 100644 --- a/sklearn/inspection/_friedmans_h.py +++ b/sklearn/inspection/_friedmans_h.py @@ -1,8 +1,11 @@ +"""Friedman and Popescu's H-squared statistics""" + import itertools import numpy as np -from sklearn.utils import _safe_indexing, _safe_assign, _get_column_indices -from sklearn.ensemble._bagging import _generate_indices + +from ..utils import _safe_indexing, _safe_assign, _get_column_indices +from ..ensemble._bagging import _generate_indices def _calculate_pd_over_data(estimator, X, feature_indices, sample_weight=None): From 64581e22dc46f08e9a861690e9d1b11a12689640 Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Wed, 7 Feb 2024 22:41:13 +0100 Subject: [PATCH 05/66] run ruff --- sklearn/inspection/_friedmans_h.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/sklearn/inspection/_friedmans_h.py b/sklearn/inspection/_friedmans_h.py index 09ee76d80967a..a9e4bfed612f6 100644 --- a/sklearn/inspection/_friedmans_h.py +++ b/sklearn/inspection/_friedmans_h.py @@ -4,8 +4,8 @@ import numpy as np -from ..utils import _safe_indexing, _safe_assign, _get_column_indices from ..ensemble._bagging import _generate_indices +from ..utils import _get_column_indices, _safe_assign, _safe_indexing def _calculate_pd_over_data(estimator, X, feature_indices, sample_weight=None): From 8e506378f369eac6e367f5000906f82de0e92d18 Mon Sep 17 00:00:00 2001 From: mayer79 Date: Thu, 8 Feb 2024 09:19:59 +0100 Subject: [PATCH 06/66] check weights and is fitted --- sklearn/inspection/_friedmans_h.py | 13 ++++++++++--- 1 file changed, 10 insertions(+), 3 deletions(-) diff --git a/sklearn/inspection/_friedmans_h.py b/sklearn/inspection/_friedmans_h.py index a9e4bfed612f6..e157c3246fdbb 100644 --- a/sklearn/inspection/_friedmans_h.py +++ b/sklearn/inspection/_friedmans_h.py @@ -6,6 +6,7 @@ from ..ensemble._bagging import _generate_indices from ..utils import _get_column_indices, _safe_assign, _safe_indexing +from ..utils.validation import _check_sample_weight, check_is_fitted def _calculate_pd_over_data(estimator, X, feature_indices, sample_weight=None): @@ -49,7 +50,7 @@ def _calculate_pd_over_data(estimator, X, feature_indices, sample_weight=None): def hstatistics( - model, X, *, features=None, n_max=500, random_state=None, sample_weight=None + estimator, X, *, features=None, n_max=500, random_state=None, sample_weight=None ): """Friedman and Popescu's H-statistics of pairwise interaction strength. @@ -122,6 +123,11 @@ def hstatistics( >>> (2, 8, 56.778288912326026, 0.025823266523399196)] """ + check_is_fitted(estimator) + + if sample_weight is not None: + sample_weight = _check_sample_weight(sample_weight, X) + # Usually, the data is too large and we need subsampling if X.shape[0] > n_max: row_indices = _generate_indices( @@ -136,6 +142,7 @@ def hstatistics( else: X = X.copy() + # TODO: Improve logic, e.g., use column names if there are some if features is None: features = feature_indices = np.arange(X.shape[1]) else: @@ -148,14 +155,14 @@ def hstatistics( for ind in feature_indices: pd_univariate.append( _calculate_pd_over_data( - model, X=X, feature_indices=[ind], sample_weight=sample_weight + estimator, X=X, feature_indices=[ind], sample_weight=sample_weight ) ) stats = [] for i, j in itertools.combinations(range(len(feature_indices)), 2): pd_bivariate = _calculate_pd_over_data( - model, + estimator, X=X, feature_indices=feature_indices[[i, j]], sample_weight=sample_weight, From efa4071bb1f990c6c45ffdb0a31427cde99277db Mon Sep 17 00:00:00 2001 From: mayer79 Date: Thu, 8 Feb 2024 09:41:58 +0100 Subject: [PATCH 07/66] Replace compression logic by try except --- sklearn/inspection/_friedmans_h.py | 17 +++++++++-------- 1 file changed, 9 insertions(+), 8 deletions(-) diff --git a/sklearn/inspection/_friedmans_h.py b/sklearn/inspection/_friedmans_h.py index e157c3246fdbb..7f646640b1fea 100644 --- a/sklearn/inspection/_friedmans_h.py +++ b/sklearn/inspection/_friedmans_h.py @@ -18,13 +18,13 @@ def _calculate_pd_over_data(estimator, X, feature_indices, sample_weight=None): # Select grid columns and remove duplicates (will compensate below) grid = _safe_indexing(X, feature_indices, axis=1) - # Unfortunately, the next line does not work in all cases. How to replace - # the next uncommented lines? We need unique grid rows and reconstruction index. - # grid, ix_reconstruct = np.unique(grid, return_inverse=True, axis=0) - _, ix, ix_reconstruct = np.unique( - [str(z) for z in grid.to_numpy()], return_index=True, return_inverse=True - ) - grid = _safe_indexing(grid, ix, axis=0) + # Unfortunately, the next line does not work in all cases, especially not in + # the important case of discrete pandas Dataframes. + try: + compressed = True + grid, ix_reconstruct = np.unique(grid, return_inverse=True, axis=0) + except: + compressed = False n_grid = grid.shape[0] # X is stacked n_grid times, and grid columns are replaced by replicated grid @@ -44,7 +44,8 @@ def _calculate_pd_over_data(estimator, X, feature_indices, sample_weight=None): averaged_predictions = np.array( [np.average(Z, axis=0, weights=sample_weight) for Z in np.split(preds, n_grid)] ) - averaged_predictions = averaged_predictions[ix_reconstruct] + if compressed: + averaged_predictions = averaged_predictions[ix_reconstruct] column_means = np.average(averaged_predictions, axis=0, weights=sample_weight) return averaged_predictions - column_means From f53b838fe2e9044670056aa78c9e8cc6a8896189 Mon Sep 17 00:00:00 2001 From: mayer79 Date: Thu, 8 Feb 2024 10:26:50 +0100 Subject: [PATCH 08/66] Switch to Bunch output --- sklearn/inspection/_friedmans_h.py | 60 +++++++++++++++++++++--------- 1 file changed, 42 insertions(+), 18 deletions(-) diff --git a/sklearn/inspection/_friedmans_h.py b/sklearn/inspection/_friedmans_h.py index 7f646640b1fea..5ecd275d654d7 100644 --- a/sklearn/inspection/_friedmans_h.py +++ b/sklearn/inspection/_friedmans_h.py @@ -5,7 +5,7 @@ import numpy as np from ..ensemble._bagging import _generate_indices -from ..utils import _get_column_indices, _safe_assign, _safe_indexing +from ..utils import _get_column_indices, _safe_assign, _safe_indexing, Bunch from ..utils.validation import _check_sample_weight, check_is_fitted @@ -92,9 +92,21 @@ def hstatistics( Returns ------- - result : A list with a tuple per feature pair. Each element contains the two - feature names/indices, the unnormalized H-squared statistic, and the usual - (normalized) H-squared statistic. + result : :class:`~sklearn.utils.Bunch` + Dictionary-like object, with the following attributes. + + feature_pair : ndarray of shape (n_feature_pairs, ) + Contains feature pair tuples in the same order as pairwise statistics. + numerator_pairwise : ndarray of shape (n_pairs, ) or (n_pairs, output_dim) + Numerator of pairwise H-squared statistic. + Useful to see which feature pair has strongest absolute interaction. + Take square-root to get values on the scale of the predictions. + denominator_pairwise : ndarray of shape (n_pairs, ) or (n_pairs, output_dim) + Denominator of pairwise H-squared statistic. + hsquared_pairwise : ndarray of shape (n_pairs, ) or (n_pairs, output_dim) + Pairwise H-squared statistic. Useful to see which feature pair has + strongest relative interation (relative with respect to joint effect). + Calculated as numerator_pairwise / denominator_pairwise. References ---------- @@ -104,8 +116,7 @@ def hstatistics( 2008. <10.1214/07-AOAS148>` Examples - ---------- - + -------- >>> from sklearn.ensemble import HistGradientBoostingRegressor >>> from sklearn.inspection import permutation_importance >>> from sklearn.datasets import load_diabetes @@ -118,10 +129,12 @@ def hstatistics( >>> top_3 = np.argsort(imp.importances_mean)[-3:] >>> hstatistics(est, X=X, features=top_3, random_state=4) - >>> For features 3 and 2, ~4% of joint effect variability comes from interaction: - >>> [(3, 2, 50.42733968603663, 0.043352605995576346), - >>> (3, 8, 20.34764277579143, 0.015648706966531766), - >>> (2, 8, 56.778288912326026, 0.025823266523399196)] + >>> # For feature pair (3, 2), about 4% of joint effect variability comes from + >>> # their interaction. Unnormalized statistics are highest for pair (2, 8): + >>> {'feature_pair': [(3, 2), (3, 8), (2, 8)], + >>> 'numerator_pairwise': array([50.42733969, 20.34764278, 56.77828891]), + >>> 'denominator_pairwise': array([1163.19050558, 1300.27629882, 2198.72605431]), + >>> 'hsquared_pairwise': array([0.04335261, 0.01564871, 0.02582327])} """ check_is_fitted(estimator) @@ -160,7 +173,11 @@ def hstatistics( ) ) - stats = [] + hstats_results = Bunch() + hstats_results["feature_pair"] = list(itertools.combinations(features, 2)) + num = [] + denom = [] + for i, j in itertools.combinations(range(len(feature_indices)), 2): pd_bivariate = _calculate_pd_over_data( estimator, @@ -168,12 +185,19 @@ def hstatistics( feature_indices=feature_indices[[i, j]], sample_weight=sample_weight, ) - numerator = np.average( - (pd_bivariate - pd_univariate[i] - pd_univariate[j]) ** 2, - axis=0, - weights=sample_weight, + num.append( + np.average( + (pd_bivariate - pd_univariate[i] - pd_univariate[j]) ** 2, + axis=0, + weights=sample_weight, + ) ) - denominator = np.average(pd_bivariate**2, axis=0, weights=sample_weight) - stats.append((features[i], features[j], numerator, numerator / denominator)) + denom.append(np.average(pd_bivariate**2, axis=0, weights=sample_weight)) + + hstats_results["numerator_pairwise"] = np.array(num) + hstats_results["denominator_pairwise"] = np.array(denom) + hstats_results["hsquared_pairwise"] = ( + hstats_results["numerator_pairwise"] / hstats_results["denominator_pairwise"] + ) - return stats + return hstats_results From 032e6615d33f38f2791e3074681ca5e26a74d5e0 Mon Sep 17 00:00:00 2001 From: mayer79 Date: Thu, 8 Feb 2024 10:52:07 +0100 Subject: [PATCH 09/66] Clip small numerators --- sklearn/inspection/_friedmans_h.py | 18 ++++++++++++++++-- 1 file changed, 16 insertions(+), 2 deletions(-) diff --git a/sklearn/inspection/_friedmans_h.py b/sklearn/inspection/_friedmans_h.py index 5ecd275d654d7..abb9d2a2d9be1 100644 --- a/sklearn/inspection/_friedmans_h.py +++ b/sklearn/inspection/_friedmans_h.py @@ -51,7 +51,14 @@ def _calculate_pd_over_data(estimator, X, feature_indices, sample_weight=None): def hstatistics( - estimator, X, *, features=None, n_max=500, random_state=None, sample_weight=None + estimator, + X, + *, + features=None, + n_max=500, + random_state=None, + sample_weight=None, + eps=1e-10 ): """Friedman and Popescu's H-statistics of pairwise interaction strength. @@ -90,6 +97,9 @@ def hstatistics( sample_weight : array-like of shape (n_samples,), default=None Sample weights used in calculating partial dependences. + eps : float, default=1e-10 + Threshold below which numerator values are set to 0. + Returns ------- result : :class:`~sklearn.utils.Bunch` @@ -194,7 +204,11 @@ def hstatistics( ) denom.append(np.average(pd_bivariate**2, axis=0, weights=sample_weight)) - hstats_results["numerator_pairwise"] = np.array(num) + # Round small numerators to 0 + num = np.array(num) + num[np.abs(num) < eps] = 0 + + hstats_results["numerator_pairwise"] = num hstats_results["denominator_pairwise"] = np.array(denom) hstats_results["hsquared_pairwise"] = ( hstats_results["numerator_pairwise"] / hstats_results["denominator_pairwise"] From 1335f0569654fc25eae697006a1d055f91f72703 Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Fri, 9 Feb 2024 11:35:00 +0100 Subject: [PATCH 10/66] Apply suggestions from code review Co-authored-by: Christian Lorentzen --- sklearn/inspection/_friedmans_h.py | 18 +++++++++--------- 1 file changed, 9 insertions(+), 9 deletions(-) diff --git a/sklearn/inspection/_friedmans_h.py b/sklearn/inspection/_friedmans_h.py index abb9d2a2d9be1..2e36bec9b8d54 100644 --- a/sklearn/inspection/_friedmans_h.py +++ b/sklearn/inspection/_friedmans_h.py @@ -50,7 +50,7 @@ def _calculate_pd_over_data(estimator, X, feature_indices, sample_weight=None): return averaged_predictions - column_means -def hstatistics( +def h_statistics( estimator, X, *, @@ -58,7 +58,7 @@ def hstatistics( n_max=500, random_state=None, sample_weight=None, - eps=1e-10 + eps=1e-10, ): """Friedman and Popescu's H-statistics of pairwise interaction strength. @@ -69,10 +69,10 @@ def hstatistics( is on the scale of the predictions and can directly compared between feature pairs. - The complexity of the function is of O(n^2 p^2), where n is the number of - data rows and p is the number of features considered. - The size of n is automatically controlled via `n_max=500`, while it is - your responsibility to pass only 2-5 *important* features or features of + The complexity of the function is :math:`O(n^2 n^2)`, where :math:`n` is the number of + data rows and :math:`p` is the number of features considered. + The size of `n` is automatically controlled via `n_max=500`, while it is + the user's responsibility to pass only 2-5 *important* features or features of special interest. Parameters @@ -105,8 +105,8 @@ def hstatistics( result : :class:`~sklearn.utils.Bunch` Dictionary-like object, with the following attributes. - feature_pair : ndarray of shape (n_feature_pairs, ) - Contains feature pair tuples in the same order as pairwise statistics. + feature_pair : list of length n_feature_pairs + The list contains tuples of feature pairs (indices) in the same order as pairwise statistics. numerator_pairwise : ndarray of shape (n_pairs, ) or (n_pairs, output_dim) Numerator of pairwise H-squared statistic. Useful to see which feature pair has strongest absolute interaction. @@ -171,7 +171,7 @@ def hstatistics( features = feature_indices = np.arange(X.shape[1]) else: feature_indices = np.asarray( - _get_column_indices(X, features), dtype="int32", order="C" + _get_column_indices(X, features), dtype=np.int32, order="C" ).ravel() # CALCULATIONS From a28e8e00878b5be1ea14eb5387a212b30874b077 Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Fri, 9 Feb 2024 12:03:17 +0100 Subject: [PATCH 11/66] use sample_without_replacement, plus some docstring improvements --- sklearn/inspection/_friedmans_h.py | 38 +++++++++++++++--------------- 1 file changed, 19 insertions(+), 19 deletions(-) diff --git a/sklearn/inspection/_friedmans_h.py b/sklearn/inspection/_friedmans_h.py index 2e36bec9b8d54..4c09afa55c147 100644 --- a/sklearn/inspection/_friedmans_h.py +++ b/sklearn/inspection/_friedmans_h.py @@ -4,8 +4,8 @@ import numpy as np -from ..ensemble._bagging import _generate_indices -from ..utils import _get_column_indices, _safe_assign, _safe_indexing, Bunch +from ..utils import Bunch, _get_column_indices, _safe_assign, _safe_indexing +from ..utils.random import sample_without_replacement from ..utils.validation import _check_sample_weight, check_is_fitted @@ -69,11 +69,10 @@ def h_statistics( is on the scale of the predictions and can directly compared between feature pairs. - The complexity of the function is :math:`O(n^2 n^2)`, where :math:`n` is the number of - data rows and :math:`p` is the number of features considered. + The complexity of the function is :math:`O(n^2 n^2)`, where :math:`n` is + the number of observations and :math:`p` is the number of features considered. The size of `n` is automatically controlled via `n_max=500`, while it is - the user's responsibility to pass only 2-5 *important* features or features of - special interest. + the user's responsibility to select some *important* features. Parameters ---------- @@ -106,13 +105,17 @@ def h_statistics( Dictionary-like object, with the following attributes. feature_pair : list of length n_feature_pairs - The list contains tuples of feature pairs (indices) in the same order as pairwise statistics. + The list contains tuples of feature pairs (indices) in the same order + as pairwise statistics. + numerator_pairwise : ndarray of shape (n_pairs, ) or (n_pairs, output_dim) Numerator of pairwise H-squared statistic. Useful to see which feature pair has strongest absolute interaction. Take square-root to get values on the scale of the predictions. + denominator_pairwise : ndarray of shape (n_pairs, ) or (n_pairs, output_dim) Denominator of pairwise H-squared statistic. + hsquared_pairwise : ndarray of shape (n_pairs, ) or (n_pairs, output_dim) Pairwise H-squared statistic. Useful to see which feature pair has strongest relative interation (relative with respect to joint effect). @@ -137,14 +140,14 @@ def h_statistics( >>> # Get Friedman's H-squared for top three predictors >>> imp = permutation_importance(est, X, y, n_repeats=10, random_state=0) >>> top_3 = np.argsort(imp.importances_mean)[-3:] - >>> hstatistics(est, X=X, features=top_3, random_state=4) + >>> h_statistics(est, X=X, features=top_3, random_state=4) - >>> # For feature pair (3, 2), about 4% of joint effect variability comes from + >>> # For feature pair (3, 2), about 4% of joint effect variability comes from >>> # their interaction. Unnormalized statistics are highest for pair (2, 8): - >>> {'feature_pair': [(3, 2), (3, 8), (2, 8)], - >>> 'numerator_pairwise': array([50.42733969, 20.34764278, 56.77828891]), - >>> 'denominator_pairwise': array([1163.19050558, 1300.27629882, 2198.72605431]), - >>> 'hsquared_pairwise': array([0.04335261, 0.01564871, 0.02582327])} + >>> # {'feature_pair': [(3, 2), (3, 8), (2, 8)], + >>> # 'numerator_pairwise': array([50.42733969, 20.34764278, 56.77828891]), + >>> # 'denominator_pairwise': array([1163.19050558, 1300.27629882, 2198.72605431]), + >>> # 'hsquared_pairwise': array([0.04335261, 0.01564871, 0.02582327])} """ check_is_fitted(estimator) @@ -154,11 +157,8 @@ def h_statistics( # Usually, the data is too large and we need subsampling if X.shape[0] > n_max: - row_indices = _generate_indices( - random_state=random_state, - bootstrap=False, - n_population=X.shape[0], - n_samples=n_max, + row_indices = sample_without_replacement( + n_population=X.shape[0], n_samples=n_max, random_state=random_state ) X = _safe_indexing(X, row_indices, axis=0) if sample_weight is not None: @@ -203,7 +203,7 @@ def h_statistics( ) ) denom.append(np.average(pd_bivariate**2, axis=0, weights=sample_weight)) - + # Round small numerators to 0 num = np.array(num) num[np.abs(num) < eps] = 0 From 66f7bdd87dc8d9073ab109c82e596327b7d514fb Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Fri, 9 Feb 2024 12:53:36 +0100 Subject: [PATCH 12/66] fix existing problems --- sklearn/inspection/_friedmans_h.py | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/sklearn/inspection/_friedmans_h.py b/sklearn/inspection/_friedmans_h.py index 4c09afa55c147..2b0c750a2d5f0 100644 --- a/sklearn/inspection/_friedmans_h.py +++ b/sklearn/inspection/_friedmans_h.py @@ -23,7 +23,7 @@ def _calculate_pd_over_data(estimator, X, feature_indices, sample_weight=None): try: compressed = True grid, ix_reconstruct = np.unique(grid, return_inverse=True, axis=0) - except: + except TypeError: # TODO Better solution compressed = False n_grid = grid.shape[0] @@ -130,6 +130,7 @@ def h_statistics( Examples -------- + >>> import numpy as np >>> from sklearn.ensemble import HistGradientBoostingRegressor >>> from sklearn.inspection import permutation_importance >>> from sklearn.datasets import load_diabetes From 5beb941a3fd43647fd5299b75d854a51c76c07e1 Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Fri, 9 Feb 2024 15:24:14 +0100 Subject: [PATCH 13/66] Rename things and fix imports --- sklearn/inspection/__init__.py | 3 +- .../{_friedmans_h.py => _h_statistic.py} | 40 +++++++++---------- 2 files changed, 22 insertions(+), 21 deletions(-) rename sklearn/inspection/{_friedmans_h.py => _h_statistic.py} (85%) diff --git a/sklearn/inspection/__init__.py b/sklearn/inspection/__init__.py index f8e08785e8358..1af20d6f22b25 100644 --- a/sklearn/inspection/__init__.py +++ b/sklearn/inspection/__init__.py @@ -1,12 +1,13 @@ """The :mod:`sklearn.inspection` module includes tools for model inspection.""" - +from ._h_statistic import h_statistic from ._partial_dependence import partial_dependence from ._permutation_importance import permutation_importance from ._plot.decision_boundary import DecisionBoundaryDisplay from ._plot.partial_dependence import PartialDependenceDisplay __all__ = [ + "h_statistic", "partial_dependence", "permutation_importance", "PartialDependenceDisplay", diff --git a/sklearn/inspection/_friedmans_h.py b/sklearn/inspection/_h_statistic.py similarity index 85% rename from sklearn/inspection/_friedmans_h.py rename to sklearn/inspection/_h_statistic.py index 2b0c750a2d5f0..f9af5acbefe67 100644 --- a/sklearn/inspection/_friedmans_h.py +++ b/sklearn/inspection/_h_statistic.py @@ -1,4 +1,4 @@ -"""Friedman and Popescu's H-squared statistics""" +"""Friedman and Popescu's H-Statistic""" import itertools @@ -50,7 +50,7 @@ def _calculate_pd_over_data(estimator, X, feature_indices, sample_weight=None): return averaged_predictions - column_means -def h_statistics( +def h_statistic( estimator, X, *, @@ -60,14 +60,14 @@ def h_statistics( sample_weight=None, eps=1e-10, ): - """Friedman and Popescu's H-statistics of pairwise interaction strength. + """Friedman and Popescu's H-statistic of pairwise interaction strength. - For each feature pair, Friedman and Popescu's H-squared statistic [FRI]_ of - interaction is calculated. It equals the proportion of effect variability - of the two features unexplained by the main effects. Besides the "official" - H-squared statistic, also the unnormalized statistic is returned. Its root - is on the scale of the predictions and can directly compared between feature - pairs. + For each feature pair, Friedman and Popescu's H-statistic of + interaction strength [FRI]_ is calculated. It equals the proportion of + effect variability of the two features unexplained by their main effects. + Besides the (normalized) H-squared statistic, also the unnormalized statistic + is returned. Its root is on the scale of the predictions, and can directly + be compared between feature pairs. The complexity of the function is :math:`O(n^2 n^2)`, where :math:`n` is the number of observations and :math:`p` is the number of features considered. @@ -106,7 +106,7 @@ def h_statistics( feature_pair : list of length n_feature_pairs The list contains tuples of feature pairs (indices) in the same order - as pairwise statistics. + as all pairwise statistics. numerator_pairwise : ndarray of shape (n_pairs, ) or (n_pairs, output_dim) Numerator of pairwise H-squared statistic. @@ -132,7 +132,7 @@ def h_statistics( -------- >>> import numpy as np >>> from sklearn.ensemble import HistGradientBoostingRegressor - >>> from sklearn.inspection import permutation_importance + >>> from sklearn.inspection import permutation_importance, h_statistic >>> from sklearn.datasets import load_diabetes >>> X, y = load_diabetes(return_X_y=True) @@ -141,14 +141,14 @@ def h_statistics( >>> # Get Friedman's H-squared for top three predictors >>> imp = permutation_importance(est, X, y, n_repeats=10, random_state=0) >>> top_3 = np.argsort(imp.importances_mean)[-3:] - >>> h_statistics(est, X=X, features=top_3, random_state=4) + >>> h_statistic(est, X=X, features=top_3, random_state=4) >>> # For feature pair (3, 2), about 4% of joint effect variability comes from >>> # their interaction. Unnormalized statistics are highest for pair (2, 8): >>> # {'feature_pair': [(3, 2), (3, 8), (2, 8)], >>> # 'numerator_pairwise': array([50.42733969, 20.34764278, 56.77828891]), >>> # 'denominator_pairwise': array([1163.19050558, 1300.27629882, 2198.72605431]), - >>> # 'hsquared_pairwise': array([0.04335261, 0.01564871, 0.02582327])} + >>> # 'h_squared_pairwise': array([0.04335261, 0.01564871, 0.02582327])} """ check_is_fitted(estimator) @@ -184,8 +184,8 @@ def h_statistics( ) ) - hstats_results = Bunch() - hstats_results["feature_pair"] = list(itertools.combinations(features, 2)) + hstat_results = Bunch() + hstat_results["feature_pair"] = list(itertools.combinations(features, 2)) num = [] denom = [] @@ -209,10 +209,10 @@ def h_statistics( num = np.array(num) num[np.abs(num) < eps] = 0 - hstats_results["numerator_pairwise"] = num - hstats_results["denominator_pairwise"] = np.array(denom) - hstats_results["hsquared_pairwise"] = ( - hstats_results["numerator_pairwise"] / hstats_results["denominator_pairwise"] + hstat_results["numerator_pairwise"] = num + hstat_results["denominator_pairwise"] = np.array(denom) + hstat_results["h_squared_pairwise"] = ( + hstat_results["numerator_pairwise"] / hstat_results["denominator_pairwise"] ) - return hstats_results + return hstat_results From 9823fe547e61a7ffc5befe97409b946d5aab107c Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Sat, 10 Feb 2024 11:16:58 +0100 Subject: [PATCH 14/66] More compact output organization, faster example --- sklearn/inspection/_h_statistic.py | 54 ++++++++++++++---------------- 1 file changed, 26 insertions(+), 28 deletions(-) diff --git a/sklearn/inspection/_h_statistic.py b/sklearn/inspection/_h_statistic.py index f9af5acbefe67..b719213874c98 100644 --- a/sklearn/inspection/_h_statistic.py +++ b/sklearn/inspection/_h_statistic.py @@ -134,21 +134,23 @@ def h_statistic( >>> from sklearn.ensemble import HistGradientBoostingRegressor >>> from sklearn.inspection import permutation_importance, h_statistic >>> from sklearn.datasets import load_diabetes - + >>> >>> X, y = load_diabetes(return_X_y=True) - >>> est = HistGradientBoostingRegressor().fit(X, y) - - >>> # Get Friedman's H-squared for top three predictors - >>> imp = permutation_importance(est, X, y, n_repeats=10, random_state=0) - >>> top_3 = np.argsort(imp.importances_mean)[-3:] - >>> h_statistic(est, X=X, features=top_3, random_state=4) - - >>> # For feature pair (3, 2), about 4% of joint effect variability comes from - >>> # their interaction. Unnormalized statistics are highest for pair (2, 8): - >>> # {'feature_pair': [(3, 2), (3, 8), (2, 8)], - >>> # 'numerator_pairwise': array([50.42733969, 20.34764278, 56.77828891]), - >>> # 'denominator_pairwise': array([1163.19050558, 1300.27629882, 2198.72605431]), - >>> # 'h_squared_pairwise': array([0.04335261, 0.01564871, 0.02582327])} + >>> est = HistGradientBoostingRegressor(max_iter=5, max_depth=2).fit(X, y) + >>> + >>> # Get Friedman's H-squared for top m=3 predictors + >>> m = 3 + >>> imp = permutation_importance(est, X, y, random_state=0) + >>> top_m = np.argsort(imp.importances_mean)[-m:] + >>> h_statistic(est, X=X, features=top_m, random_state=4) + + >>> # For features (8, 2), 3.4% of the joint effect variability comes from + >>> # their interaction. These two features also have strongest absolute + >>> # interaction, see "numerator_pairwise": + >>> # {'feature_pair': [(3, 8), (3, 2), (8, 2)], + >>> # 'numerator_pairwise': array([ 1.2955532 , 1.2419687 , 11.13358385]), + >>> # 'denominator_pairwise': array([131.39690331, 133.96210997, 323.6576595 ]), + >>> # 'h_squared_pairwise': array([0.00985985, 0.00927104, 0.03439926])} """ check_is_fitted(estimator) @@ -172,7 +174,7 @@ def h_statistic( features = feature_indices = np.arange(X.shape[1]) else: feature_indices = np.asarray( - _get_column_indices(X, features), dtype=np.int32, order="C" + _get_column_indices(X, features), dtype=np.intp, order="C" ).ravel() # CALCULATIONS @@ -184,10 +186,7 @@ def h_statistic( ) ) - hstat_results = Bunch() - hstat_results["feature_pair"] = list(itertools.combinations(features, 2)) - num = [] - denom = [] + num, denom = [], [] for i, j in itertools.combinations(range(len(feature_indices)), 2): pd_bivariate = _calculate_pd_over_data( @@ -205,14 +204,13 @@ def h_statistic( ) denom.append(np.average(pd_bivariate**2, axis=0, weights=sample_weight)) - # Round small numerators to 0 num = np.array(num) - num[np.abs(num) < eps] = 0 - - hstat_results["numerator_pairwise"] = num - hstat_results["denominator_pairwise"] = np.array(denom) - hstat_results["h_squared_pairwise"] = ( - hstat_results["numerator_pairwise"] / hstat_results["denominator_pairwise"] + num[np.abs(num) < eps] = 0 # Round small numerators to 0 + denom = np.array(denom) + + return Bunch( + feature_pair=list(itertools.combinations(features, 2)), + numerator_pairwise=num, + denominator_pairwise=denom, + h_squared_pairwise=num / denom, ) - - return hstat_results From 5aebb4c435c166ca881a3b651f88d44d5c90a0a1 Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Sat, 10 Feb 2024 12:03:54 +0100 Subject: [PATCH 15/66] Add formula to docstring --- sklearn/inspection/_h_statistic.py | 33 ++++++++++++++++++++---------- 1 file changed, 22 insertions(+), 11 deletions(-) diff --git a/sklearn/inspection/_h_statistic.py b/sklearn/inspection/_h_statistic.py index b719213874c98..b32814a86e41a 100644 --- a/sklearn/inspection/_h_statistic.py +++ b/sklearn/inspection/_h_statistic.py @@ -62,17 +62,28 @@ def h_statistic( ): """Friedman and Popescu's H-statistic of pairwise interaction strength. - For each feature pair, Friedman and Popescu's H-statistic of - interaction strength [FRI]_ is calculated. It equals the proportion of - effect variability of the two features unexplained by their main effects. - Besides the (normalized) H-squared statistic, also the unnormalized statistic - is returned. Its root is on the scale of the predictions, and can directly - be compared between feature pairs. - - The complexity of the function is :math:`O(n^2 n^2)`, where :math:`n` is - the number of observations and :math:`p` is the number of features considered. - The size of `n` is automatically controlled via `n_max=500`, while it is - the user's responsibility to select some *important* features. + Calculates Friedman and Popescu's H-statistic of interaction strength + for each feature pair j, k, see [FRI]_. The statistic is defined as:: + + H_jk^2 = Numerator_jk / Denominator_jk, where + + - Numerator_jk = 1/n * sum(PD_{jk}(x_ij, x_ik) - PD_j(x_ij) - PD_k(x_ik)^2, + - Denominator_jk = 1/n * sum(PD_{jk}(x_ij, x_ik)^2), + - PD_j and PD_jk are the one- and two-dimensional partial dependence + functions centered to mean 0, + - and the sums run over 1 <= i <= n, where n is the sample size. + + It equals the proportion of effect variability between two features that cannot + be explained by their main effects. When there is no interaction, the value is + precisely 0. The numerator (or its square root) provides an absolute measure + of interaction strength, enabling direct comparison across feature pairs. + + The computational complexity of :term:`h_statistic()` is :math:`O(p^2 n^2)`, + where :math:`p` denotes the number of features considered. The size of `n` is + automatically controlled via `n_max=500`, while it is the user's responsibility + to select only a subset of *important* features. It is crucial to focus on important + features because for weak predictors, the denominator might be small, and + even a weak interaction could result in a high Friedman's H, sometimes exceeding 1. Parameters ---------- From 36ed7a8cbc3973bf28ccd70a7e80b2408c960286 Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Sat, 10 Feb 2024 22:14:22 +0100 Subject: [PATCH 16/66] Add preliminary unit tests --- sklearn/inspection/tests/test_h_statistic.py | 132 +++++++++++++++++++ 1 file changed, 132 insertions(+) create mode 100644 sklearn/inspection/tests/test_h_statistic.py diff --git a/sklearn/inspection/tests/test_h_statistic.py b/sklearn/inspection/tests/test_h_statistic.py new file mode 100644 index 0000000000000..0ee8837e2afb1 --- /dev/null +++ b/sklearn/inspection/tests/test_h_statistic.py @@ -0,0 +1,132 @@ +import numpy as np +import pytest +from numpy.testing import assert_allclose + +from sklearn.base import clone +from sklearn.datasets import make_classification, make_regression +from sklearn.ensemble import ( + HistGradientBoostingRegressor, + RandomForestClassifier, + RandomForestRegressor, +) +from sklearn.inspection import h_statistic +from sklearn.linear_model import LinearRegression + + +@pytest.mark.parametrize( + "est", + ( + LinearRegression(), + HistGradientBoostingRegressor(random_state=0, max_depth=1, max_iter=20), + ), +) +@pytest.mark.parametrize("features", [None, [0, 1, 2]]) +@pytest.mark.parametrize("n_max", [500, 50]) +@pytest.mark.parametrize("sample_weight", [None, "ones"]) +def test_h_statistic_additive_regression(est, features, n_max, sample_weight): + # Checks that additive regressions get statistics of 0. + M_FEAT = 4 + N = 200 + X, y = make_regression(n_samples=N, n_features=M_FEAT, random_state=0) + w = np.ones(N) if sample_weight == "ones" else None + + model = est.fit(X, y, sample_weight=w) + result = h_statistic( + model, X, features=features, random_state=1, n_max=n_max, sample_weight=w + ) + + m = M_FEAT if features is None else len(features) + expected_length = m * (m - 1) / 2 + + assert result.h_squared_pairwise.shape == (expected_length,) + assert_allclose(result.h_squared_pairwise, 0) + + +def test_h_statistic_additive_classification(): + # Checks that additive classification gets statistics of 0. The presence + # of link functions (especially for GradientBoosting with more than 2 classes) + # would make further tests tricky. + M_FEAT = 4 + N_CLASSES = 4 + X, y = make_classification( + n_samples=200, + n_features=M_FEAT, + n_informative=M_FEAT, + n_redundant=0, + n_classes=N_CLASSES, + random_state=0, + ) + model = RandomForestClassifier(n_estimators=20, random_state=0, max_depth=1) + model.fit(X, y) + result = h_statistic(model, X, random_state=1) + + expected_length = M_FEAT * (M_FEAT - 1) / 2 + + assert result.h_squared_pairwise.shape == (expected_length, N_CLASSES) + print(result) + assert_allclose(result.h_squared_pairwise, 0) + + +@pytest.mark.parametrize( + "est", + ( + RandomForestRegressor(random_state=0, max_depth=4, n_estimators=20), + HistGradientBoostingRegressor(random_state=0, max_iter=20), + ), +) +@pytest.mark.parametrize("features", [None, [0, 1, 2]]) +@pytest.mark.parametrize("n_max", [500, 50]) +@pytest.mark.parametrize("sample_weight", [None, "ones"]) +def test_h_statistic_regression(est, features, n_max, sample_weight): + # Tests that models with interactions will produce (some) positive values. + M_FEAT = 4 + N = 200 + X, y = make_regression(n_samples=N, n_features=M_FEAT, random_state=0) + w = np.ones(N) if sample_weight == "ones" else None + + model = est.fit(X, y, sample_weight=w) + result = h_statistic( + model, X, features=features, random_state=1, n_max=n_max, sample_weight=w + ) + + assert any(result.h_squared_pairwise > 1e-5) + + +@pytest.mark.parametrize("sample_weight", [None, "ones"]) +@pytest.mark.parametrize("n_max", [500, 50]) +def test_h_statistic_equivalence_array_dataframe(n_max, sample_weight): + # Checks that index operations give the same for numpy arrays or dataframes. + pd = pytest.importorskip("pandas") + + N = 200 + X, y = make_regression(n_samples=N, n_features=4, random_state=0) + X_df = pd.DataFrame(X) + w = np.ones(N) if sample_weight == "ones" else None + + # Numpy + model_np = RandomForestRegressor(random_state=0, max_depth=4, n_estimators=20) + model_np.fit(X, y, sample_weight=w) + result_np = h_statistic(model_np, X, random_state=1, n_max=n_max, sample_weight=w) + + # Pandas + model_pd = clone(model_np) + model_pd.fit(X_df, y, sample_weight=w) + result_pd = h_statistic( + model_pd, X_df, random_state=1, n_max=n_max, sample_weight=w + ) + + assert_allclose(result_np.h_squared_pairwise, result_pd.h_squared_pairwise) + + +def test_h_statistic_reflect_interaction_constraints(): + # Checks that interaction constraints are reflected. + X, y = make_regression(n_samples=200, n_features=4, random_state=0) + + model = HistGradientBoostingRegressor( + random_state=0, max_iter=20, interaction_cst=[[0, 1], [2], [3]] + ) + model.fit(X, y) + result = h_statistic(model, X, random_state=1) + + assert result.h_squared_pairwise[0] > 1e-5 + assert_allclose(result.h_squared_pairwise[1:], 0) From 27e35407c2e65e0284df9a557b1e096f00198637 Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Sun, 11 Feb 2024 18:29:13 +0100 Subject: [PATCH 17/66] Compare against two R packages --- sklearn/inspection/tests/test_h_statistic.py | 41 +++++++++++++++++++- 1 file changed, 40 insertions(+), 1 deletion(-) diff --git a/sklearn/inspection/tests/test_h_statistic.py b/sklearn/inspection/tests/test_h_statistic.py index 0ee8837e2afb1..5d8a5b74631ca 100644 --- a/sklearn/inspection/tests/test_h_statistic.py +++ b/sklearn/inspection/tests/test_h_statistic.py @@ -2,7 +2,7 @@ import pytest from numpy.testing import assert_allclose -from sklearn.base import clone +from sklearn.base import RegressorMixin, clone from sklearn.datasets import make_classification, make_regression from sklearn.ensemble import ( HistGradientBoostingRegressor, @@ -130,3 +130,42 @@ def test_h_statistic_reflect_interaction_constraints(): assert result.h_squared_pairwise[0] > 1e-5 assert_allclose(result.h_squared_pairwise[1:], 0) + + +def test_h_statistic_matches_other_implementations(): + # Checks for one specific example that the result matches the one from two + # independent R packages ({iml} of Christoph Molnar, {hstats} of Michael Mayer). + # The latter also allows for sample weights. + # X <- data.frame(x1 = c(1, 1, 1, 2), x2 = c(0, 0, 2, 1), x3 = c(2, 2, 1, 4)) + # pred_fun <- function(model, newdata) + # newdata[, 1] + newdata[, 2] * sqrt(newdata[, 3]) + # + # library(iml) # 0.11.1 + # mod <- Predictor$new(data = X, predict.function = pred_fun) + # Interaction$new(mod, grid.size = 5, feature = "x3")$results$.interaction^2 + # -> x2:x3 -> 0.078125 + # + # library(hstats) # 1.1.2 + # h2_pairwise(hstats(X = X, pred_fun = pred_fun)) # x2:x3 -> 0.078125 + # h2_pairwise(hstats(X = X, pred_fun = pred_fun, w = 0:3)) # weights -> 0.1010093 + class Deterministic(RegressorMixin): + def __init__(self, pred_fun): + self._pred_fun = pred_fun + self.is_fitted_ = True + + def fit(self, *args, **kwargs): + return self + + def predict(self, X): + return self._pred_fun(X) + + X = np.array([[1, 1, 1, 2], [0, 0, 2, 1], [2, 2, 1, 4]]).T + + # Model with interaction in last feature pair + model = Deterministic(lambda X: X[:, 0] + X[:, 1] * np.sqrt(X[:, 2])) + + assert_allclose(h_statistic(model, X=X).h_squared_pairwise[2], 0.078125) + assert_allclose( + h_statistic(model, X=X, sample_weight=range(4)).h_squared_pairwise[2], + 0.1010093, + ) From e5f6e53e6cb9bc0278ba927cab60ab4855ebae94 Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Mon, 12 Feb 2024 17:42:26 +0100 Subject: [PATCH 18/66] Split calculate_pd_over_data into two plus some optimizations --- sklearn/inspection/_h_statistic.py | 101 +++++++++++++++++++---------- 1 file changed, 67 insertions(+), 34 deletions(-) diff --git a/sklearn/inspection/_h_statistic.py b/sklearn/inspection/_h_statistic.py index b32814a86e41a..dbec153a71e68 100644 --- a/sklearn/inspection/_h_statistic.py +++ b/sklearn/inspection/_h_statistic.py @@ -4,50 +4,82 @@ import numpy as np +from ..base import is_classifier, is_regressor from ..utils import Bunch, _get_column_indices, _safe_assign, _safe_indexing from ..utils.random import sample_without_replacement from ..utils.validation import _check_sample_weight, check_is_fitted +def _calculate_pd_brute_fast(estimator, X, feature_indices, grid, sample_weight=None): + """Fast version of _calculate_partial_dependence_brute() + + Returns np.array of size (n_grid, ) or (n_ngrid, output_dimension). + """ + + if is_regressor(estimator): + pred_fun = estimator.predict + elif is_classifier(estimator) and hasattr(estimator, "predict_proba"): + pred_fun = estimator.predict_proba + else: + raise ValueError("The estimator has no predict or predict_proba method.") + + # X is stacked n_grid times, and grid columns are replaced by replicated grid + n = X.shape[0] + n_grid = grid.shape[0] + X_eval = X.copy() + + X_stacked = _safe_indexing(X_eval, np.tile(np.arange(n), n_grid), axis=0) + grid_stacked = _safe_indexing(grid, np.repeat(np.arange(n_grid), n), axis=0) + _safe_assign(X_stacked, values=grid_stacked, column_indexer=feature_indices) + + # Predict on stacked data. Pick positive class probs for binary classification + preds = pred_fun(X_stacked) + if is_classifier(estimator) and preds.shape[1] == 2: + preds = preds[:, 1] + + # Partial dependences are averages per grid block + pd_values = [ + np.average(Z, axis=0, weights=sample_weight) for Z in np.split(preds, n_grid) + ] + + return np.array(pd_values) + + def _calculate_pd_over_data(estimator, X, feature_indices, sample_weight=None): - """Calculates partial dependence over the data distribution. + """Calculates centered partial dependence over the data distribution. - It returns a 1D or 2D numpy array of the same length as X. + It returns a numpy array of size (n, ) or (n, output_dimension). """ # Select grid columns and remove duplicates (will compensate below) grid = _safe_indexing(X, feature_indices, axis=1) - # Unfortunately, the next line does not work in all cases, especially not in - # the important case of discrete pandas Dataframes. + # np.unique() fails for mixed type and sparse objects try: - compressed = True - grid, ix_reconstruct = np.unique(grid, return_inverse=True, axis=0) - except TypeError: # TODO Better solution - compressed = False - n_grid = grid.shape[0] - - # X is stacked n_grid times, and grid columns are replaced by replicated grid - n = X.shape[0] - X_stacked = _safe_indexing(X, np.tile(np.arange(n), n_grid), axis=0) - _safe_assign( - X_stacked, values=np.repeat(grid, n, axis=0), column_indexer=feature_indices + ax = 0 if grid.shape[1] > 1 else None # np.unique works better in 1 dim + _, ix, ix_reconstruct = np.unique( + grid, return_index=True, return_inverse=True, axis=ax + ) + grid = _safe_indexing(grid, ix, axis=0) + compressed_grid = True + except (TypeError, np.AxisError): + compressed_grid = False + + pd_values = _calculate_pd_brute_fast( + estimator, + X=X, + feature_indices=feature_indices, + grid=grid, + sample_weight=sample_weight, ) - # Predict on stacked data - if hasattr(estimator, "predict_proba"): - preds = estimator.predict_proba(X_stacked) - else: - preds = estimator.predict(X_stacked) + if compressed_grid: + pd_values = pd_values[ix_reconstruct] - # Predictions are averaged by grid value, mapped to original row order, and centered - averaged_predictions = np.array( - [np.average(Z, axis=0, weights=sample_weight) for Z in np.split(preds, n_grid)] - ) - if compressed: - averaged_predictions = averaged_predictions[ix_reconstruct] - column_means = np.average(averaged_predictions, axis=0, weights=sample_weight) - return averaged_predictions - column_means + # H-statistics are based on *centered* partial dependences + column_means = np.average(pd_values, axis=0, weights=sample_weight) + + return pd_values - column_means def h_statistic( @@ -180,7 +212,6 @@ def h_statistic( else: X = X.copy() - # TODO: Improve logic, e.g., use column names if there are some if features is None: features = feature_indices = np.arange(X.shape[1]) else: @@ -197,18 +228,19 @@ def h_statistic( ) ) - num, denom = [], [] + num = [] + denom = [] - for i, j in itertools.combinations(range(len(feature_indices)), 2): + for j, k in itertools.combinations(range(len(feature_indices)), 2): pd_bivariate = _calculate_pd_over_data( estimator, X=X, - feature_indices=feature_indices[[i, j]], + feature_indices=feature_indices[[j, k]], sample_weight=sample_weight, ) num.append( np.average( - (pd_bivariate - pd_univariate[i] - pd_univariate[j]) ** 2, + (pd_bivariate - pd_univariate[j] - pd_univariate[k]) ** 2, axis=0, weights=sample_weight, ) @@ -218,10 +250,11 @@ def h_statistic( num = np.array(num) num[np.abs(num) < eps] = 0 # Round small numerators to 0 denom = np.array(denom) + h2_stat = np.divide(num, denom, out=np.zeros_like(num), where=denom > 0) return Bunch( feature_pair=list(itertools.combinations(features, 2)), + h_squared_pairwise=h2_stat, numerator_pairwise=num, denominator_pairwise=denom, - h_squared_pairwise=num / denom, ) From a2b659d3ebd0b5e1b86847b6b9241bb130b725c7 Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Mon, 12 Feb 2024 19:54:46 +0100 Subject: [PATCH 19/66] Fix typos in docstring --- sklearn/inspection/_h_statistic.py | 16 ++++++++-------- 1 file changed, 8 insertions(+), 8 deletions(-) diff --git a/sklearn/inspection/_h_statistic.py b/sklearn/inspection/_h_statistic.py index dbec153a71e68..4cbd8abf2c0a6 100644 --- a/sklearn/inspection/_h_statistic.py +++ b/sklearn/inspection/_h_statistic.py @@ -110,7 +110,7 @@ def h_statistic( precisely 0. The numerator (or its square root) provides an absolute measure of interaction strength, enabling direct comparison across feature pairs. - The computational complexity of :term:`h_statistic()` is :math:`O(p^2 n^2)`, + The computational complexity of the function is :math:`O(p^2 n^2)`, where :math:`p` denotes the number of features considered. The size of `n` is automatically controlled via `n_max=500`, while it is the user's responsibility to select only a subset of *important* features. It is crucial to focus on important @@ -137,7 +137,7 @@ def h_statistic( See :term:`Glossary `. sample_weight : array-like of shape (n_samples,), default=None - Sample weights used in calculating partial dependences. + Sample weights used in calculating partial dependencies. eps : float, default=1e-10 Threshold below which numerator values are set to 0. @@ -151,18 +151,18 @@ def h_statistic( The list contains tuples of feature pairs (indices) in the same order as all pairwise statistics. + h_squared_pairwise : ndarray of shape (n_pairs, ) or (n_pairs, output_dim) + Pairwise H-squared statistic. Useful to see which feature pair has + strongest relative interation (relative with respect to joint effect). + Calculated as numerator_pairwise / denominator_pairwise. + numerator_pairwise : ndarray of shape (n_pairs, ) or (n_pairs, output_dim) Numerator of pairwise H-squared statistic. Useful to see which feature pair has strongest absolute interaction. Take square-root to get values on the scale of the predictions. denominator_pairwise : ndarray of shape (n_pairs, ) or (n_pairs, output_dim) - Denominator of pairwise H-squared statistic. - - hsquared_pairwise : ndarray of shape (n_pairs, ) or (n_pairs, output_dim) - Pairwise H-squared statistic. Useful to see which feature pair has - strongest relative interation (relative with respect to joint effect). - Calculated as numerator_pairwise / denominator_pairwise. + Denominator of pairwise H-squared statistic (not of particular interest). References ---------- From 69111e3f145bd68ea30e738ca3805e206f1283b4 Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Mon, 12 Feb 2024 20:54:38 +0100 Subject: [PATCH 20/66] Fix example output in docstring --- sklearn/inspection/_h_statistic.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/sklearn/inspection/_h_statistic.py b/sklearn/inspection/_h_statistic.py index 4cbd8abf2c0a6..9a4930d051849 100644 --- a/sklearn/inspection/_h_statistic.py +++ b/sklearn/inspection/_h_statistic.py @@ -191,9 +191,9 @@ def h_statistic( >>> # their interaction. These two features also have strongest absolute >>> # interaction, see "numerator_pairwise": >>> # {'feature_pair': [(3, 8), (3, 2), (8, 2)], + >>> # 'h_squared_pairwise': array([0.00985985, 0.00927104, 0.03439926]), >>> # 'numerator_pairwise': array([ 1.2955532 , 1.2419687 , 11.13358385]), - >>> # 'denominator_pairwise': array([131.39690331, 133.96210997, 323.6576595 ]), - >>> # 'h_squared_pairwise': array([0.00985985, 0.00927104, 0.03439926])} + >>> # 'denominator_pairwise': array([131.39690331, 133.96210997, 323.6576595 ])} """ check_is_fitted(estimator) From 0416de3ef4fdc48b748f96c2cac4102db20e734c Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Sat, 13 Apr 2024 13:23:47 +0200 Subject: [PATCH 21/66] Apply suggestions from code review Co-authored-by: Christian Lorentzen --- sklearn/inspection/_h_statistic.py | 19 ++++++++++++++----- sklearn/inspection/tests/test_h_statistic.py | 1 - 2 files changed, 14 insertions(+), 6 deletions(-) diff --git a/sklearn/inspection/_h_statistic.py b/sklearn/inspection/_h_statistic.py index 9a4930d051849..e63112146bff3 100644 --- a/sklearn/inspection/_h_statistic.py +++ b/sklearn/inspection/_h_statistic.py @@ -92,9 +92,9 @@ def h_statistic( sample_weight=None, eps=1e-10, ): - """Friedman and Popescu's H-statistic of pairwise interaction strength. + """Friedman's and Popescu's H-statistic of pairwise interaction strength. - Calculates Friedman and Popescu's H-statistic of interaction strength + Calculates Friedman's and Popescu's H-statistic of interaction strength for each feature pair j, k, see [FRI]_. The statistic is defined as:: H_jk^2 = Numerator_jk / Denominator_jk, where @@ -107,7 +107,7 @@ def h_statistic( It equals the proportion of effect variability between two features that cannot be explained by their main effects. When there is no interaction, the value is - precisely 0. The numerator (or its square root) provides an absolute measure + exactly 0. The numerator (or its square root) provides an absolute measure of interaction strength, enabling direct comparison across feature pairs. The computational complexity of the function is :math:`O(p^2 n^2)`, @@ -122,7 +122,7 @@ def h_statistic( estimator : object An estimator that has already been :term:`fitted`. - X : ndarray or DataFrame, shape (n_observations, n_features) + X : {array-like or dataframe} of shape (n_samples, n_features) Data for which :term:`estimator` is able to calculate predictions. features : array-like of {int, str}, default=None @@ -162,7 +162,7 @@ def h_statistic( Take square-root to get values on the scale of the predictions. denominator_pairwise : ndarray of shape (n_pairs, ) or (n_pairs, output_dim) - Denominator of pairwise H-squared statistic (not of particular interest). + Denominator of pairwise H-squared statistic. Used for appropriate normalization of H. References ---------- @@ -198,6 +198,15 @@ def h_statistic( """ check_is_fitted(estimator) + if not (is_classifier(estimator) or is_regressor(estimator)): + raise ValueError("'estimator' must be a fitted regressor or classifier.") + + if is_classifier(estimator) and isinstance(estimator.classes_[0], np.ndarray): + raise ValueError("Multiclass-multioutput estimators are not supported") + # Use check_array only on lists and other non-array-likes / sparse. Do not + # convert DataFrame into a NumPy array. + if not (hasattr(X, "__array__") or sparse.issparse(X)): + X = check_array(X, force_all_finite="allow-nan", dtype=object) if sample_weight is not None: sample_weight = _check_sample_weight(sample_weight, X) diff --git a/sklearn/inspection/tests/test_h_statistic.py b/sklearn/inspection/tests/test_h_statistic.py index 5d8a5b74631ca..ea6b9d0fae656 100644 --- a/sklearn/inspection/tests/test_h_statistic.py +++ b/sklearn/inspection/tests/test_h_statistic.py @@ -63,7 +63,6 @@ def test_h_statistic_additive_classification(): expected_length = M_FEAT * (M_FEAT - 1) / 2 assert result.h_squared_pairwise.shape == (expected_length, N_CLASSES) - print(result) assert_allclose(result.h_squared_pairwise, 0) From 3fe5d6439132b2a09a869a240e7ccaeddbd783e7 Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Sat, 13 Apr 2024 14:29:40 +0200 Subject: [PATCH 22/66] More changed from review --- sklearn/inspection/_h_statistic.py | 56 ++++++++++++-------- sklearn/inspection/tests/test_h_statistic.py | 26 ++++----- 2 files changed, 48 insertions(+), 34 deletions(-) diff --git a/sklearn/inspection/_h_statistic.py b/sklearn/inspection/_h_statistic.py index e63112146bff3..2628ba5f36d86 100644 --- a/sklearn/inspection/_h_statistic.py +++ b/sklearn/inspection/_h_statistic.py @@ -1,11 +1,18 @@ -"""Friedman and Popescu's H-Statistic""" +"""Friedman's and Popescu's H-Statistic""" import itertools import numpy as np +from scipy import sparse from ..base import is_classifier, is_regressor -from ..utils import Bunch, _get_column_indices, _safe_assign, _safe_indexing +from ..utils import ( + Bunch, + _get_column_indices, + _safe_assign, + _safe_indexing, + check_array, +) from ..utils.random import sample_without_replacement from ..utils.validation import _check_sample_weight, check_is_fitted @@ -13,15 +20,19 @@ def _calculate_pd_brute_fast(estimator, X, feature_indices, grid, sample_weight=None): """Fast version of _calculate_partial_dependence_brute() - Returns np.array of size (n_grid, ) or (n_ngrid, output_dimension). + Returns np.array of size (n_grid, ) or (n_ngrid, output_dim). """ if is_regressor(estimator): - pred_fun = estimator.predict - elif is_classifier(estimator) and hasattr(estimator, "predict_proba"): - pred_fun = estimator.predict_proba - else: - raise ValueError("The estimator has no predict or predict_proba method.") + if hasattr(estimator, "predict"): + pred_fun = estimator.predict + else: + raise ValueError("The regressor has no predict() method.") + elif is_classifier(estimator): + if hasattr(estimator, "predict_proba"): + pred_fun = estimator.predict_proba + else: + raise ValueError("The classifier has no predict_proba() method.") # X is stacked n_grid times, and grid columns are replaced by replicated grid n = X.shape[0] @@ -48,7 +59,7 @@ def _calculate_pd_brute_fast(estimator, X, feature_indices, grid, sample_weight= def _calculate_pd_over_data(estimator, X, feature_indices, sample_weight=None): """Calculates centered partial dependence over the data distribution. - It returns a numpy array of size (n, ) or (n, output_dimension). + It returns a numpy array of size (n, ) or (n, output_dim). """ # Select grid columns and remove duplicates (will compensate below) @@ -85,11 +96,11 @@ def _calculate_pd_over_data(estimator, X, feature_indices, sample_weight=None): def h_statistic( estimator, X, - *, features=None, + *, + sample_weight=None, n_max=500, random_state=None, - sample_weight=None, eps=1e-10, ): """Friedman's and Popescu's H-statistic of pairwise interaction strength. @@ -110,8 +121,8 @@ def h_statistic( exactly 0. The numerator (or its square root) provides an absolute measure of interaction strength, enabling direct comparison across feature pairs. - The computational complexity of the function is :math:`O(p^2 n^2)`, - where :math:`p` denotes the number of features considered. The size of `n` is + The computational complexity of the function is `O(p^2 n^2)`, + where `p` denotes the number of features considered. The size of `n` is automatically controlled via `n_max=500`, while it is the user's responsibility to select only a subset of *important* features. It is crucial to focus on important features because for weak predictors, the denominator might be small, and @@ -129,6 +140,9 @@ def h_statistic( List of feature names or column indices used to calculate pairwise statistics. The default, None, will use all column indices of X. + sample_weight : array-like of shape (n_samples,), default=None + Sample weights used in calculating partial dependencies. + n_max : int, default=500 The number of rows to draw without replacement from X (and `sample_weight`). @@ -136,9 +150,6 @@ def h_statistic( Pseudo-random number generator used for subsampling via `n_max`. See :term:`Glossary `. - sample_weight : array-like of shape (n_samples,), default=None - Sample weights used in calculating partial dependencies. - eps : float, default=1e-10 Threshold below which numerator values are set to 0. @@ -147,7 +158,7 @@ def h_statistic( result : :class:`~sklearn.utils.Bunch` Dictionary-like object, with the following attributes. - feature_pair : list of length n_feature_pairs + feature_pairs : list of length n_feature_pairs The list contains tuples of feature pairs (indices) in the same order as all pairwise statistics. @@ -162,7 +173,8 @@ def h_statistic( Take square-root to get values on the scale of the predictions. denominator_pairwise : ndarray of shape (n_pairs, ) or (n_pairs, output_dim) - Denominator of pairwise H-squared statistic. Used for appropriate normalization of H. + Denominator of pairwise H-squared statistic. Used for appropriate + normalization of H. References ---------- @@ -203,10 +215,12 @@ def h_statistic( if is_classifier(estimator) and isinstance(estimator.classes_[0], np.ndarray): raise ValueError("Multiclass-multioutput estimators are not supported") + # Use check_array only on lists and other non-array-likes / sparse. Do not # convert DataFrame into a NumPy array. if not (hasattr(X, "__array__") or sparse.issparse(X)): X = check_array(X, force_all_finite="allow-nan", dtype=object) + if sample_weight is not None: sample_weight = _check_sample_weight(sample_weight, X) @@ -230,10 +244,10 @@ def h_statistic( # CALCULATIONS pd_univariate = [] - for ind in feature_indices: + for idx in feature_indices: pd_univariate.append( _calculate_pd_over_data( - estimator, X=X, feature_indices=[ind], sample_weight=sample_weight + estimator, X=X, feature_indices=[idx], sample_weight=sample_weight ) ) @@ -262,7 +276,7 @@ def h_statistic( h2_stat = np.divide(num, denom, out=np.zeros_like(num), where=denom > 0) return Bunch( - feature_pair=list(itertools.combinations(features, 2)), + feature_pairs=list(itertools.combinations(features, 2)), h_squared_pairwise=h2_stat, numerator_pairwise=num, denominator_pairwise=denom, diff --git a/sklearn/inspection/tests/test_h_statistic.py b/sklearn/inspection/tests/test_h_statistic.py index ea6b9d0fae656..c6627cf1597b7 100644 --- a/sklearn/inspection/tests/test_h_statistic.py +++ b/sklearn/inspection/tests/test_h_statistic.py @@ -25,17 +25,17 @@ @pytest.mark.parametrize("sample_weight", [None, "ones"]) def test_h_statistic_additive_regression(est, features, n_max, sample_weight): # Checks that additive regressions get statistics of 0. - M_FEAT = 4 + N_FEAT = 4 N = 200 - X, y = make_regression(n_samples=N, n_features=M_FEAT, random_state=0) + X, y = make_regression(n_samples=N, n_features=N_FEAT, random_state=0) w = np.ones(N) if sample_weight == "ones" else None model = est.fit(X, y, sample_weight=w) result = h_statistic( - model, X, features=features, random_state=1, n_max=n_max, sample_weight=w + model, X, features=features, sample_weight=w, n_max=n_max, random_state=1 ) - m = M_FEAT if features is None else len(features) + m = N_FEAT if features is None else len(features) expected_length = m * (m - 1) / 2 assert result.h_squared_pairwise.shape == (expected_length,) @@ -46,12 +46,12 @@ def test_h_statistic_additive_classification(): # Checks that additive classification gets statistics of 0. The presence # of link functions (especially for GradientBoosting with more than 2 classes) # would make further tests tricky. - M_FEAT = 4 + N_FEAT = 4 N_CLASSES = 4 X, y = make_classification( n_samples=200, - n_features=M_FEAT, - n_informative=M_FEAT, + n_features=N_FEAT, + n_informative=N_FEAT, n_redundant=0, n_classes=N_CLASSES, random_state=0, @@ -60,7 +60,7 @@ def test_h_statistic_additive_classification(): model.fit(X, y) result = h_statistic(model, X, random_state=1) - expected_length = M_FEAT * (M_FEAT - 1) / 2 + expected_length = N_FEAT * (N_FEAT - 1) / 2 assert result.h_squared_pairwise.shape == (expected_length, N_CLASSES) assert_allclose(result.h_squared_pairwise, 0) @@ -78,14 +78,14 @@ def test_h_statistic_additive_classification(): @pytest.mark.parametrize("sample_weight", [None, "ones"]) def test_h_statistic_regression(est, features, n_max, sample_weight): # Tests that models with interactions will produce (some) positive values. - M_FEAT = 4 + N_FEAT = 4 N = 200 - X, y = make_regression(n_samples=N, n_features=M_FEAT, random_state=0) + X, y = make_regression(n_samples=N, n_features=N_FEAT, random_state=0) w = np.ones(N) if sample_weight == "ones" else None model = est.fit(X, y, sample_weight=w) result = h_statistic( - model, X, features=features, random_state=1, n_max=n_max, sample_weight=w + model, X, features=features, sample_weight=w, n_max=n_max, random_state=1 ) assert any(result.h_squared_pairwise > 1e-5) @@ -105,13 +105,13 @@ def test_h_statistic_equivalence_array_dataframe(n_max, sample_weight): # Numpy model_np = RandomForestRegressor(random_state=0, max_depth=4, n_estimators=20) model_np.fit(X, y, sample_weight=w) - result_np = h_statistic(model_np, X, random_state=1, n_max=n_max, sample_weight=w) + result_np = h_statistic(model_np, X, sample_weight=w, n_max=n_max, random_state=1) # Pandas model_pd = clone(model_np) model_pd.fit(X_df, y, sample_weight=w) result_pd = h_statistic( - model_pd, X_df, random_state=1, n_max=n_max, sample_weight=w + model_pd, X_df, sample_weight=w, n_max=n_max, random_state=1 ) assert_allclose(result_np.h_squared_pairwise, result_pd.h_squared_pairwise) From c583aeb2d09bb710f39eb08340515a1a3d8fa014 Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Sat, 13 Apr 2024 20:50:50 +0200 Subject: [PATCH 23/66] add validate_params() --- sklearn/inspection/_h_statistic.py | 24 +++++++++++++++++++++++- 1 file changed, 23 insertions(+), 1 deletion(-) diff --git a/sklearn/inspection/_h_statistic.py b/sklearn/inspection/_h_statistic.py index 2628ba5f36d86..9f6c490916cc9 100644 --- a/sklearn/inspection/_h_statistic.py +++ b/sklearn/inspection/_h_statistic.py @@ -13,6 +13,13 @@ _safe_indexing, check_array, ) +from ..utils._param_validation import ( + HasMethods, + Integral, + Interval, + Real, + validate_params, +) from ..utils.random import sample_without_replacement from ..utils.validation import _check_sample_weight, check_is_fitted @@ -93,6 +100,21 @@ def _calculate_pd_over_data(estimator, X, feature_indices, sample_weight=None): return pd_values - column_means +@validate_params( + { + "estimator": [ + HasMethods(["fit", "predict"]), + HasMethods(["fit", "predict_proba"]), + ], + "X": ["array-like", "sparse matrix"], + "features": ["array-like", list, None], + "sample_weight": ["array-like", None], + "n_max": [Interval(Integral, 1, None, closed="left")], + "random_state": ["random_state"], + "eps": [Interval(Real, 0, None, closed="left")], + }, + prefer_skip_nested_validation=True, +) def h_statistic( estimator, X, @@ -202,7 +224,7 @@ def h_statistic( >>> # For features (8, 2), 3.4% of the joint effect variability comes from >>> # their interaction. These two features also have strongest absolute >>> # interaction, see "numerator_pairwise": - >>> # {'feature_pair': [(3, 8), (3, 2), (8, 2)], + >>> # {'feature_pairs': [(3, 8), (3, 2), (8, 2)], >>> # 'h_squared_pairwise': array([0.00985985, 0.00927104, 0.03439926]), >>> # 'numerator_pairwise': array([ 1.2955532 , 1.2419687 , 11.13358385]), >>> # 'denominator_pairwise': array([131.39690331, 133.96210997, 323.6576595 ])} From a443f02fa8229d13e801afe672f7dcbe480ba58c Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Sun, 14 Apr 2024 17:41:29 +0200 Subject: [PATCH 24/66] Add h_statistic to test_public_functions.py --- sklearn/tests/test_public_functions.py | 1 + 1 file changed, 1 insertion(+) diff --git a/sklearn/tests/test_public_functions.py b/sklearn/tests/test_public_functions.py index 22e70b39e1c6f..f2d83448b56ea 100644 --- a/sklearn/tests/test_public_functions.py +++ b/sklearn/tests/test_public_functions.py @@ -196,6 +196,7 @@ def _check_function_param_validation( "sklearn.feature_selection.mutual_info_classif", "sklearn.feature_selection.mutual_info_regression", "sklearn.feature_selection.r_regression", + "sklearn.inspection.h_statistic", "sklearn.inspection.partial_dependence", "sklearn.inspection.permutation_importance", "sklearn.isotonic.check_increasing", From a3aaed47c0778a9507ebe30a6deff54515a71bb2 Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Sun, 14 Apr 2024 17:51:30 +0200 Subject: [PATCH 25/66] Possession apostrophs --- sklearn/inspection/_h_statistic.py | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/sklearn/inspection/_h_statistic.py b/sklearn/inspection/_h_statistic.py index 9f6c490916cc9..85ec2e77dcaf9 100644 --- a/sklearn/inspection/_h_statistic.py +++ b/sklearn/inspection/_h_statistic.py @@ -1,4 +1,4 @@ -"""Friedman's and Popescu's H-Statistic""" +"""Friedman and Popescu's H-Statistic""" import itertools @@ -125,9 +125,9 @@ def h_statistic( random_state=None, eps=1e-10, ): - """Friedman's and Popescu's H-statistic of pairwise interaction strength. + """Friedman and Popescu's H-statistic of pairwise interaction strength. - Calculates Friedman's and Popescu's H-statistic of interaction strength + Calculates Friedman and Popescu's H-statistic of interaction strength for each feature pair j, k, see [FRI]_. 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For the other interactions, its +5% or less. + +The right plot shows :math:`\sqrt{A_{jk}}`. These values are all on the same +scale and thus can be directly compared: The *strongest* interaction occurs between +feature 2 and 3, even if it explains less than 5% of the joint effect variability. +This happens because features 8 > 2 > 3 are the most important features according to +permutation importance. Thus, a relatively weak interaction between the two very important +features 2 and 3 is still stronger als the strong relative interaction strength +between two quite unimportant features. + +Limitations +=========== + +1. H-statistics are based on partial dependence estimates. Therefore, they are + just as good or poor as these. The major problem of partial dependence is + the application of the model to unseen and/or impossible feature combinations. + H-statistics, which should actually lie in the range between 0 and 1, + can become greater than 1 in extreme cases. +2. Due to their computational complexity, H-statistics are usually evaluated on + relatively small subsets of the data. Consequently, the estimates are + typically not very robust. + +.. topic:: References + + .. [F2008] J. H. Friedman and B. E. Popescu, + "Predictive Learning via Rule Ensembles", + The Annals of Applied Statistics, 2(3), 916-954, 2008. \ No newline at end of file From 7f4527f3a47bcf825141b82dd86d4b6f22345d93 Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Tue, 16 Apr 2024 22:38:37 +0200 Subject: [PATCH 27/66] Add entry to classes.rst --- doc/modules/classes.rst | 1 + 1 file changed, 1 insertion(+) diff --git a/doc/modules/classes.rst b/doc/modules/classes.rst index 55336389f93d5..ba51cb775a2da 100644 --- a/doc/modules/classes.rst +++ b/doc/modules/classes.rst @@ -674,6 +674,7 @@ Kernels inspection.partial_dependence inspection.permutation_importance + inspection.h_statistic Plotting -------- From 0ee0f7a310f10c98a69cf87dbb5f805164bb6e17 Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Tue, 16 Apr 2024 22:39:37 +0200 Subject: [PATCH 28/66] reorder position in classes.rst --- doc/modules/classes.rst | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/doc/modules/classes.rst b/doc/modules/classes.rst index ba51cb775a2da..370b4cd284b50 100644 --- a/doc/modules/classes.rst +++ b/doc/modules/classes.rst @@ -672,9 +672,9 @@ Kernels :toctree: generated/ :template: function.rst + inspection.h_statistic inspection.partial_dependence inspection.permutation_importance - inspection.h_statistic Plotting -------- From a93a4c9ce8eaf669e8b2ad7e16b56cfc0fa1999f Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Fri, 19 Apr 2024 10:10:21 +0200 Subject: [PATCH 29/66] safe assign and indexing have moved --- sklearn/inspection/_h_statistic.py | 9 ++------- 1 file changed, 2 insertions(+), 7 deletions(-) diff --git a/sklearn/inspection/_h_statistic.py b/sklearn/inspection/_h_statistic.py index 85ec2e77dcaf9..9149808311e89 100644 --- a/sklearn/inspection/_h_statistic.py +++ b/sklearn/inspection/_h_statistic.py @@ -6,13 +6,8 @@ from scipy import sparse from ..base import is_classifier, is_regressor -from ..utils import ( - Bunch, - _get_column_indices, - _safe_assign, - _safe_indexing, - check_array, -) +from ..utils import Bunch, check_array +from ..utils._indexing import _get_column_indices, _safe_assign, _safe_indexing from ..utils._param_validation import ( HasMethods, Integral, From 6b63a551121062af56318c4daf29f04fe376bad7 Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Fri, 19 Apr 2024 12:13:12 +0200 Subject: [PATCH 30/66] Fix doctest failure --- sklearn/inspection/_h_statistic.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/sklearn/inspection/_h_statistic.py b/sklearn/inspection/_h_statistic.py index 9149808311e89..be9b9bc568865 100644 --- a/sklearn/inspection/_h_statistic.py +++ b/sklearn/inspection/_h_statistic.py @@ -214,7 +214,7 @@ def h_statistic( >>> m = 3 >>> imp = permutation_importance(est, X, y, random_state=0) >>> top_m = np.argsort(imp.importances_mean)[-m:] - >>> h_statistic(est, X=X, features=top_m, random_state=4) + >>> H = h_statistic(est, X=X, features=top_m, random_state=4) >>> # For features (8, 2), 3.4% of the joint effect variability comes from >>> # their interaction. These two features also have strongest absolute From 3923d739b6c9425aaeb085098ef08a2a6b2fd486 Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Fri, 19 Apr 2024 12:33:40 +0200 Subject: [PATCH 31/66] fix docstring failure attempt 2 --- doc/modules/h_statistic.rst | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/doc/modules/h_statistic.rst b/doc/modules/h_statistic.rst index ee2b10ae8d351..882138db0ec2d 100644 --- a/doc/modules/h_statistic.rst +++ b/doc/modules/h_statistic.rst @@ -120,7 +120,7 @@ time, we select the top 6 predictors via permutation importance, leading to 15 p >>> m = 6 >>> imp = permutation_importance(est, X, y, random_state=0) >>> top_m = np.argsort(imp.importances_mean)[-m:] - >>> h_statistic(est, X=X, features=top_m, random_state=4) + >>> H = h_statistic(est, X=X, features=top_m, random_state=4) Then, we plot the statistics: From d406dc641a2fc4b7e0d13c827e3d3f0815d5d654 Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Fri, 19 Apr 2024 14:52:17 +0200 Subject: [PATCH 32/66] doc tests do not seem to allow multiline command in parantheses --- doc/modules/h_statistic.rst | 16 +++++----------- 1 file changed, 5 insertions(+), 11 deletions(-) diff --git a/doc/modules/h_statistic.rst b/doc/modules/h_statistic.rst index 882138db0ec2d..325176611b0ee 100644 --- a/doc/modules/h_statistic.rst +++ b/doc/modules/h_statistic.rst @@ -132,18 +132,12 @@ Then, we plot the statistics: >>> H_df = pd.DataFrame(H).set_index("feature_pairs") >>> >>> # H-squared (for interpretation) - >>> ( - >>> H_df["h_squared_pairwise"] - >>> .sort_values() - >>> .plot.barh(xlabel="Normalized $H^2$", ax=axes[0]) - >>> ) - >>> + >>> H_df["h_squared_pairwise"].sort_values().plot.barh( + >>> xlabel="Normalized $H^2$", ax=axes[0]) + >>> >>> # Square-root of numerator (for comparison) - >>> ( - >>> np.sqrt(H_df["numerator_pairwise"]) - >>> .sort_values() - >>> .plot.barh(xlabel="Unnormalized $H$", ax=axes[1]) - >>> ) + >>> np.sqrt(H_df["numerator_pairwise"]).sort_values().plot.barh( + >>> xlabel="Unnormalized $H$", ax=axes[1]) .. image:: ../images/friedmans_h_statistic.png :align: center From 70b9f6866818b3524f04b42e1886b2e10bc219ca Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Fri, 19 Apr 2024 15:41:52 +0200 Subject: [PATCH 33/66] docstring checks do not like black --- doc/modules/h_statistic.rst | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/doc/modules/h_statistic.rst b/doc/modules/h_statistic.rst index 325176611b0ee..d42af2e8c80f1 100644 --- a/doc/modules/h_statistic.rst +++ b/doc/modules/h_statistic.rst @@ -132,12 +132,12 @@ Then, we plot the statistics: >>> H_df = pd.DataFrame(H).set_index("feature_pairs") >>> >>> # H-squared (for interpretation) - >>> H_df["h_squared_pairwise"].sort_values().plot.barh( - >>> xlabel="Normalized $H^2$", ax=axes[0]) + >>> H2 = H_df["h_squared_pairwise"].sort_values() + >>> H2.plot.barh(xlabel="Normalized $H^2$", ax=axes[0]) >>> >>> # Square-root of numerator (for comparison) - >>> np.sqrt(H_df["numerator_pairwise"]).sort_values().plot.barh( - >>> xlabel="Unnormalized $H$", ax=axes[1]) + >>> H_num = np.sqrt(H_df["numerator_pairwise"]).sort_values() + >>> H_num.plot.barh(xlabel="Unnormalized $H$", ax=axes[1]) .. image:: ../images/friedmans_h_statistic.png :align: center From 3ed07af9c618bff3cd74579e6b0ca6605f23f0e1 Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Fri, 19 Apr 2024 18:00:19 +0200 Subject: [PATCH 34/66] assign result of plot in docu --- doc/modules/h_statistic.rst | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/doc/modules/h_statistic.rst b/doc/modules/h_statistic.rst index d42af2e8c80f1..a7ba97b01c384 100644 --- a/doc/modules/h_statistic.rst +++ b/doc/modules/h_statistic.rst @@ -133,11 +133,11 @@ Then, we plot the statistics: >>> >>> # H-squared (for interpretation) >>> H2 = H_df["h_squared_pairwise"].sort_values() - >>> H2.plot.barh(xlabel="Normalized $H^2$", ax=axes[0]) + >>> _ = H2.plot.barh(xlabel="Normalized $H^2$", ax=axes[0]) >>> >>> # Square-root of numerator (for comparison) >>> H_num = np.sqrt(H_df["numerator_pairwise"]).sort_values() - >>> H_num.plot.barh(xlabel="Unnormalized $H$", ax=axes[1]) + >>> _ = H_num.plot.barh(xlabel="Unnormalized $H$", ax=axes[1]) .. image:: ../images/friedmans_h_statistic.png :align: center From c7b798eddd2250556ec73ad3ede5be5d77f864f6 Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Fri, 19 Apr 2024 18:32:56 +0200 Subject: [PATCH 35/66] superfluous newline in docstring of function --- sklearn/inspection/_h_statistic.py | 7 +++---- 1 file changed, 3 insertions(+), 4 deletions(-) diff --git a/sklearn/inspection/_h_statistic.py b/sklearn/inspection/_h_statistic.py index be9b9bc568865..752a11e2eb9db 100644 --- a/sklearn/inspection/_h_statistic.py +++ b/sklearn/inspection/_h_statistic.py @@ -123,7 +123,7 @@ def h_statistic( """Friedman and Popescu's H-statistic of pairwise interaction strength. Calculates Friedman and Popescu's H-statistic of interaction strength - for each feature pair j, k, see [FRI]_. The statistic is defined as:: + for each feature pair j, k, see [FRI]_. The statistic is defined as: H_jk^2 = Numerator_jk / Denominator_jk, where @@ -221,9 +221,8 @@ def h_statistic( >>> # interaction, see "numerator_pairwise": >>> # {'feature_pairs': [(3, 8), (3, 2), (8, 2)], >>> # 'h_squared_pairwise': array([0.00985985, 0.00927104, 0.03439926]), - >>> # 'numerator_pairwise': array([ 1.2955532 , 1.2419687 , 11.13358385]), - >>> # 'denominator_pairwise': array([131.39690331, 133.96210997, 323.6576595 ])} - + >>> # 'numerator_pairwise': array([1.2955532, 1.2419687, 11.13358385]), + >>> # 'denominator_pairwise': array([131.39690331, 133.96210997, 323.6576595])} """ check_is_fitted(estimator) From 7e4ff8b85ce5a971c96792ac95f888321223dc73 Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Fri, 19 Apr 2024 21:25:59 +0200 Subject: [PATCH 36/66] Replace plot by print() --- doc/images/friedmans_h_statistic.png | Bin 30389 -> 0 bytes doc/modules/h_statistic.rst | 92 ++++++++++++++------------- 2 files changed, 47 insertions(+), 45 deletions(-) delete mode 100644 doc/images/friedmans_h_statistic.png diff --git a/doc/images/friedmans_h_statistic.png b/doc/images/friedmans_h_statistic.png deleted file mode 100644 index a321e201f0d4d536287e9024221e877216495c54..0000000000000000000000000000000000000000 GIT binary patch literal 0 HcmV?d00001 literal 30389 zcmd442{_j4`ZoNiNQO|R2vJljl0*s-O6F)F87mYG8Ppo5fZB;B{YbP4N4?L z8OtnWp1<=(!`lC~-*@l#``+XD*0J}oS`9qU@44^mILw1h$7~#qS(q+!I()+3!sfWR zh?K~Nwabn=IM~`ti;7zR`VAsBC(K2cjZNm`i!89+sb^22Fqx45QzgpXwxCd)1XL8| zb)BzweQ`BlbDWgx;aIjb_;WsU?+Sm(MQj6p0!NdqY35itkKKzrC8=YVbzyBxV)EL? zsQr>a~t=i*T+UM=QJ;@NVenlE*u&W0Dq0Zhnmqo%nJACTieeIpyQFbTIS^7aHwoq>=B=gPR?`Wmmb!=VR?4yiXZuhAve}*<_D&O zHPO3NRU5v2^Xcq7=IrdewZd&|WQ1QpV2)W)@W)d%hHJ`tKw>)TFdc3EqgNfKJQ&hb6lC1qJ*YH|mD2Z!U>u;^X6cd1ym_ zSIxfes;SAL?9wdPlU3E#xivN1Nl8he17c!ge*XSm%5kNxe2R*PxTdc0;q{1_=F_fX zrNf`Z6EUlOb}BJ3@%`%Kr%!LCVc?|9pFcnI$rID^MD0w6w$RMl!a|w=4pHSphvLPU zeEkyj#I3Zo_w4aWK9FHr7`SAhLOoiRr>Q8Ua*NZEBSJ!I5uQuLkJNX5ddMkZ$*LU0 zMSXdf;NSu}I)%fB1s5)riWzeE^LshW^_uC*l`FK2j0NFF?&sfxi<;G>TMxJ2Nm=hY zcr414Z;KOyiHXVZ_ov+#Zrli-&&0cI*)qz|_b-db)UHdh6ov5ZIDY(IY4CZ!#Laj; 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For the other interactions, its -5% or less. - -The right plot shows :math:`\sqrt{A_{jk}}`. These values are all on the same -scale and thus can be directly compared: The *strongest* interaction occurs between -feature 2 and 3, even if it explains less than 5% of the joint effect variability. -This happens because features 8 > 2 > 3 are the most important features according to -permutation importance. Thus, a relatively weak interaction between the two very important -features 2 and 3 is still stronger als the strong relative interaction strength -between two quite unimportant features. + >>> import numpy as np + >>> from sklearn.ensemble import HistGradientBoostingRegressor + >>> from sklearn.inspection import permutation_importance, h_statistic + >>> from sklearn.datasets import load_diabetes + + >>> X, y = load_diabetes(return_X_y=True) + >>> est = HistGradientBoostingRegressor(max_iter=100, max_depth=4).fit(X, y) + + >>> # Get Friedman's H-squared for top m=6 predictors + >>> m = 6 + >>> imp = permutation_importance(est, X, y, random_state=0) + >>> top_m = np.argsort(imp.importances_mean)[-m:] + >>> H = h_statistic(est, X=X, features=top_m, random_state=4) + +Then, we print the statistics, sorted by relative importance: + + >>> print(" Pair H^2 Unnormalized H") + >>> for i in np.argsort(H["h_squared_pairwise"])[::-1]: + ... print(f"{str(H['feature_pairs'][i]):<11}" + ... f"{H['h_squared_pairwise'][i]:.3f}" + ... f" {np.sqrt(H['numerator_pairwise'][i]):.3f}") + + Pair H^2 Unnormalized H +(1, 0) 0.155 3.947 +(0, 9) 0.059 2.097 +(0, 3) 0.054 3.279 +(3, 2) 0.043 6.952 +(9, 3) 0.037 2.805 +(1, 3) 0.028 2.367 +(9, 8) 0.022 4.866 +(2, 8) 0.021 6.524 +(0, 2) 0.019 3.341 +(3, 8) 0.015 4.622 +(1, 2) 0.010 2.558 +(0, 8) 0.009 2.803 +(9, 2) 0.006 1.942 +(1, 8) 0.002 1.234 +(1, 9) 0.002 0.453 + +The column ``H^2`` shows that the interaction between features 0 and 1 +explains 15.5% of their joint effect variability. For the other pairs, it is +clearly less. The column ``Unnormalized H`` (:math:`\sqrt{A_{jk}}`) additionally +shows that the interaction between features 2 and 3 is the largest in absolute terms. +The reason for this is that these features belong to the most important predictors. +Their weak relative interaction is still stronger than the strong relative interaction +between features 0 and 1. Thus, it often makes sense to study both normalized and +unnormalized statistics. Limitations =========== From c5e56abf0da157331c077b082469cdfe272679bc Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Fri, 19 Apr 2024 21:55:30 +0200 Subject: [PATCH 37/66] rst docu: reformat code --- doc/modules/h_statistic.rst | 71 +++++++++++++++++++------------------ 1 file changed, 36 insertions(+), 35 deletions(-) diff --git a/doc/modules/h_statistic.rst b/doc/modules/h_statistic.rst index 71cf2cb6f92fd..14b6ca97769c1 100644 --- a/doc/modules/h_statistic.rst +++ b/doc/modules/h_statistic.rst @@ -108,44 +108,45 @@ Let's calculate pairwise H-statistics from a boosted trees model of diabetes dat There are :math:`p = 10` features, leading to 45 pairwise interactions. To save time, we select the top 6 predictors via permutation importance, leading to 15 pairs. - >>> import numpy as np - >>> from sklearn.ensemble import HistGradientBoostingRegressor - >>> from sklearn.inspection import permutation_importance, h_statistic - >>> from sklearn.datasets import load_diabetes - - >>> X, y = load_diabetes(return_X_y=True) - >>> est = HistGradientBoostingRegressor(max_iter=100, max_depth=4).fit(X, y) - - >>> # Get Friedman's H-squared for top m=6 predictors - >>> m = 6 - >>> imp = permutation_importance(est, X, y, random_state=0) - >>> top_m = np.argsort(imp.importances_mean)[-m:] - >>> H = h_statistic(est, X=X, features=top_m, random_state=4) + >>> import numpy as np + >>> from sklearn.ensemble import HistGradientBoostingRegressor + >>> from sklearn.inspection import permutation_importance, h_statistic + >>> from sklearn.datasets import load_diabetes + + >>> # Fit model + >>> X, y = load_diabetes(return_X_y=True) + >>> est = HistGradientBoostingRegressor(max_iter=100, max_depth=4).fit(X, y) + + >>> # Get Friedman's H-squared for top m=6 predictors + >>> m = 6 + >>> imp = permutation_importance(est, X, y, random_state=0) + >>> top_m = np.argsort(imp.importances_mean)[-m:] + >>> H = h_statistic(est, X=X, features=top_m, random_state=4) Then, we print the statistics, sorted by relative importance: - >>> print(" Pair H^2 Unnormalized H") - >>> for i in np.argsort(H["h_squared_pairwise"])[::-1]: - ... print(f"{str(H['feature_pairs'][i]):<11}" - ... f"{H['h_squared_pairwise'][i]:.3f}" - ... f" {np.sqrt(H['numerator_pairwise'][i]):.3f}") - - Pair H^2 Unnormalized H -(1, 0) 0.155 3.947 -(0, 9) 0.059 2.097 -(0, 3) 0.054 3.279 -(3, 2) 0.043 6.952 -(9, 3) 0.037 2.805 -(1, 3) 0.028 2.367 -(9, 8) 0.022 4.866 -(2, 8) 0.021 6.524 -(0, 2) 0.019 3.341 -(3, 8) 0.015 4.622 -(1, 2) 0.010 2.558 -(0, 8) 0.009 2.803 -(9, 2) 0.006 1.942 -(1, 8) 0.002 1.234 -(1, 9) 0.002 0.453 + >>> print(" Pair H^2 Unnormalized H") + >>> for i in np.argsort(H["h_squared_pairwise"])[::-1]: + ... print(f"{str(H['feature_pairs'][i]):<11}" + ... f"{H['h_squared_pairwise'][i]:.3f}" + ... f" {np.sqrt(H['numerator_pairwise'][i]):.3f}") + ... + Pair H^2 Unnormalized H + (1, 0) 0.155 3.947 + (0, 9) 0.059 2.097 + (0, 3) 0.054 3.279 + (3, 2) 0.043 6.952 + (9, 3) 0.037 2.805 + (1, 3) 0.028 2.367 + (9, 8) 0.022 4.866 + (2, 8) 0.021 6.524 + (0, 2) 0.019 3.341 + (3, 8) 0.015 4.622 + (1, 2) 0.010 2.558 + (0, 8) 0.009 2.803 + (9, 2) 0.006 1.942 + (1, 8) 0.002 1.234 + (1, 9) 0.002 0.453 The column ``H^2`` shows that the interaction between features 0 and 1 explains 15.5% of their joint effect variability. For the other pairs, it is From 9ed9b2bf71f06ca8e0f0733401fa2781c3f4eb08 Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Fri, 19 Apr 2024 22:18:20 +0200 Subject: [PATCH 38/66] Change intendation in example output of rst docu --- doc/modules/h_statistic.rst | 32 ++++++++++++++++---------------- 1 file changed, 16 insertions(+), 16 deletions(-) diff --git a/doc/modules/h_statistic.rst b/doc/modules/h_statistic.rst index 14b6ca97769c1..b28893922192a 100644 --- a/doc/modules/h_statistic.rst +++ b/doc/modules/h_statistic.rst @@ -131,22 +131,22 @@ Then, we print the statistics, sorted by relative importance: ... f"{H['h_squared_pairwise'][i]:.3f}" ... f" {np.sqrt(H['numerator_pairwise'][i]):.3f}") ... - Pair H^2 Unnormalized H - (1, 0) 0.155 3.947 - (0, 9) 0.059 2.097 - (0, 3) 0.054 3.279 - (3, 2) 0.043 6.952 - (9, 3) 0.037 2.805 - (1, 3) 0.028 2.367 - (9, 8) 0.022 4.866 - (2, 8) 0.021 6.524 - (0, 2) 0.019 3.341 - (3, 8) 0.015 4.622 - (1, 2) 0.010 2.558 - (0, 8) 0.009 2.803 - (9, 2) 0.006 1.942 - (1, 8) 0.002 1.234 - (1, 9) 0.002 0.453 + Pair H^2 Unnormalized H + (1, 0) 0.155 3.947 + (0, 9) 0.059 2.097 + (0, 3) 0.054 3.279 + (3, 2) 0.043 6.952 + (9, 3) 0.037 2.805 + (1, 3) 0.028 2.367 + (9, 8) 0.022 4.866 + (2, 8) 0.021 6.524 + (0, 2) 0.019 3.341 + (3, 8) 0.015 4.622 + (1, 2) 0.010 2.558 + (0, 8) 0.009 2.803 + (9, 2) 0.006 1.942 + (1, 8) 0.002 1.234 + (1, 9) 0.002 0.453 The column ``H^2`` shows that the interaction between features 0 and 1 explains 15.5% of their joint effect variability. For the other pairs, it is From 0b29fc8ccb49169679ec1edc5ceeb9bc146ed03a Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Fri, 19 Apr 2024 22:50:40 +0200 Subject: [PATCH 39/66] doctest failure --- doc/modules/h_statistic.rst | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) diff --git a/doc/modules/h_statistic.rst b/doc/modules/h_statistic.rst index b28893922192a..890f9f76d0485 100644 --- a/doc/modules/h_statistic.rst +++ b/doc/modules/h_statistic.rst @@ -125,13 +125,12 @@ time, we select the top 6 predictors via permutation importance, leading to 15 p Then, we print the statistics, sorted by relative importance: - >>> print(" Pair H^2 Unnormalized H") >>> for i in np.argsort(H["h_squared_pairwise"])[::-1]: ... print(f"{str(H['feature_pairs'][i]):<11}" ... f"{H['h_squared_pairwise'][i]:.3f}" ... f" {np.sqrt(H['numerator_pairwise'][i]):.3f}") ... - Pair H^2 Unnormalized H + # Pair H^2 Unnormalized H (1, 0) 0.155 3.947 (0, 9) 0.059 2.097 (0, 3) 0.054 3.279 From 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zG<7{(!S0wdB-r4Hp{-$qUYL;Ti;2s4DB+5Njx*e=$Uj18BdFx89U+o*RBiH9W~~nC z{(cLlt{!|?Idrg7GR1oh?OaRo-qKYu;}Tte_oO9@_PTJ5%U$s{2MHpFK?u8oH9~gE zVNjZzM~75eDwcYC%g9?&gIU);k&Ne8Q4KvB?e|M96%udRxbfgUVavM0V^6=R#>Q=A zG}*@}q+%NXa=9iVi6MJsH9W9~QrYrf1%-AUPB%IH_Z!j3p3SFD% znqwskL+iS$()045Ny{XX;ec!k%ihEVm>> top_m = np.argsort(imp.importances_mean)[-m:] >>> H = h_statistic(est, X=X, features=top_m, random_state=4) -Then, we print the statistics, sorted by relative importance: - - >>> for i in np.argsort(H["h_squared_pairwise"])[::-1]: - ... print(f"{str(H['feature_pairs'][i]):<11}" - ... f"{H['h_squared_pairwise'][i]:.3f}" - ... f" {np.sqrt(H['numerator_pairwise'][i]):.3f}") - ... - # Pair H^2 Unnormalized H - (1, 0) 0.155 3.947 - (0, 9) 0.059 2.097 - (0, 3) 0.054 3.279 - (3, 2) 0.043 6.952 - (9, 3) 0.037 2.805 - (1, 3) 0.028 2.367 - (9, 8) 0.022 4.866 - (2, 8) 0.021 6.524 - (0, 2) 0.019 3.341 - (3, 8) 0.015 4.622 - (1, 2) 0.010 2.558 - (0, 8) 0.009 2.803 - (9, 2) 0.006 1.942 - (1, 8) 0.002 1.234 - (1, 9) 0.002 0.453 - -The column ``H^2`` shows that the interaction between features 0 and 1 -explains 15.5% of their joint effect variability. For the other pairs, it is -clearly less. The column ``Unnormalized H`` (:math:`\sqrt{A_{jk}}`) additionally -shows that the interaction between features 2 and 3 is the largest in absolute terms. -The reason for this is that these features belong to the most important predictors. -Their weak relative interaction is still stronger than the strong relative interaction -between features 0 and 1. Thus, it often makes sense to study both normalized and -unnormalized statistics. +Then, we plot all :math:`H_{jk}^2` and :math:`\sqrt{A_{jk}}` statistics: + + >>> import matplotlib.pyplot as plt + >>> + >>> fig, axes = plt.subplots(1, 2, figsize=(8, 4), layout="tight") + >>> + >>> bar_labels = np.array([str(pair) for pair in H["feature_pairs"]]) + >>> stats = (H["h_squared_pairwise"], np.sqrt(H["numerator_pairwise"])) + >>> + >>> for ax, stat, name in zip(axes, stats, ("$H^2$", "Unnormalized $H$")): + >>> idx = np.argsort(stat) + >>> ax.barh(bar_labels[idx], stat[idx], color="orange") + >>> ax.set(xlabel=name, title=name) + +.. image:: ../images/h_statistic.png + :align: center + +**The left plot** shows that the interaction between features 0 and 1 +explains about 16% of their joint effect variability. For the other pairs, it is +clearly less. **The right plot** additionally shows that the interaction between +features 2 and 3 is the largest in absolute terms. The reason for this is that +these features belong to the most important predictors. +Their weak relative interaction is still stronger than the strong relative +interaction between features 0 and 1. +Thus, it often makes sense to study both normalized and unnormalized statistics. Limitations =========== diff --git a/sklearn/inspection/_h_statistic.py b/sklearn/inspection/_h_statistic.py index 752a11e2eb9db..a6201e07ba1e3 100644 --- a/sklearn/inspection/_h_statistic.py +++ b/sklearn/inspection/_h_statistic.py @@ -207,6 +207,7 @@ def h_statistic( >>> from sklearn.inspection import permutation_importance, h_statistic >>> from sklearn.datasets import load_diabetes >>> + >>> # Fit model >>> X, y = load_diabetes(return_X_y=True) >>> est = HistGradientBoostingRegressor(max_iter=5, max_depth=2).fit(X, y) >>> @@ -215,14 +216,15 @@ def h_statistic( >>> imp = permutation_importance(est, X, y, random_state=0) >>> top_m = np.argsort(imp.importances_mean)[-m:] >>> H = h_statistic(est, X=X, features=top_m, random_state=4) - - >>> # For features (8, 2), 3.4% of the joint effect variability comes from - >>> # their interaction. These two features also have strongest absolute - >>> # interaction, see "numerator_pairwise": - >>> # {'feature_pairs': [(3, 8), (3, 2), (8, 2)], - >>> # 'h_squared_pairwise': array([0.00985985, 0.00927104, 0.03439926]), - >>> # 'numerator_pairwise': array([1.2955532, 1.2419687, 11.13358385]), - >>> # 'denominator_pairwise': array([131.39690331, 133.96210997, 323.6576595])} + >>> H + {'feature_pairs': [(3, 8), (3, 2), (8, 2)], + 'h_squared_pairwise': array([0.00985985, 0.00927104, 0.03439926]), + 'numerator_pairwise': array([ 1.2955532 , 1.2419687 , 11.13358385]), + 'denominator_pairwise': array([131.39690331, 133.96210997, 323.6576595 ])} + + >>> # Interpretation: For features (8, 2), 3.4% of the joint effect variability + >>> # comes from their interaction. These two features also have strongest absolute + >>> # interaction across pairs ("numerator_pairwise"). """ check_is_fitted(estimator) From 91c2d65a8177efa54aaa8ff9cb86b8779f5662e4 Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Sat, 20 Apr 2024 10:16:56 +0200 Subject: [PATCH 41/66] Intendation fix --- doc/modules/h_statistic.rst | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/doc/modules/h_statistic.rst b/doc/modules/h_statistic.rst index 9b85e5e15e9fa..aa3d85036dfc2 100644 --- a/doc/modules/h_statistic.rst +++ b/doc/modules/h_statistic.rst @@ -131,9 +131,9 @@ Then, we plot all :math:`H_{jk}^2` and :math:`\sqrt{A_{jk}}` statistics: >>> stats = (H["h_squared_pairwise"], np.sqrt(H["numerator_pairwise"])) >>> >>> for ax, stat, name in zip(axes, stats, ("$H^2$", "Unnormalized $H$")): - >>> idx = np.argsort(stat) - >>> ax.barh(bar_labels[idx], stat[idx], color="orange") - >>> ax.set(xlabel=name, title=name) + >>> idx = np.argsort(stat) + >>> ax.barh(bar_labels[idx], stat[idx], color="orange") + >>> ax.set(xlabel=name, title=name) .. image:: ../images/h_statistic.png :align: center @@ -163,4 +163,4 @@ Limitations .. [F2008] J. H. Friedman and B. E. Popescu, "Predictive Learning via Rule Ensembles", - The Annals of Applied Statistics, 2(3), 916-954, 2008. \ No newline at end of file + The Annals of Applied Statistics, 2(3), 916-954, 2008. From 25a3f6d5c5837199144bd8ccb733cb015a432b34 Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Sat, 20 Apr 2024 14:50:12 +0200 Subject: [PATCH 42/66] fix doctest issues --- doc/modules/h_statistic.rst | 19 ++++++++++--------- sklearn/inspection/_h_statistic.py | 4 ---- 2 files changed, 10 insertions(+), 13 deletions(-) diff --git a/doc/modules/h_statistic.rst b/doc/modules/h_statistic.rst index aa3d85036dfc2..2e711b05aa171 100644 --- a/doc/modules/h_statistic.rst +++ b/doc/modules/h_statistic.rst @@ -110,11 +110,11 @@ time, we select the top 6 predictors via permutation importance, leading to 15 p >>> from sklearn.ensemble import HistGradientBoostingRegressor >>> from sklearn.inspection import permutation_importance, h_statistic >>> from sklearn.datasets import load_diabetes - + >>> # Fit model >>> X, y = load_diabetes(return_X_y=True) >>> est = HistGradientBoostingRegressor(max_iter=100, max_depth=4).fit(X, y) - + >>> # Get Friedman's H-squared for top m=6 predictors >>> m = 6 >>> imp = permutation_importance(est, X, y, random_state=0) @@ -124,16 +124,17 @@ time, we select the top 6 predictors via permutation importance, leading to 15 p Then, we plot all :math:`H_{jk}^2` and :math:`\sqrt{A_{jk}}` statistics: >>> import matplotlib.pyplot as plt - >>> - >>> fig, axes = plt.subplots(1, 2, figsize=(8, 4), layout="tight") - >>> + >>> + >>> fig, axes = plt.subplots(1, 2, figsize=(8, 4)) + >>> >>> bar_labels = np.array([str(pair) for pair in H["feature_pairs"]]) >>> stats = (H["h_squared_pairwise"], np.sqrt(H["numerator_pairwise"])) - >>> + >>> >>> for ax, stat, name in zip(axes, stats, ("$H^2$", "Unnormalized $H$")): - >>> idx = np.argsort(stat) - >>> ax.barh(bar_labels[idx], stat[idx], color="orange") - >>> ax.set(xlabel=name, title=name) + ... idx = np.argsort(stat) + ... ax.barh(bar_labels[idx], stat[idx], color="orange") + ... ax.set(xlabel=name, title=name) + >>> _ = fig.tight_layout() .. image:: ../images/h_statistic.png :align: center diff --git a/sklearn/inspection/_h_statistic.py b/sklearn/inspection/_h_statistic.py index a6201e07ba1e3..999e7eadc78b8 100644 --- a/sklearn/inspection/_h_statistic.py +++ b/sklearn/inspection/_h_statistic.py @@ -206,12 +206,8 @@ def h_statistic( >>> from sklearn.ensemble import HistGradientBoostingRegressor >>> from sklearn.inspection import permutation_importance, h_statistic >>> from sklearn.datasets import load_diabetes - >>> - >>> # Fit model >>> X, y = load_diabetes(return_X_y=True) >>> est = HistGradientBoostingRegressor(max_iter=5, max_depth=2).fit(X, y) - >>> - >>> # Get Friedman's H-squared for top m=3 predictors >>> m = 3 >>> imp = permutation_importance(est, X, y, random_state=0) >>> top_m = np.argsort(imp.importances_mean)[-m:] From 72ce9c7de0caebf0872c088e425953be5fcc9415 Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Fri, 26 Apr 2024 08:32:47 +0200 Subject: [PATCH 43/66] Review Lorentzen --- sklearn/inspection/_h_statistic.py | 13 +- sklearn/inspection/tests/test_h_statistic.py | 126 +++++++++++++------ 2 files changed, 90 insertions(+), 49 deletions(-) diff --git a/sklearn/inspection/_h_statistic.py b/sklearn/inspection/_h_statistic.py index 999e7eadc78b8..07e0740471d88 100644 --- a/sklearn/inspection/_h_statistic.py +++ b/sklearn/inspection/_h_statistic.py @@ -39,9 +39,8 @@ def _calculate_pd_brute_fast(estimator, X, feature_indices, grid, sample_weight= # X is stacked n_grid times, and grid columns are replaced by replicated grid n = X.shape[0] n_grid = grid.shape[0] - X_eval = X.copy() - X_stacked = _safe_indexing(X_eval, np.tile(np.arange(n), n_grid), axis=0) + X_stacked = _safe_indexing(X, np.tile(np.arange(n), n_grid), axis=0) grid_stacked = _safe_indexing(grid, np.repeat(np.arange(n_grid), n), axis=0) _safe_assign(X_stacked, values=grid_stacked, column_indexer=feature_indices) @@ -51,11 +50,11 @@ def _calculate_pd_brute_fast(estimator, X, feature_indices, grid, sample_weight= preds = preds[:, 1] # Partial dependences are averages per grid block - pd_values = [ - np.average(Z, axis=0, weights=sample_weight) for Z in np.split(preds, n_grid) - ] + pd_values = np.fromiter( + [np.average(Z, axis=0, weights=sample_weight) for Z in np.split(preds, n_grid)] + ) - return np.array(pd_values) + return pd_values def _calculate_pd_over_data(estimator, X, feature_indices, sample_weight=None): @@ -246,8 +245,6 @@ def h_statistic( X = _safe_indexing(X, row_indices, axis=0) if sample_weight is not None: sample_weight = _safe_indexing(sample_weight, row_indices, axis=0) - else: - X = X.copy() if features is None: features = feature_indices = np.arange(X.shape[1]) diff --git a/sklearn/inspection/tests/test_h_statistic.py b/sklearn/inspection/tests/test_h_statistic.py index c6627cf1597b7..abff222e221e7 100644 --- a/sklearn/inspection/tests/test_h_statistic.py +++ b/sklearn/inspection/tests/test_h_statistic.py @@ -13,6 +13,20 @@ from sklearn.linear_model import LinearRegression +class Deterministic(RegressorMixin): + """Create estimator from deteministic prediction function""" + + def __init__(self, pred_fun): + self._pred_fun = pred_fun + self.is_fitted_ = True + + def fit(self, *args, **kwargs): + return self + + def predict(self, X): + return self._pred_fun(X) + + @pytest.mark.parametrize( "est", ( @@ -24,7 +38,7 @@ @pytest.mark.parametrize("n_max", [500, 50]) @pytest.mark.parametrize("sample_weight", [None, "ones"]) def test_h_statistic_additive_regression(est, features, n_max, sample_weight): - # Checks that additive regressions get statistics of 0. + """Checks that additive regressions get statistics of 0.""" N_FEAT = 4 N = 200 X, y = make_regression(n_samples=N, n_features=N_FEAT, random_state=0) @@ -42,30 +56,6 @@ def test_h_statistic_additive_regression(est, features, n_max, sample_weight): assert_allclose(result.h_squared_pairwise, 0) -def test_h_statistic_additive_classification(): - # Checks that additive classification gets statistics of 0. The presence - # of link functions (especially for GradientBoosting with more than 2 classes) - # would make further tests tricky. - N_FEAT = 4 - N_CLASSES = 4 - X, y = make_classification( - n_samples=200, - n_features=N_FEAT, - n_informative=N_FEAT, - n_redundant=0, - n_classes=N_CLASSES, - random_state=0, - ) - model = RandomForestClassifier(n_estimators=20, random_state=0, max_depth=1) - model.fit(X, y) - result = h_statistic(model, X, random_state=1) - - expected_length = N_FEAT * (N_FEAT - 1) / 2 - - assert result.h_squared_pairwise.shape == (expected_length, N_CLASSES) - assert_allclose(result.h_squared_pairwise, 0) - - @pytest.mark.parametrize( "est", ( @@ -77,7 +67,7 @@ def test_h_statistic_additive_classification(): @pytest.mark.parametrize("n_max", [500, 50]) @pytest.mark.parametrize("sample_weight", [None, "ones"]) def test_h_statistic_regression(est, features, n_max, sample_weight): - # Tests that models with interactions will produce (some) positive values. + """Tests that models with interactions will produce (some) positive values.""" N_FEAT = 4 N = 200 X, y = make_regression(n_samples=N, n_features=N_FEAT, random_state=0) @@ -91,10 +81,36 @@ def test_h_statistic_regression(est, features, n_max, sample_weight): assert any(result.h_squared_pairwise > 1e-5) +def test_h_statistic_additive_classification(): + """Checks that additive classification gets statistics of 0. + + The presence of link functions (especially for GradientBoosting with + more than 2 classes) would make further tests tricky. + """ + N_FEAT = 4 + N_CLASSES = 4 + X, y = make_classification( + n_samples=200, + n_features=N_FEAT, + n_informative=N_FEAT, + n_redundant=0, + n_classes=N_CLASSES, + random_state=0, + ) + model = RandomForestClassifier(n_estimators=20, random_state=0, max_depth=1) + model.fit(X, y) + result = h_statistic(model, X, random_state=1) + + expected_length = N_FEAT * (N_FEAT - 1) / 2 + + assert result.h_squared_pairwise.shape == (expected_length, N_CLASSES) + assert_allclose(result.h_squared_pairwise, 0) + + @pytest.mark.parametrize("sample_weight", [None, "ones"]) @pytest.mark.parametrize("n_max", [500, 50]) def test_h_statistic_equivalence_array_dataframe(n_max, sample_weight): - # Checks that index operations give the same for numpy arrays or dataframes. + """Checks that index operations give the same for numpy arrays or dataframes.""" pd = pytest.importorskip("pandas") N = 200 @@ -118,7 +134,7 @@ def test_h_statistic_equivalence_array_dataframe(n_max, sample_weight): def test_h_statistic_reflect_interaction_constraints(): - # Checks that interaction constraints are reflected. + """Checks that interaction constraints are reflected.""" X, y = make_regression(n_samples=200, n_features=4, random_state=0) model = HistGradientBoostingRegressor( @@ -132,9 +148,11 @@ def test_h_statistic_reflect_interaction_constraints(): def test_h_statistic_matches_other_implementations(): - # Checks for one specific example that the result matches the one from two - # independent R packages ({iml} of Christoph Molnar, {hstats} of Michael Mayer). - # The latter also allows for sample weights. + """Check against other implementations + + Check for one specific example that the result matches the one from two + independent R packages ({iml} of Christoph Molnar, {hstats} of Michael Mayer). + The latter also allows for sample weights. # X <- data.frame(x1 = c(1, 1, 1, 2), x2 = c(0, 0, 2, 1), x3 = c(2, 2, 1, 4)) # pred_fun <- function(model, newdata) # newdata[, 1] + newdata[, 2] * sqrt(newdata[, 3]) @@ -147,16 +165,7 @@ def test_h_statistic_matches_other_implementations(): # library(hstats) # 1.1.2 # h2_pairwise(hstats(X = X, pred_fun = pred_fun)) # x2:x3 -> 0.078125 # h2_pairwise(hstats(X = X, pred_fun = pred_fun, w = 0:3)) # weights -> 0.1010093 - class Deterministic(RegressorMixin): - def __init__(self, pred_fun): - self._pred_fun = pred_fun - self.is_fitted_ = True - - def fit(self, *args, **kwargs): - return self - - def predict(self, X): - return self._pred_fun(X) + """ X = np.array([[1, 1, 1, 2], [0, 0, 2, 1], [2, 2, 1, 4]]).T @@ -168,3 +177,38 @@ def predict(self, X): h_statistic(model, X=X, sample_weight=range(4)).h_squared_pairwise[2], 0.1010093, ) + + +def test_h_statistic_matches_analytic_result(): + """Check against analytic result + + By definition of the H-squared, a model consisting of an interaction + and without main effects would result in a value of 1. + """ + + X = np.array([[1, 1, -1, -1], [1, -1, 1, -1]]).T + + # Model consistent of pure interaction (and zero main effects) + model = Deterministic(lambda X: X[:, 0] * X[:, 1]) + + assert_allclose(h_statistic(model, X=X).h_squared_pairwise[0], 1) + + +@pytest.mark.parametrize("sample_weight", [None, "ones"]) +@pytest.mark.parametrize("n_max", [500, 50]) +def test_h_statistic_does_not_change_pandas_input(n_max, sample_weight): + """Checks that pandas data is unchanged by the function call.""" + pd = pytest.importorskip("pandas") + + N = 200 + X, y = make_regression(n_samples=N, n_features=4, random_state=0) + X_df = pd.DataFrame(X) + X_df_orig = X_df.copy() + w = np.ones(N) if sample_weight == "ones" else None + + # Pandas + model = RandomForestRegressor(random_state=0, max_depth=4, n_estimators=20) + model.fit(X_df, y, sample_weight=w) + _ = h_statistic(model, X_df, sample_weight=w, n_max=n_max, random_state=1) + + pd.testing.assert_frame_equal(X_df, X_df_orig) From cde7dae6559f207218817803070528ec377cdb7e Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Fri, 26 Apr 2024 09:48:31 +0200 Subject: [PATCH 44/66] switch to pred_fun argument in helper --- sklearn/inspection/_h_statistic.py | 61 ++++++++++-------- sklearn/inspection/tests/test_h_statistic.py | 66 +++++++++++--------- 2 files changed, 70 insertions(+), 57 deletions(-) diff --git a/sklearn/inspection/_h_statistic.py b/sklearn/inspection/_h_statistic.py index 07e0740471d88..f0856fa50f38c 100644 --- a/sklearn/inspection/_h_statistic.py +++ b/sklearn/inspection/_h_statistic.py @@ -19,23 +19,14 @@ from ..utils.validation import _check_sample_weight, check_is_fitted -def _calculate_pd_brute_fast(estimator, X, feature_indices, grid, sample_weight=None): +def _calculate_pd_brute_fast( + pred_fun, X, feature_indices, grid, sample_weight=None, reduce_binary=False +): """Fast version of _calculate_partial_dependence_brute() Returns np.array of size (n_grid, ) or (n_ngrid, output_dim). """ - if is_regressor(estimator): - if hasattr(estimator, "predict"): - pred_fun = estimator.predict - else: - raise ValueError("The regressor has no predict() method.") - elif is_classifier(estimator): - if hasattr(estimator, "predict_proba"): - pred_fun = estimator.predict_proba - else: - raise ValueError("The classifier has no predict_proba() method.") - # X is stacked n_grid times, and grid columns are replaced by replicated grid n = X.shape[0] n_grid = grid.shape[0] @@ -46,18 +37,20 @@ def _calculate_pd_brute_fast(estimator, X, feature_indices, grid, sample_weight= # Predict on stacked data. Pick positive class probs for binary classification preds = pred_fun(X_stacked) - if is_classifier(estimator) and preds.shape[1] == 2: + if reduce_binary: preds = preds[:, 1] # Partial dependences are averages per grid block - pd_values = np.fromiter( - [np.average(Z, axis=0, weights=sample_weight) for Z in np.split(preds, n_grid)] - ) + pd_values = [ + np.average(Z, axis=0, weights=sample_weight) for Z in np.split(preds, n_grid) + ] - return pd_values + return np.array(pd_values) -def _calculate_pd_over_data(estimator, X, feature_indices, sample_weight=None): +def _calculate_pd_over_data( + pred_fun, X, feature_indices, sample_weight=None, reduce_binary=False +): """Calculates centered partial dependence over the data distribution. It returns a numpy array of size (n, ) or (n, output_dim). @@ -78,11 +71,12 @@ def _calculate_pd_over_data(estimator, X, feature_indices, sample_weight=None): compressed_grid = False pd_values = _calculate_pd_brute_fast( - estimator, + pred_fun, X=X, feature_indices=feature_indices, grid=grid, sample_weight=sample_weight, + reduce_binary=reduce_binary, ) if compressed_grid: @@ -221,13 +215,23 @@ def h_statistic( >>> # comes from their interaction. These two features also have strongest absolute >>> # interaction across pairs ("numerator_pairwise"). """ - check_is_fitted(estimator) + reduce_binary = False # In binary classification, we only retain second class probs - if not (is_classifier(estimator) or is_regressor(estimator)): - raise ValueError("'estimator' must be a fitted regressor or classifier.") + check_is_fitted(estimator) - if is_classifier(estimator) and isinstance(estimator.classes_[0], np.ndarray): - raise ValueError("Multiclass-multioutput estimators are not supported") + if is_regressor(estimator): + pred_fun = getattr(estimator, "predict", None) + if pred_fun is None: + raise ValueError("The regressor has no predict() method.") + elif is_classifier(estimator): + if isinstance(estimator.classes_[0], np.ndarray): + raise ValueError("Multiclass-multioutput estimators are not supported") + reduce_binary = len(estimator.classes_) == 2 + pred_fun = getattr(estimator, "predict_proba", None) + if pred_fun is None: + raise ValueError("The classifier has no predict_proba() method.") + else: + raise ValueError("'estimator' must be a regressor or classifier.") # Use check_array only on lists and other non-array-likes / sparse. Do not # convert DataFrame into a NumPy array. @@ -258,7 +262,11 @@ def h_statistic( for idx in feature_indices: pd_univariate.append( _calculate_pd_over_data( - estimator, X=X, feature_indices=[idx], sample_weight=sample_weight + pred_fun, + X=X, + feature_indices=[idx], + sample_weight=sample_weight, + reduce_binary=reduce_binary, ) ) @@ -267,10 +275,11 @@ def h_statistic( for j, k in itertools.combinations(range(len(feature_indices)), 2): pd_bivariate = _calculate_pd_over_data( - estimator, + pred_fun, X=X, feature_indices=feature_indices[[j, k]], sample_weight=sample_weight, + reduce_binary=reduce_binary, ) num.append( np.average( diff --git a/sklearn/inspection/tests/test_h_statistic.py b/sklearn/inspection/tests/test_h_statistic.py index abff222e221e7..b1a931605604a 100644 --- a/sklearn/inspection/tests/test_h_statistic.py +++ b/sklearn/inspection/tests/test_h_statistic.py @@ -28,17 +28,23 @@ def predict(self, X): @pytest.mark.parametrize( - "est", + ["est", "is_additive"], ( - LinearRegression(), - HistGradientBoostingRegressor(random_state=0, max_depth=1, max_iter=20), + [LinearRegression(), True], + [HistGradientBoostingRegressor(random_state=0, max_depth=1, max_iter=20), True], + [RandomForestRegressor(random_state=0, max_depth=4, n_estimators=20), False], + [HistGradientBoostingRegressor(random_state=0, max_iter=20), False], ), ) @pytest.mark.parametrize("features", [None, [0, 1, 2]]) @pytest.mark.parametrize("n_max", [500, 50]) @pytest.mark.parametrize("sample_weight", [None, "ones"]) -def test_h_statistic_additive_regression(est, features, n_max, sample_weight): - """Checks that additive regressions get statistics of 0.""" +def test_h_statistic_regression(est, is_additive, features, n_max, sample_weight): + """Checks on regression. + + Additive regression models should get statistics of 0, while non-additive + models should get a value > 0. + """ N_FEAT = 4 N = 200 X, y = make_regression(n_samples=N, n_features=N_FEAT, random_state=0) @@ -53,32 +59,10 @@ def test_h_statistic_additive_regression(est, features, n_max, sample_weight): expected_length = m * (m - 1) / 2 assert result.h_squared_pairwise.shape == (expected_length,) - assert_allclose(result.h_squared_pairwise, 0) - - -@pytest.mark.parametrize( - "est", - ( - RandomForestRegressor(random_state=0, max_depth=4, n_estimators=20), - HistGradientBoostingRegressor(random_state=0, max_iter=20), - ), -) -@pytest.mark.parametrize("features", [None, [0, 1, 2]]) -@pytest.mark.parametrize("n_max", [500, 50]) -@pytest.mark.parametrize("sample_weight", [None, "ones"]) -def test_h_statistic_regression(est, features, n_max, sample_weight): - """Tests that models with interactions will produce (some) positive values.""" - N_FEAT = 4 - N = 200 - X, y = make_regression(n_samples=N, n_features=N_FEAT, random_state=0) - w = np.ones(N) if sample_weight == "ones" else None - - model = est.fit(X, y, sample_weight=w) - result = h_statistic( - model, X, features=features, sample_weight=w, n_max=n_max, random_state=1 - ) - - assert any(result.h_squared_pairwise > 1e-5) + if is_additive: + assert_allclose(result.h_squared_pairwise, 0) + else: + assert any(result.h_squared_pairwise > 1e-5) def test_h_statistic_additive_classification(): @@ -107,6 +91,26 @@ def test_h_statistic_additive_classification(): assert_allclose(result.h_squared_pairwise, 0) +def test_h_statistic_binary_classification_shape(): + """Checks that 0 class is dropped from binary classification.""" + N_FEAT = 4 + X, y = make_classification( + n_samples=200, + n_features=N_FEAT, + n_informative=N_FEAT, + n_redundant=0, + n_classes=2, + random_state=0, + ) + model = RandomForestClassifier(n_estimators=20, random_state=0, max_depth=3) + model.fit(X, y) + result = h_statistic(model, X, random_state=1) + + expected_length = N_FEAT * (N_FEAT - 1) / 2 + + assert result.h_squared_pairwise.shape == (expected_length,) + + @pytest.mark.parametrize("sample_weight", [None, "ones"]) @pytest.mark.parametrize("n_max", [500, 50]) def test_h_statistic_equivalence_array_dataframe(n_max, sample_weight): From a3f1beb15c8f1fc9f8d8ca71b14d84c4122bdf5b Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Fri, 26 Apr 2024 18:07:50 +0200 Subject: [PATCH 45/66] Initialize all resulting numpy arrays --- doc/modules/h_statistic.rst | 1 + sklearn/inspection/_h_statistic.py | 74 ++++++++++++-------- sklearn/inspection/tests/test_h_statistic.py | 4 +- 3 files changed, 46 insertions(+), 33 deletions(-) diff --git a/doc/modules/h_statistic.rst b/doc/modules/h_statistic.rst index 2e711b05aa171..bedceb4bdb999 100644 --- a/doc/modules/h_statistic.rst +++ b/doc/modules/h_statistic.rst @@ -131,6 +131,7 @@ Then, we plot all :math:`H_{jk}^2` and :math:`\sqrt{A_{jk}}` statistics: >>> stats = (H["h_squared_pairwise"], np.sqrt(H["numerator_pairwise"])) >>> >>> for ax, stat, name in zip(axes, stats, ("$H^2$", "Unnormalized $H$")): + ... stat = stat.ravel() ... idx = np.argsort(stat) ... ax.barh(bar_labels[idx], stat[idx], color="orange") ... ax.set(xlabel=name, title=name) diff --git a/sklearn/inspection/_h_statistic.py b/sklearn/inspection/_h_statistic.py index f0856fa50f38c..f3e8ce1efc0ab 100644 --- a/sklearn/inspection/_h_statistic.py +++ b/sklearn/inspection/_h_statistic.py @@ -24,7 +24,7 @@ def _calculate_pd_brute_fast( ): """Fast version of _calculate_partial_dependence_brute() - Returns np.array of size (n_grid, ) or (n_ngrid, output_dim). + Returns np.array of size (n_grid, output_dim). """ # X is stacked n_grid times, and grid columns are replaced by replicated grid @@ -35,17 +35,20 @@ def _calculate_pd_brute_fast( grid_stacked = _safe_indexing(grid, np.repeat(np.arange(n_grid), n), axis=0) _safe_assign(X_stacked, values=grid_stacked, column_indexer=feature_indices) - # Predict on stacked data. Pick positive class probs for binary classification preds = pred_fun(X_stacked) + + # Drop reduntant 0 class in binary classification if reduce_binary: preds = preds[:, 1] # Partial dependences are averages per grid block - pd_values = [ - np.average(Z, axis=0, weights=sample_weight) for Z in np.split(preds, n_grid) - ] + pd_values = np.average( + preds.reshape(n_grid, preds.shape[0] // n_grid, -1), + axis=1, + weights=sample_weight, + ) - return np.array(pd_values) + return pd_values def _calculate_pd_over_data( @@ -53,7 +56,7 @@ def _calculate_pd_over_data( ): """Calculates centered partial dependence over the data distribution. - It returns a numpy array of size (n, ) or (n, output_dim). + It returns a numpy array of size (n, output_dim). """ # Select grid columns and remove duplicates (will compensate below) @@ -126,8 +129,8 @@ def h_statistic( functions centered to mean 0, - and the sums run over 1 <= i <= n, where n is the sample size. - It equals the proportion of effect variability between two features that cannot - be explained by their main effects. When there is no interaction, the value is + It equals the proportion of effect variability between two features unexplained + by their main effects. When there is no interaction, the value is exactly 0. The numerator (or its square root) provides an absolute measure of interaction strength, enabling direct comparison across feature pairs. @@ -136,12 +139,12 @@ def h_statistic( automatically controlled via `n_max=500`, while it is the user's responsibility to select only a subset of *important* features. It is crucial to focus on important features because for weak predictors, the denominator might be small, and - even a weak interaction could result in a high Friedman's H, sometimes exceeding 1. + even a weak interaction could result in a high Friedman's H^2, sometimes exceeding 1. Parameters ---------- estimator : object - An estimator that has already been :term:`fitted`. + A fitted estimator. X : {array-like or dataframe} of shape (n_samples, n_features) Data for which :term:`estimator` is able to calculate predictions. @@ -166,23 +169,25 @@ def h_statistic( Returns ------- result : :class:`~sklearn.utils.Bunch` - Dictionary-like object, with the following attributes. + Dictionary-like object, with the attributes listed below. Note that + `output_dim` equals the number of values predicted per observation. + For single-output regression and binary classification, `output_dim` is 1. feature_pairs : list of length n_feature_pairs The list contains tuples of feature pairs (indices) in the same order as all pairwise statistics. - h_squared_pairwise : ndarray of shape (n_pairs, ) or (n_pairs, output_dim) + h_squared_pairwise : ndarray of shape (n_pairs, output_dim) Pairwise H-squared statistic. Useful to see which feature pair has strongest relative interation (relative with respect to joint effect). Calculated as numerator_pairwise / denominator_pairwise. - numerator_pairwise : ndarray of shape (n_pairs, ) or (n_pairs, output_dim) + numerator_pairwise : ndarray of shape (n_pairs, output_dim) Numerator of pairwise H-squared statistic. Useful to see which feature pair has strongest absolute interaction. Take square-root to get values on the scale of the predictions. - denominator_pairwise : ndarray of shape (n_pairs, ) or (n_pairs, output_dim) + denominator_pairwise : ndarray of shape (n_pairs, output_dim) Denominator of pairwise H-squared statistic. Used for appropriate normalization of H. @@ -206,10 +211,16 @@ def h_statistic( >>> top_m = np.argsort(imp.importances_mean)[-m:] >>> H = h_statistic(est, X=X, features=top_m, random_state=4) >>> H - {'feature_pairs': [(3, 8), (3, 2), (8, 2)], - 'h_squared_pairwise': array([0.00985985, 0.00927104, 0.03439926]), - 'numerator_pairwise': array([ 1.2955532 , 1.2419687 , 11.13358385]), - 'denominator_pairwise': array([131.39690331, 133.96210997, 323.6576595 ])} + feature_pairs': [(3, 8), (3, 2), (8, 2)], + 'h_squared_pairwise': array([[0.00985985], + [0.00927104], + [0.03439926]]), + 'numerator_pairwise': array([[ 1.2955532 ], + [ 1.2419687 ], + [11.13358385]]), + 'denominator_pairwise': array([[131.39690331], + [133.96210997], + [323.6576595 ]])} >>> # Interpretation: For features (8, 2), 3.4% of the joint effect variability >>> # comes from their interaction. These two features also have strongest absolute @@ -270,10 +281,15 @@ def h_statistic( ) ) - num = [] - denom = [] + n_features = len(features) + n_pairs = int(n_features * (n_features - 1) / 2) + output_dim = pd_univariate[0].shape[1] + output_shape = (n_pairs, output_dim) - for j, k in itertools.combinations(range(len(feature_indices)), 2): + num = np.empty(output_shape) + denom = np.empty(output_shape) + + for i, (j, k) in enumerate(itertools.combinations(range(n_features), 2)): pd_bivariate = _calculate_pd_over_data( pred_fun, X=X, @@ -281,18 +297,14 @@ def h_statistic( sample_weight=sample_weight, reduce_binary=reduce_binary, ) - num.append( - np.average( - (pd_bivariate - pd_univariate[j] - pd_univariate[k]) ** 2, - axis=0, - weights=sample_weight, - ) + num[i] = np.average( + (pd_bivariate - pd_univariate[j] - pd_univariate[k]) ** 2, + axis=0, + weights=sample_weight, ) - denom.append(np.average(pd_bivariate**2, axis=0, weights=sample_weight)) + denom[i] = np.average(pd_bivariate**2, axis=0, weights=sample_weight) - num = np.array(num) num[np.abs(num) < eps] = 0 # Round small numerators to 0 - denom = np.array(denom) h2_stat = np.divide(num, denom, out=np.zeros_like(num), where=denom > 0) return Bunch( diff --git a/sklearn/inspection/tests/test_h_statistic.py b/sklearn/inspection/tests/test_h_statistic.py index b1a931605604a..4d9a52eebf3e5 100644 --- a/sklearn/inspection/tests/test_h_statistic.py +++ b/sklearn/inspection/tests/test_h_statistic.py @@ -58,7 +58,7 @@ def test_h_statistic_regression(est, is_additive, features, n_max, sample_weight m = N_FEAT if features is None else len(features) expected_length = m * (m - 1) / 2 - assert result.h_squared_pairwise.shape == (expected_length,) + assert result.h_squared_pairwise.shape == (expected_length, 1) if is_additive: assert_allclose(result.h_squared_pairwise, 0) else: @@ -108,7 +108,7 @@ def test_h_statistic_binary_classification_shape(): expected_length = N_FEAT * (N_FEAT - 1) / 2 - assert result.h_squared_pairwise.shape == (expected_length,) + assert result.h_squared_pairwise.shape == (expected_length, 1) @pytest.mark.parametrize("sample_weight", [None, "ones"]) From ffc6b77a5259ab503f4b013bf08f2e86ded93ef3 Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Fri, 26 Apr 2024 18:11:57 +0200 Subject: [PATCH 46/66] Too long line in docstring --- sklearn/inspection/_h_statistic.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/sklearn/inspection/_h_statistic.py b/sklearn/inspection/_h_statistic.py index f3e8ce1efc0ab..23505d81963fb 100644 --- a/sklearn/inspection/_h_statistic.py +++ b/sklearn/inspection/_h_statistic.py @@ -139,7 +139,7 @@ def h_statistic( automatically controlled via `n_max=500`, while it is the user's responsibility to select only a subset of *important* features. It is crucial to focus on important features because for weak predictors, the denominator might be small, and - even a weak interaction could result in a high Friedman's H^2, sometimes exceeding 1. + even a weak interaction could result in a high Friedman's H, sometimes exceeding 1. Parameters ---------- From ef203806151419f23a3f243f6ce7f5b345c86957 Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Sat, 27 Apr 2024 07:18:09 +0200 Subject: [PATCH 47/66] Doctest failure --- sklearn/inspection/_h_statistic.py | 17 +++++++---------- 1 file changed, 7 insertions(+), 10 deletions(-) diff --git a/sklearn/inspection/_h_statistic.py b/sklearn/inspection/_h_statistic.py index 23505d81963fb..7a461c92cb209 100644 --- a/sklearn/inspection/_h_statistic.py +++ b/sklearn/inspection/_h_statistic.py @@ -211,16 +211,13 @@ def h_statistic( >>> top_m = np.argsort(imp.importances_mean)[-m:] >>> H = h_statistic(est, X=X, features=top_m, random_state=4) >>> H - feature_pairs': [(3, 8), (3, 2), (8, 2)], - 'h_squared_pairwise': array([[0.00985985], - [0.00927104], - [0.03439926]]), - 'numerator_pairwise': array([[ 1.2955532 ], - [ 1.2419687 ], - [11.13358385]]), - 'denominator_pairwise': array([[131.39690331], - [133.96210997], - [323.6576595 ]])} + {'feature_pairs': [(3, 8), (3, 2), (8, 2)], 'h_squared_pairwise': array([[0.00985985], + [0.00927104], + [0.03439926]]), 'numerator_pairwise': array([[ 1.2955532 ], + [ 1.2419687 ], + [11.13358385]]), 'denominator_pairwise': array([[131.39690331], + [133.96210997], + [323.6576595 ]])} >>> # Interpretation: For features (8, 2), 3.4% of the joint effect variability >>> # comes from their interaction. These two features also have strongest absolute From 3a34272d6952c4e0982ba16bbfc9b5d6af9e6662 Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Sat, 27 Apr 2024 08:40:37 +0200 Subject: [PATCH 48/66] move example from rst file to plot_partial_dependence.py --- doc/modules/h_statistic.rst | 74 +++++-------------- .../inspection/plot_partial_dependence.py | 64 +++++++++++++++- 2 files changed, 79 insertions(+), 59 deletions(-) diff --git a/doc/modules/h_statistic.rst b/doc/modules/h_statistic.rst index bedceb4bdb999..090594ef79a3f 100644 --- a/doc/modules/h_statistic.rst +++ b/doc/modules/h_statistic.rst @@ -15,14 +15,22 @@ partial dependence plots (PDP). But how to figure out between *which feature pai the strongest interactions occur? One approach is to study pairwise H-statistics, introduced by Friedman and Popescu -in [F2008]_. +in [F2008]_. The H-statistic of two features provides the proportion of effect +variability of the two features coming from their pairwise interaction. -The statistic -============= +The figure below shows H-statistics and their unnormalized counterparts for +the bike sharing dataset, with a +:class:`~sklearn.ensemble.HistGradientBoostingRegressor`: -The H-statistic of two features is the proportion of effect variability of the -two features coming from their pairwise interaction. -Effect variability is measured via partial dependence. +.. figure:: ../auto_examples/inspection/images/sphx_glr_plot_partial_dependence_007.png + :target: ../auto_examples/inspection/plot_partial_dependence.html + :align: center + :scale: 70 + +The statistics have been compured for the five most important features. + +Mathematical definition +======================= **Partial dependence** @@ -99,56 +107,6 @@ Therefore, our implementation randomly selects ``n_max = 500`` rows from the pro Furthermore, if the number of features :math:`p` is large, use some feature importance measure to select the most important features and pass them via the ``features=None`` argument. -Example -======= - -Let's calculate pairwise H-statistics from a boosted trees model of diabetes data. -There are :math:`p = 10` features, leading to 45 pairwise interactions. To save -time, we select the top 6 predictors via permutation importance, leading to 15 pairs. - - >>> import numpy as np - >>> from sklearn.ensemble import HistGradientBoostingRegressor - >>> from sklearn.inspection import permutation_importance, h_statistic - >>> from sklearn.datasets import load_diabetes - - >>> # Fit model - >>> X, y = load_diabetes(return_X_y=True) - >>> est = HistGradientBoostingRegressor(max_iter=100, max_depth=4).fit(X, y) - - >>> # Get Friedman's H-squared for top m=6 predictors - >>> m = 6 - >>> imp = permutation_importance(est, X, y, random_state=0) - >>> top_m = np.argsort(imp.importances_mean)[-m:] - >>> H = h_statistic(est, X=X, features=top_m, random_state=4) - -Then, we plot all :math:`H_{jk}^2` and :math:`\sqrt{A_{jk}}` statistics: - - >>> import matplotlib.pyplot as plt - >>> - >>> fig, axes = plt.subplots(1, 2, figsize=(8, 4)) - >>> - >>> bar_labels = np.array([str(pair) for pair in H["feature_pairs"]]) - >>> stats = (H["h_squared_pairwise"], np.sqrt(H["numerator_pairwise"])) - >>> - >>> for ax, stat, name in zip(axes, stats, ("$H^2$", "Unnormalized $H$")): - ... stat = stat.ravel() - ... idx = np.argsort(stat) - ... ax.barh(bar_labels[idx], stat[idx], color="orange") - ... ax.set(xlabel=name, title=name) - >>> _ = fig.tight_layout() - -.. image:: ../images/h_statistic.png - :align: center - -**The left plot** shows that the interaction between features 0 and 1 -explains about 16% of their joint effect variability. For the other pairs, it is -clearly less. **The right plot** additionally shows that the interaction between -features 2 and 3 is the largest in absolute terms. The reason for this is that -these features belong to the most important predictors. -Their weak relative interaction is still stronger than the strong relative -interaction between features 0 and 1. -Thus, it often makes sense to study both normalized and unnormalized statistics. - Limitations =========== @@ -161,6 +119,10 @@ Limitations relatively small subsets of the data. Consequently, the estimates are typically not very robust. +.. topic:: Examples: + + * :ref:`sphx_glr_auto_examples_inspection_plot_partial_dependence.py` + .. topic:: References .. [F2008] J. H. Friedman and B. E. Popescu, diff --git a/examples/inspection/plot_partial_dependence.py b/examples/inspection/plot_partial_dependence.py index 4c3e0f409eeff..52ac3838ec4cd 100644 --- a/examples/inspection/plot_partial_dependence.py +++ b/examples/inspection/plot_partial_dependence.py @@ -16,9 +16,12 @@ feature for each :term:`sample` separately, with one line per sample. Only one feature of interest is supported for ICE plots. -This example shows how to obtain partial dependence and ICE plots from a -:class:`~sklearn.neural_network.MLPRegressor` and a -:class:`~sklearn.ensemble.HistGradientBoostingRegressor` trained on the +Furthermore, the concept of partial dependence is used to measure interaction +strength of feature pairs. The corresponding measure is called *H-statistic* +and has been introduced in [4]_. + +To illustrate these methods, we use a :class:`~sklearn.neural_network.MLPRegressor` +and a :class:`~sklearn.ensemble.HistGradientBoostingRegressor` trained on the bike sharing dataset. The example is inspired by [1]_. .. [1] `Molnar, Christoph. "Interpretable machine learning. @@ -32,6 +35,10 @@ "Peeking Inside the Black Box: Visualizing Statistical Learning With Plots of Individual Conditional Expectation". Journal of Computational and Graphical Statistics, 24(1): 44-65 <1309.6392>` + +.. [4] Friedman, J. H. and Popescu, B. E. (2008). + "Predictive Learning via Rule Ensembles". + The Annals of Applied Statistics, 2(3), 916-954, 2008. """ # %% @@ -567,3 +574,54 @@ plt.show() # %% +# Interaction strength +# -------------------- +# +# Above considerations show that comparing 2D PDPs with their univariate versions +# give hints about feature interactions. This idea is formalized by Friedman +# and Popescu's (pairwise) H-statistic, see [4]_. +# It measures how well the 2D partial dependence function can be approximated +# by the two one-dimensional partial dependence functions. +# The resulting value is then normalized and can be interpreted as proportion of effect +# variability explained by the interaction. Besides this relative measure, we advocate +# to also consider unnormalized statistics. They can directly be compared between +# feature pairs to see which interactions are strongest. +# +# Since computational burden is high, H-statistics are usually calculated only for +# important features, e.g., selected by permutation importance. What do we get for +# our model? +print("Select five important features and crunch H-statistics...") + +from sklearn.inspection import h_statistic, permutation_importance + +tic = time() + +imp = permutation_importance(hgbdt_model, X=X_train, y=y_train, random_state=0) +features = X_train.columns[np.argsort(imp.importances_mean)][-5:] + +H = h_statistic(hgbdt_model, X=X_train, features=features, random_state=0) + +print(f"done in {time() - tic:.3f}s") + +import matplotlib.pyplot as plt + +fig, axes = plt.subplots(1, 2, figsize=(8, 4)) +bar_labels = np.array([str(pair) for pair in H["feature_pairs"]]) +stats = (H["h_squared_pairwise"], np.sqrt(H["numerator_pairwise"])) + +for ax, stat, name in zip(axes, stats, ("$H^2$", "Unnormalized $H$")): + stat = stat.ravel() + idx = np.argsort(stat) + ax.barh(bar_labels[idx], stat[idx], color="orange") + ax.set(xlabel=name, title=name) +_ = fig.tight_layout() + +# %% + +# **The left plot** shows that the interaction between 'workingday' and 'hour' +# explains about 8% of their joint effect variability. For the other pairs, it is +# less than 5%. **The right plot** additionally shows that the interaction between +# 'workingday' and 'hour' is also largest in absolute terms (on the scale of the +# predictions). + +# %% From 4658ee63124e5ae41b6b97b49c648b08f4e8095c Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Sat, 27 Apr 2024 08:46:24 +0200 Subject: [PATCH 49/66] Reformat example output --- sklearn/inspection/_h_statistic.py | 19 ++++++++++--------- 1 file changed, 10 insertions(+), 9 deletions(-) diff --git a/sklearn/inspection/_h_statistic.py b/sklearn/inspection/_h_statistic.py index 7a461c92cb209..d5535139d00fc 100644 --- a/sklearn/inspection/_h_statistic.py +++ b/sklearn/inspection/_h_statistic.py @@ -210,15 +210,16 @@ def h_statistic( >>> imp = permutation_importance(est, X, y, random_state=0) >>> top_m = np.argsort(imp.importances_mean)[-m:] >>> H = h_statistic(est, X=X, features=top_m, random_state=4) - >>> H - {'feature_pairs': [(3, 8), (3, 2), (8, 2)], 'h_squared_pairwise': array([[0.00985985], - [0.00927104], - [0.03439926]]), 'numerator_pairwise': array([[ 1.2955532 ], - [ 1.2419687 ], - [11.13358385]]), 'denominator_pairwise': array([[131.39690331], - [133.96210997], - [323.6576595 ]])} - + >>> # {'feature_pairs': [(3, 8), (3, 2), (8, 2)], + >>> # 'h_squared_pairwise': array([[0.00985985], + >>> # [0.00927104], + >>> # [0.03439926]]), + >>> # 'numerator_pairwise': array([[ 1.2955532 ], + >>> # [ 1.2419687 ], + >>> # [11.13358385]]), + >>> # 'denominator_pairwise': array([[131.39690331], + >>> # [133.96210997], + >>> # [323.6576595 ]])} >>> # Interpretation: For features (8, 2), 3.4% of the joint effect variability >>> # comes from their interaction. These two features also have strongest absolute >>> # interaction across pairs ("numerator_pairwise"). From 9bc1ff8ee9d0f5a88f83c3197fa29a573f4cb204 Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Sat, 27 Apr 2024 09:24:43 +0200 Subject: [PATCH 50/66] Fixing plot --- doc/modules/h_statistic.rst | 2 +- examples/inspection/plot_partial_dependence.py | 10 ++-------- 2 files changed, 3 insertions(+), 9 deletions(-) diff --git a/doc/modules/h_statistic.rst b/doc/modules/h_statistic.rst index 090594ef79a3f..c1e5f7a138579 100644 --- a/doc/modules/h_statistic.rst +++ b/doc/modules/h_statistic.rst @@ -22,7 +22,7 @@ The figure below shows H-statistics and their unnormalized counterparts for the bike sharing dataset, with a :class:`~sklearn.ensemble.HistGradientBoostingRegressor`: -.. figure:: ../auto_examples/inspection/images/sphx_glr_plot_partial_dependence_007.png +.. figure:: ../auto_examples/inspection/images/sphx_glr_plot_partial_dependence_010.png :target: ../auto_examples/inspection/plot_partial_dependence.html :align: center :scale: 70 diff --git a/examples/inspection/plot_partial_dependence.py b/examples/inspection/plot_partial_dependence.py index 52ac3838ec4cd..2822b61bab770 100644 --- a/examples/inspection/plot_partial_dependence.py +++ b/examples/inspection/plot_partial_dependence.py @@ -36,9 +36,9 @@ Individual Conditional Expectation". Journal of Computational and Graphical Statistics, 24(1): 44-65 <1309.6392>` -.. [4] Friedman, J. H. and Popescu, B. E. (2008). +.. [4] `Friedman, J. H. and Popescu, B. E. (2008). "Predictive Learning via Rule Ensembles". - The Annals of Applied Statistics, 2(3), 916-954, 2008. + The Annals of Applied Statistics, 2(3), 916-954, 2008.` """ # %% @@ -595,7 +595,6 @@ from sklearn.inspection import h_statistic, permutation_importance tic = time() - imp = permutation_importance(hgbdt_model, X=X_train, y=y_train, random_state=0) features = X_train.columns[np.argsort(imp.importances_mean)][-5:] @@ -603,8 +602,6 @@ print(f"done in {time() - tic:.3f}s") -import matplotlib.pyplot as plt - fig, axes = plt.subplots(1, 2, figsize=(8, 4)) bar_labels = np.array([str(pair) for pair in H["feature_pairs"]]) stats = (H["h_squared_pairwise"], np.sqrt(H["numerator_pairwise"])) @@ -617,11 +614,8 @@ _ = fig.tight_layout() # %% - # **The left plot** shows that the interaction between 'workingday' and 'hour' # explains about 8% of their joint effect variability. For the other pairs, it is # less than 5%. **The right plot** additionally shows that the interaction between # 'workingday' and 'hour' is also largest in absolute terms (on the scale of the # predictions). - -# %% From 9b8a1d63a249b6b150778b87a0245a045c8cbc6c Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Sat, 27 Apr 2024 10:38:02 +0200 Subject: [PATCH 51/66] Fix reference --- examples/inspection/plot_partial_dependence.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/examples/inspection/plot_partial_dependence.py b/examples/inspection/plot_partial_dependence.py index 2822b61bab770..0e0e691d87067 100644 --- a/examples/inspection/plot_partial_dependence.py +++ b/examples/inspection/plot_partial_dependence.py @@ -38,7 +38,7 @@ .. [4] `Friedman, J. H. and Popescu, B. E. (2008). "Predictive Learning via Rule Ensembles". - The Annals of Applied Statistics, 2(3), 916-954, 2008.` + The Annals of Applied Statistics, 2(3), 916-954, 2008.`_ """ # %% From a5cfa08dfab549dfb2a49c32ec83cb27c7acb5c8 Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Sat, 27 Apr 2024 11:34:36 +0200 Subject: [PATCH 52/66] maybe we need copy() --- examples/inspection/plot_partial_dependence.py | 4 ++-- sklearn/inspection/_h_statistic.py | 3 ++- 2 files changed, 4 insertions(+), 3 deletions(-) diff --git a/examples/inspection/plot_partial_dependence.py b/examples/inspection/plot_partial_dependence.py index 0e0e691d87067..f90c0ec8efbf1 100644 --- a/examples/inspection/plot_partial_dependence.py +++ b/examples/inspection/plot_partial_dependence.py @@ -36,9 +36,9 @@ Individual Conditional Expectation". Journal of Computational and Graphical Statistics, 24(1): 44-65 <1309.6392>` -.. [4] `Friedman, J. H. and Popescu, B. E. (2008). +.. [4] Friedman, J. H. and Popescu, B. E. (2008). "Predictive Learning via Rule Ensembles". - The Annals of Applied Statistics, 2(3), 916-954, 2008.`_ + The Annals of Applied Statistics, 2(3), 916-954, 2008. """ # %% diff --git a/sklearn/inspection/_h_statistic.py b/sklearn/inspection/_h_statistic.py index d5535139d00fc..b3b0d34145b5a 100644 --- a/sklearn/inspection/_h_statistic.py +++ b/sklearn/inspection/_h_statistic.py @@ -30,8 +30,9 @@ def _calculate_pd_brute_fast( # X is stacked n_grid times, and grid columns are replaced by replicated grid n = X.shape[0] n_grid = grid.shape[0] + X_eval = X.copy() - X_stacked = _safe_indexing(X, np.tile(np.arange(n), n_grid), axis=0) + X_stacked = _safe_indexing(X_eval, np.tile(np.arange(n), n_grid), axis=0) grid_stacked = _safe_indexing(grid, np.repeat(np.arange(n_grid), n), axis=0) _safe_assign(X_stacked, values=grid_stacked, column_indexer=feature_indices) From f36a9136835ed52d955c9053302b9c8161042518 Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Sat, 27 Apr 2024 12:05:51 +0200 Subject: [PATCH 53/66] Try second copy() --- sklearn/inspection/_h_statistic.py | 2 ++ 1 file changed, 2 insertions(+) diff --git a/sklearn/inspection/_h_statistic.py b/sklearn/inspection/_h_statistic.py index b3b0d34145b5a..25c4ea8f652ba 100644 --- a/sklearn/inspection/_h_statistic.py +++ b/sklearn/inspection/_h_statistic.py @@ -259,6 +259,8 @@ def h_statistic( X = _safe_indexing(X, row_indices, axis=0) if sample_weight is not None: sample_weight = _safe_indexing(sample_weight, row_indices, axis=0) + else: + X = X.copy() if features is None: features = feature_indices = np.arange(X.shape[1]) From 54e98c8ab8089658bfdfca569d8da121b7c6b433 Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Sat, 27 Apr 2024 12:29:58 +0200 Subject: [PATCH 54/66] Remove copy again --- sklearn/inspection/_h_statistic.py | 5 +---- 1 file changed, 1 insertion(+), 4 deletions(-) diff --git a/sklearn/inspection/_h_statistic.py b/sklearn/inspection/_h_statistic.py index 25c4ea8f652ba..d5535139d00fc 100644 --- a/sklearn/inspection/_h_statistic.py +++ b/sklearn/inspection/_h_statistic.py @@ -30,9 +30,8 @@ def _calculate_pd_brute_fast( # X is stacked n_grid times, and grid columns are replaced by replicated grid n = X.shape[0] n_grid = grid.shape[0] - X_eval = X.copy() - X_stacked = _safe_indexing(X_eval, np.tile(np.arange(n), n_grid), axis=0) + X_stacked = _safe_indexing(X, np.tile(np.arange(n), n_grid), axis=0) grid_stacked = _safe_indexing(grid, np.repeat(np.arange(n_grid), n), axis=0) _safe_assign(X_stacked, values=grid_stacked, column_indexer=feature_indices) @@ -259,8 +258,6 @@ def h_statistic( X = _safe_indexing(X, row_indices, axis=0) if sample_weight is not None: sample_weight = _safe_indexing(sample_weight, row_indices, axis=0) - else: - X = X.copy() if features is None: features = feature_indices = np.arange(X.shape[1]) From 131910bff7c49c3e57e689ffeeb4b0e0e8b6d637 Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Thu, 2 May 2024 20:26:24 +0200 Subject: [PATCH 55/66] fix dupe index issue with old pandas --- sklearn/inspection/_h_statistic.py | 4 ++++ 1 file changed, 4 insertions(+) diff --git a/sklearn/inspection/_h_statistic.py b/sklearn/inspection/_h_statistic.py index d5535139d00fc..3a108e5b45973 100644 --- a/sklearn/inspection/_h_statistic.py +++ b/sklearn/inspection/_h_statistic.py @@ -33,6 +33,10 @@ def _calculate_pd_brute_fast( X_stacked = _safe_indexing(X, np.tile(np.arange(n), n_grid), axis=0) grid_stacked = _safe_indexing(grid, np.repeat(np.arange(n_grid), n), axis=0) + + if hasattr(X, "iloc"): # pandas<2 does not allow "values" to have repeated indices + grid_stacked = grid_stacked.reset_index(drop=True) + _safe_assign(X_stacked, values=grid_stacked, column_indexer=feature_indices) preds = pred_fun(X_stacked) From 00f0eeda1a61f270219dff9ac88b9918bee978c2 Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Fri, 17 May 2024 17:59:18 +0200 Subject: [PATCH 56/66] Fix typo --- sklearn/inspection/_h_statistic.py | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/sklearn/inspection/_h_statistic.py b/sklearn/inspection/_h_statistic.py index 3a108e5b45973..16c5fe56103be 100644 --- a/sklearn/inspection/_h_statistic.py +++ b/sklearn/inspection/_h_statistic.py @@ -34,6 +34,7 @@ def _calculate_pd_brute_fast( X_stacked = _safe_indexing(X, np.tile(np.arange(n), n_grid), axis=0) grid_stacked = _safe_indexing(grid, np.repeat(np.arange(n_grid), n), axis=0) + # TODO: remove via https://github.com/scikit-learn/scikit-learn/issues/28931 if hasattr(X, "iloc"): # pandas<2 does not allow "values" to have repeated indices grid_stacked = grid_stacked.reset_index(drop=True) @@ -183,7 +184,7 @@ def h_statistic( h_squared_pairwise : ndarray of shape (n_pairs, output_dim) Pairwise H-squared statistic. Useful to see which feature pair has - strongest relative interation (relative with respect to joint effect). + strongest relative interaction (relative with respect to joint effect). Calculated as numerator_pairwise / denominator_pairwise. numerator_pairwise : ndarray of shape (n_pairs, output_dim) From 90ffd7b7785105ad1f8a69c847fbba1dba53c1e1 Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Fri, 17 May 2024 19:22:58 +0200 Subject: [PATCH 57/66] add column names to pandas unit test --- sklearn/inspection/tests/test_h_statistic.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/sklearn/inspection/tests/test_h_statistic.py b/sklearn/inspection/tests/test_h_statistic.py index 4d9a52eebf3e5..b561bed8d2f8e 100644 --- a/sklearn/inspection/tests/test_h_statistic.py +++ b/sklearn/inspection/tests/test_h_statistic.py @@ -119,7 +119,7 @@ def test_h_statistic_equivalence_array_dataframe(n_max, sample_weight): N = 200 X, y = make_regression(n_samples=N, n_features=4, random_state=0) - X_df = pd.DataFrame(X) + X_df = pd.DataFrame(X, columns=list("abcd")) w = np.ones(N) if sample_weight == "ones" else None # Numpy From 387d9976dd8a2d7e59f9e8bd0e73d41940acdd30 Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Fri, 31 May 2024 12:05:24 +0200 Subject: [PATCH 58/66] Fix problem related to #28931 --- sklearn/inspection/_h_statistic.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/sklearn/inspection/_h_statistic.py b/sklearn/inspection/_h_statistic.py index 16c5fe56103be..0435416002442 100644 --- a/sklearn/inspection/_h_statistic.py +++ b/sklearn/inspection/_h_statistic.py @@ -37,7 +37,7 @@ def _calculate_pd_brute_fast( # TODO: remove via https://github.com/scikit-learn/scikit-learn/issues/28931 if hasattr(X, "iloc"): # pandas<2 does not allow "values" to have repeated indices grid_stacked = grid_stacked.reset_index(drop=True) - + X_stacked = X_stacked.reset_index(drop=True) _safe_assign(X_stacked, values=grid_stacked, column_indexer=feature_indices) preds = pred_fun(X_stacked) From ea50a48d03adfe91fc45617dd617d35bf2577ece Mon Sep 17 00:00:00 2001 From: Michael Mayer Date: Fri, 31 May 2024 12:46:06 +0200 Subject: [PATCH 59/66] merge --- .github/workflows/wheels.yml | 10 +- .gitignore | 4 + .pre-commit-config.yaml | 7 + README.rst | 2 +- SECURITY.md | 4 +- asv_benchmarks/benchmarks/linear_model.py | 1 - benchmarks/bench_isotonic.py | 6 +- benchmarks/bench_saga.py | 11 +- build_tools/azure/debian_atlas_32bit_lock.txt | 11 +- .../azure/debian_atlas_32bit_requirements.txt | 2 +- ...latest_conda_forge_mkl_linux-64_conda.lock | 94 +- ...t_conda_forge_mkl_linux-64_environment.yml | 2 +- ...pylatest_conda_forge_mkl_osx-64_conda.lock | 100 +- ...est_conda_forge_mkl_osx-64_environment.yml | 2 +- ...latest_conda_mkl_no_openmp_environment.yml | 6 +- ...test_conda_mkl_no_openmp_osx-64_conda.lock | 64 +- ...latest_pip_openblas_pandas_environment.yml | 2 +- ...st_pip_openblas_pandas_linux-64_conda.lock | 64 +- .../pylatest_pip_scipy_dev_environment.yml | 2 +- ...pylatest_pip_scipy_dev_linux-64_conda.lock | 54 +- ...in_conda_defaults_openblas_environment.yml | 8 +- ...onda_defaults_openblas_linux-64_conda.lock | 48 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delete mode 100644 doc/themes/scikit-learn-modern/theme.conf delete mode 100644 doc/tune_toc.rst delete mode 100644 doc/tutorial/machine_learning_map/ML_MAPS_README.txt create mode 100644 doc/tutorial/machine_learning_map/README.md delete mode 100644 doc/tutorial/machine_learning_map/parse_path.py delete mode 100644 doc/tutorial/machine_learning_map/pyparsing.py delete mode 100644 doc/tutorial/machine_learning_map/svg2imagemap.py create mode 100644 doc/whats_new/v1.6.rst create mode 100644 examples/model_selection/plot_cost_sensitive_learning.py create mode 100644 examples/model_selection/plot_tuned_decision_threshold.py create mode 100644 examples/release_highlights/plot_release_highlights_1_5_0.py delete mode 100644 examples/svm/plot_svm_nonlinear.py create mode 100644 sklearn/model_selection/_classification_threshold.py create mode 100644 sklearn/model_selection/tests/test_classification_threshold.py create mode 100644 sklearn/utils/tests/test_mask.py create mode 100644 sklearn/utils/tests/test_missing.py diff --git a/.github/workflows/wheels.yml b/.github/workflows/wheels.yml index 1c4255706972f..8bd7ffc17beca 100644 --- a/.github/workflows/wheels.yml +++ b/.github/workflows/wheels.yml @@ -53,8 +53,6 @@ jobs: matrix: include: # Window 64 bit - # Note: windows-2019 is needed for older Python versions: - # https://github.com/scikit-learn/scikit-learn/issues/22530 - os: windows-latest python: 39 platform_id: win_amd64 @@ -90,16 +88,16 @@ jobs: manylinux_image: manylinux2014 # MacOS x86_64 - - os: macos-latest + - os: macos-12 python: 39 platform_id: macosx_x86_64 - - os: macos-latest + - os: macos-12 python: 310 platform_id: macosx_x86_64 - - os: macos-latest + - os: macos-12 python: 311 platform_id: macosx_x86_64 - - os: macos-latest + - os: macos-12 python: 312 platform_id: macosx_x86_64 diff --git a/.gitignore b/.gitignore index 9f3b453bbfd74..61c89bcb96491 100644 --- a/.gitignore +++ b/.gitignore @@ -15,9 +15,13 @@ dist/ MANIFEST doc/sg_execution_times.rst doc/_build/ +doc/api/*.rst doc/auto_examples/ +doc/css/* +!doc/css/.gitkeep doc/modules/generated/ doc/datasets/generated/ +doc/index.rst doc/min_dependency_table.rst doc/min_dependency_substitutions.rst *.pdf diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml index 31af43b6bbab0..abe14acc7778c 100644 --- a/.pre-commit-config.yaml +++ b/.pre-commit-config.yaml @@ -27,3 +27,10 @@ repos: # TODO: add the double-quote-cython-strings hook when it's usability has improved: # possibility to pass a directory and use it as a check instead of auto-formatter. - id: cython-lint +- repo: https://github.com/pre-commit/mirrors-prettier + rev: v2.7.1 + hooks: + - id: prettier + files: ^doc/scss/|^doc/js/scripts/ + exclude: ^doc/js/scripts/vendor/ + types_or: ["scss", "javascript"] diff --git a/README.rst b/README.rst index 3f9a4ad726806..4ac297063c26e 100644 --- a/README.rst +++ b/README.rst @@ -36,7 +36,7 @@ .. |NumPyMinVersion| replace:: 1.19.5 .. |SciPyMinVersion| replace:: 1.6.0 .. |JoblibMinVersion| replace:: 1.2.0 -.. |ThreadpoolctlMinVersion| replace:: 2.0.0 +.. |ThreadpoolctlMinVersion| replace:: 3.1.0 .. |MatplotlibMinVersion| replace:: 3.3.4 .. |Scikit-ImageMinVersion| replace:: 0.17.2 .. |PandasMinVersion| replace:: 1.1.5 diff --git a/SECURITY.md b/SECURITY.md index 18bb99ea3c15c..c961966d3ea5e 100644 --- a/SECURITY.md +++ b/SECURITY.md @@ -4,8 +4,8 @@ | Version | Supported | | ------------- | ------------------ | -| 1.4.2 | :white_check_mark: | -| < 1.4.2 | :x: | +| 1.5.0 | :white_check_mark: | +| < 1.5.0 | :x: | ## Reporting a Vulnerability diff --git a/asv_benchmarks/benchmarks/linear_model.py b/asv_benchmarks/benchmarks/linear_model.py index 7e7b9d33540c6..24153895611df 100644 --- a/asv_benchmarks/benchmarks/linear_model.py +++ b/asv_benchmarks/benchmarks/linear_model.py @@ -52,7 +52,6 @@ def make_estimator(self, params): estimator = LogisticRegression( solver=solver, penalty=penalty, - multi_class="multinomial", tol=0.01, n_jobs=n_jobs, random_state=0, diff --git a/benchmarks/bench_isotonic.py b/benchmarks/bench_isotonic.py index 556c452fa3323..be2ff6548cb92 100644 --- a/benchmarks/bench_isotonic.py +++ b/benchmarks/bench_isotonic.py @@ -13,7 +13,7 @@ import argparse import gc -from datetime import datetime +from timeit import default_timer import matplotlib.pyplot as plt import numpy as np @@ -52,9 +52,9 @@ def bench_isotonic_regression(Y): """ gc.collect() - tstart = datetime.now() + tstart = default_timer() isotonic_regression(Y) - return (datetime.now() - tstart).total_seconds() + return default_timer() - tstart if __name__ == "__main__": diff --git a/benchmarks/bench_saga.py b/benchmarks/bench_saga.py index c5b3e7728e2ec..97d4ba7b4b75b 100644 --- a/benchmarks/bench_saga.py +++ b/benchmarks/bench_saga.py @@ -20,6 +20,7 @@ from sklearn.linear_model import LogisticRegression from sklearn.metrics import log_loss from sklearn.model_selection import train_test_split +from sklearn.multiclass import OneVsRestClassifier from sklearn.preprocessing import LabelBinarizer, LabelEncoder from sklearn.utils.extmath import safe_sparse_dot, softmax from sklearn.utils.parallel import Parallel, delayed @@ -95,7 +96,6 @@ def fit_single( else: lr = LogisticRegression( solver=solver, - multi_class=multi_class, C=C, penalty=penalty, fit_intercept=False, @@ -103,6 +103,8 @@ def fit_single( max_iter=this_max_iter, random_state=42, ) + if multi_class == "ovr": + lr = OneVsRestClassifier(lr) # Makes cpu cache even for all fit calls X_train.max() @@ -118,8 +120,12 @@ def fit_single( except NotImplementedError: # Lightning predict_proba is not implemented for n_classes > 2 y_pred = _predict_proba(lr, X) + if isinstance(lr, OneVsRestClassifier): + coef = np.concatenate([est.coef_ for est in lr.estimators_]) + else: + coef = lr.coef_ score = log_loss(y, y_pred, normalize=False) / n_samples - score += 0.5 * alpha * np.sum(lr.coef_**2) + beta * np.sum(np.abs(lr.coef_)) + score += 0.5 * alpha * np.sum(coef**2) + beta * np.sum(np.abs(coef)) scores.append(score) train_score, test_score = tuple(scores) @@ -133,6 +139,7 @@ def fit_single( def _predict_proba(lr, X): + """Predict proba for lightning for n_classes >=3.""" pred = safe_sparse_dot(X, lr.coef_.T) if hasattr(lr, "intercept_"): pred += lr.intercept_ diff --git a/build_tools/azure/debian_atlas_32bit_lock.txt b/build_tools/azure/debian_atlas_32bit_lock.txt index 40e0ff4e25cb8..92b4b864fb9f5 100644 --- a/build_tools/azure/debian_atlas_32bit_lock.txt +++ b/build_tools/azure/debian_atlas_32bit_lock.txt @@ -6,7 +6,7 @@ # attrs==23.2.0 # via pytest -coverage==7.4.4 +coverage==7.5.2 # via pytest-cov cython==3.0.10 # via -r build_tools/azure/debian_atlas_32bit_requirements.txt @@ -16,19 +16,20 @@ joblib==1.2.0 # via -r build_tools/azure/debian_atlas_32bit_requirements.txt meson==1.4.0 # via meson-python -meson-python==0.15.0 +meson-python==0.16.0 # via -r build_tools/azure/debian_atlas_32bit_requirements.txt ninja==1.11.1.1 # via -r build_tools/azure/debian_atlas_32bit_requirements.txt packaging==24.0 # via + # meson-python # pyproject-metadata # pytest -pluggy==1.4.0 +pluggy==1.5.0 # via pytest py==1.11.0 # via pytest -pyproject-metadata==0.7.1 +pyproject-metadata==0.8.0 # via meson-python pytest==7.1.2 # via @@ -36,7 +37,7 @@ pytest==7.1.2 # pytest-cov pytest-cov==2.9.0 # via -r build_tools/azure/debian_atlas_32bit_requirements.txt -threadpoolctl==2.2.0 +threadpoolctl==3.1.0 # via -r build_tools/azure/debian_atlas_32bit_requirements.txt tomli==2.0.1 # via diff --git a/build_tools/azure/debian_atlas_32bit_requirements.txt b/build_tools/azure/debian_atlas_32bit_requirements.txt index d1bc22529d4f4..615193a71fc6b 100644 --- a/build_tools/azure/debian_atlas_32bit_requirements.txt +++ b/build_tools/azure/debian_atlas_32bit_requirements.txt @@ -3,7 +3,7 @@ # build_tools/update_environments_and_lock_files.py cython==3.0.10 # min joblib==1.2.0 # min -threadpoolctl==2.2.0 +threadpoolctl==3.1.0 pytest==7.1.2 # min pytest-cov==2.9.0 # min ninja diff --git a/build_tools/azure/pylatest_conda_forge_mkl_linux-64_conda.lock b/build_tools/azure/pylatest_conda_forge_mkl_linux-64_conda.lock index 5f8dda6fa9748..bf4b0087c662b 100644 --- a/build_tools/azure/pylatest_conda_forge_mkl_linux-64_conda.lock +++ b/build_tools/azure/pylatest_conda_forge_mkl_linux-64_conda.lock @@ -1,21 +1,21 @@ # Generated by conda-lock. # platform: linux-64 -# input_hash: 2622dc7361d0af53cfb31534b939a13e48192a3260137ba4ec20083659c2e5fa +# input_hash: 50fed47bc507d9ee3dbf5ff7a2247cb88944928bd5797e534ebdf8ece2d858ec @EXPLICIT https://conda.anaconda.org/conda-forge/linux-64/_libgcc_mutex-0.1-conda_forge.tar.bz2#d7c89558ba9fa0495403155b64376d81 https://conda.anaconda.org/conda-forge/linux-64/ca-certificates-2024.2.2-hbcca054_0.conda#2f4327a1cbe7f022401b236e915a5fef https://conda.anaconda.org/conda-forge/noarch/font-ttf-dejavu-sans-mono-2.37-hab24e00_0.tar.bz2#0c96522c6bdaed4b1566d11387caaf45 https://conda.anaconda.org/conda-forge/noarch/font-ttf-inconsolata-3.000-h77eed37_0.tar.bz2#34893075a5c9e55cdafac56607368fc6 https://conda.anaconda.org/conda-forge/noarch/font-ttf-source-code-pro-2.038-h77eed37_0.tar.bz2#4d59c254e01d9cde7957100457e2d5fb -https://conda.anaconda.org/conda-forge/noarch/font-ttf-ubuntu-0.83-h77eed37_1.conda#6185f640c43843e5ad6fd1c5372c3f80 -https://conda.anaconda.org/conda-forge/linux-64/ld_impl_linux-64-2.40-h41732ed_0.conda#7aca3059a1729aa76c597603f10b0dd3 -https://conda.anaconda.org/conda-forge/linux-64/libstdcxx-ng-13.2.0-h7e041cc_5.conda#f6f6600d18a4047b54f803cf708b868a +https://conda.anaconda.org/conda-forge/noarch/font-ttf-ubuntu-0.83-h77eed37_2.conda#cbbe59391138ea5ad3658c76912e147f +https://conda.anaconda.org/conda-forge/linux-64/ld_impl_linux-64-2.40-hf3520f5_1.conda#33b7851c39c25da14f6a233a8ccbeeca +https://conda.anaconda.org/conda-forge/linux-64/libstdcxx-ng-13.2.0-hc0a3c3a_7.conda#53ebd4c833fa01cb2c6353e99f905406 https://conda.anaconda.org/conda-forge/linux-64/python_abi-3.11-4_cp311.conda#d786502c97404c94d7d58d258a445a65 https://conda.anaconda.org/conda-forge/noarch/tzdata-2024a-h0c530f3_0.conda#161081fc7cec0bfda0d86d7cb595f8d8 https://conda.anaconda.org/conda-forge/noarch/fonts-conda-forge-1-0.tar.bz2#f766549260d6815b0c52253f1fb1bb29 https://conda.anaconda.org/conda-forge/noarch/fonts-conda-ecosystem-1-0.tar.bz2#fee5683a3f04bd15cbd8318b096a27ab https://conda.anaconda.org/conda-forge/linux-64/_openmp_mutex-4.5-2_kmp_llvm.tar.bz2#562b26ba2e19059551a811e72ab7f793 -https://conda.anaconda.org/conda-forge/linux-64/libgcc-ng-13.2.0-h807b86a_5.conda#d4ff227c46917d3b4565302a2bbb276b +https://conda.anaconda.org/conda-forge/linux-64/libgcc-ng-13.2.0-h77fa898_7.conda#72ec1b1b04c4d15d4204ece1ecea5978 https://conda.anaconda.org/conda-forge/linux-64/alsa-lib-1.2.11-hd590300_1.conda#0bb492cca54017ea314b809b1ee3a176 https://conda.anaconda.org/conda-forge/linux-64/attr-2.5.1-h166bdaf_1.tar.bz2#d9c69a24ad678ffce24c6543a0176b00 https://conda.anaconda.org/conda-forge/linux-64/aws-c-common-0.9.0-hd590300_0.conda#71b89db63b5b504e7afc8ad901172e1e @@ -37,24 +37,24 @@ https://conda.anaconda.org/conda-forge/linux-64/libev-4.33-hd590300_2.conda#172b https://conda.anaconda.org/conda-forge/linux-64/libexpat-2.6.2-h59595ed_0.conda#e7ba12deb7020dd080c6c70e7b6f6a3d https://conda.anaconda.org/conda-forge/linux-64/libffi-3.4.2-h7f98852_5.tar.bz2#d645c6d2ac96843a2bfaccd2d62b3ac3 https://conda.anaconda.org/conda-forge/linux-64/libgettextpo-0.22.5-h59595ed_2.conda#172bcc51059416e7ce99e7b528cede83 -https://conda.anaconda.org/conda-forge/linux-64/libgfortran5-13.2.0-ha4646dd_5.conda#7a6bd7a12a4bd359e2afe6c0fa1acace +https://conda.anaconda.org/conda-forge/linux-64/libgfortran5-13.2.0-hca663fb_7.conda#c0bd771f09a326fdcd95a60b617795bf https://conda.anaconda.org/conda-forge/linux-64/libiconv-1.17-hd590300_2.conda#d66573916ffcf376178462f1b61c941e https://conda.anaconda.org/conda-forge/linux-64/libjpeg-turbo-3.0.0-hd590300_1.conda#ea25936bb4080d843790b586850f82b8 https://conda.anaconda.org/conda-forge/linux-64/libnsl-2.0.1-hd590300_0.conda#30fd6e37fe21f86f4bd26d6ee73eeec7 -https://conda.anaconda.org/conda-forge/linux-64/libnuma-2.0.18-hd590300_0.conda#8feeecae73aeef0a2985af46b5a2c1df +https://conda.anaconda.org/conda-forge/linux-64/libnuma-2.0.18-h4ab18f5_2.conda#a263760479dbc7bc1f3df12707bd90dc https://conda.anaconda.org/conda-forge/linux-64/libogg-1.3.4-h7f98852_1.tar.bz2#6e8cc2173440d77708196c5b93771680 https://conda.anaconda.org/conda-forge/linux-64/libopus-1.3.1-h7f98852_1.tar.bz2#15345e56d527b330e1cacbdf58676e8f https://conda.anaconda.org/conda-forge/linux-64/libutf8proc-2.8.0-h166bdaf_0.tar.bz2#ede4266dc02e875fe1ea77b25dd43747 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https://conda.anaconda.org/conda-forge/linux-64/rdma-core-28.9-h59595ed_1.conda#aeffb7c06b5f65e55e6c637408dc4100 @@ -83,15 +83,15 @@ https://conda.anaconda.org/conda-forge/linux-64/libcap-2.69-h0f662aa_0.conda#25c https://conda.anaconda.org/conda-forge/linux-64/libedit-3.1.20191231-he28a2e2_2.tar.bz2#4d331e44109e3f0e19b4cb8f9b82f3e1 https://conda.anaconda.org/conda-forge/linux-64/libevent-2.1.12-hf998b51_1.conda#a1cfcc585f0c42bf8d5546bb1dfb668d https://conda.anaconda.org/conda-forge/linux-64/libgettextpo-devel-0.22.5-h59595ed_2.conda#b63d9b6da3653179a278077f0de20014 -https://conda.anaconda.org/conda-forge/linux-64/libgfortran-ng-13.2.0-h69a702a_5.conda#e73e9cfd1191783392131e6238bdb3e9 +https://conda.anaconda.org/conda-forge/linux-64/libgfortran-ng-13.2.0-h69a702a_7.conda#1b84f26d9f4f6026e179e7805d5a15cd https://conda.anaconda.org/conda-forge/linux-64/libnghttp2-1.58.0-h47da74e_1.conda#700ac6ea6d53d5510591c4344d5c989a 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https://conda.anaconda.org/conda-forge/linux-64/aws-crt-cpp-0.21.0-hb942446_5.conda#07d92ed5403ad7b5c66ffd7d5b8f7e57 -https://conda.anaconda.org/conda-forge/linux-64/gst-plugins-base-1.24.1-hfa15dee_1.conda#a6dd2bbc684913e2bef0a54ce56fcbfb +https://conda.anaconda.org/conda-forge/linux-64/gst-plugins-base-1.24.3-h9ad1361_0.conda#8fb0e954c616bb0f9389efac4b4ed44b https://conda.anaconda.org/conda-forge/linux-64/libcblas-3.9.0-16_linux64_mkl.tar.bz2#361bf757b95488de76c4f123805742d3 https://conda.anaconda.org/conda-forge/linux-64/liblapack-3.9.0-16_linux64_mkl.tar.bz2#a2f166748917d6d6e4707841ca1f519e https://conda.anaconda.org/conda-forge/linux-64/pulseaudio-client-17.0-hb77b528_0.conda#07f45f1be1c25345faddb8db0de8039b @@ -209,13 +209,13 @@ https://conda.anaconda.org/conda-forge/linux-64/qt-main-5.15.8-hc9dc06e_21.conda https://conda.anaconda.org/conda-forge/noarch/array-api-strict-1.1.1-pyhd8ed1ab_0.conda#941bbcd64d1a7b44aeb497f468fc85b4 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https://conda.anaconda.org/conda-forge/osx-64/libblas-3.9.0-20_osx64_mkl.conda#160fdc97a51d66d51dc782fb67d35205 -https://conda.anaconda.org/conda-forge/noarch/meson-python-0.15.0-pyh0c530f3_0.conda#3bc64565ca78ce3bb80248d09926d8f9 +https://conda.anaconda.org/conda-forge/noarch/meson-python-0.16.0-pyh0c530f3_0.conda#e16f0dbf502da873be9f9adb0dc52547 https://conda.anaconda.org/conda-forge/osx-64/mkl-devel-2023.2.0-h694c41f_50500.conda#1b4d0235ef253a1e19459351badf4f9f +https://conda.anaconda.org/conda-forge/osx-64/pillow-10.3.0-py312h0c923fa_0.conda#6f0591ae972e9b815739da3392fbb3c3 https://conda.anaconda.org/conda-forge/noarch/pytest-cov-5.0.0-pyhd8ed1ab_0.conda#c54c0107057d67ddf077751339ec2c63 https://conda.anaconda.org/conda-forge/noarch/pytest-xdist-3.5.0-pyhd8ed1ab_0.conda#d5f595da2daead898ca958ac62f0307b https://conda.anaconda.org/conda-forge/osx-64/clangxx-16.0.6-default_h7151d67_6.conda#cc8c007a529a7cfaa5d29d8599df3fe6 @@ -111,19 +111,19 @@ https://conda.anaconda.org/conda-forge/osx-64/numpy-1.26.4-py312he3a82b2_0.conda https://conda.anaconda.org/conda-forge/osx-64/blas-devel-3.9.0-20_osx64_mkl.conda#cc3260179093918b801e373c6e888e02 https://conda.anaconda.org/conda-forge/osx-64/compiler-rt-16.0.6-ha38d28d_2.conda#3b9e8c5c63b8e86234f499490acd85c2 https://conda.anaconda.org/conda-forge/osx-64/contourpy-1.2.1-py312h9230928_0.conda#079df34ce7c71259cfdd394645370891 -https://conda.anaconda.org/conda-forge/osx-64/pandas-2.2.2-py312h83c8a23_0.conda#b422a5d39ff0cd72923aef807f280145 -https://conda.anaconda.org/conda-forge/osx-64/scipy-1.13.0-py312h8adb940_0.conda#818232a7807c76970172af9c7698ba4a +https://conda.anaconda.org/conda-forge/osx-64/pandas-2.2.2-py312h1171441_1.conda#240737937f1f046b0e03ecc11ac4ec98 +https://conda.anaconda.org/conda-forge/osx-64/scipy-1.13.1-py312hb9702fa_0.conda#46cb49e67c33f8340a09e49e69adf195 https://conda.anaconda.org/conda-forge/osx-64/blas-2.120-mkl.conda#b041a7677a412f3d925d8208936cb1e2 -https://conda.anaconda.org/conda-forge/osx-64/clang_impl_osx-64-16.0.6-h8787910_11.conda#ed9c90270c77481fc4cfccd0891d62a8 -https://conda.anaconda.org/conda-forge/osx-64/matplotlib-base-3.8.4-py312h1fe5000_0.conda#3e3097734a5042cb6d2675e69bf1fc5a -https://conda.anaconda.org/conda-forge/osx-64/pyamg-5.1.0-py312h3db3e91_0.conda#c6d6248b99fc11b15c9becea581a1462 -https://conda.anaconda.org/conda-forge/osx-64/clang_osx-64-16.0.6-hb91bd55_11.conda#24123b15e9c0dad9c0d5fd9da0b4c7a9 -https://conda.anaconda.org/conda-forge/osx-64/matplotlib-3.8.4-py312hb401068_0.conda#187ee42addd449b4899b55c304012436 -https://conda.anaconda.org/conda-forge/osx-64/c-compiler-1.7.0-h282daa2_0.conda#4652f33fe8d895f61177e2783b289377 -https://conda.anaconda.org/conda-forge/osx-64/clangxx_impl_osx-64-16.0.6-h6d92fbe_11.conda#a658c595675bde00373347b22a974810 +https://conda.anaconda.org/conda-forge/osx-64/clang_impl_osx-64-16.0.6-h8787910_15.conda#4604a48f32935cd5d6e6a48e818b7eb0 +https://conda.anaconda.org/conda-forge/osx-64/matplotlib-base-3.8.4-py312hb6d62fa_2.conda#6c5cf505d118f4b58961191fd5e0d030 +https://conda.anaconda.org/conda-forge/osx-64/pyamg-5.1.0-py312h44e70fa_1.conda#ffbfe3b3d5e9675541ee516badfb7729 +https://conda.anaconda.org/conda-forge/osx-64/clang_osx-64-16.0.6-hb91bd55_15.conda#dc667dff0fefcb19ab8318e9518011f3 +https://conda.anaconda.org/conda-forge/osx-64/matplotlib-3.8.4-py312hb401068_2.conda#456c057a3e2dcac3d02f4b9d25e277f5 +https://conda.anaconda.org/conda-forge/osx-64/c-compiler-1.7.0-h282daa2_1.conda#d27411cb82bc1b76b9f487da6ae97f1d +https://conda.anaconda.org/conda-forge/osx-64/clangxx_impl_osx-64-16.0.6-h6d92fbe_15.conda#0e9dfa5ea554d23a3ad1f373470f84a2 https://conda.anaconda.org/conda-forge/osx-64/gfortran_osx-64-12.3.0-h18f7dce_1.conda#436af2384c47aedb94af78a128e174f1 -https://conda.anaconda.org/conda-forge/osx-64/clangxx_osx-64-16.0.6-hb91bd55_11.conda#e49aad30263abdcb785e610981b7c2c7 +https://conda.anaconda.org/conda-forge/osx-64/clangxx_osx-64-16.0.6-hb91bd55_15.conda#3d3b8b7b99770601759ef8bc23264df2 https://conda.anaconda.org/conda-forge/osx-64/gfortran-12.3.0-h2c809b3_1.conda#c48adbaa8944234b80ef287c37e329b0 -https://conda.anaconda.org/conda-forge/osx-64/cxx-compiler-1.7.0-h7728843_0.conda#8abaa2694c1fba2b6bd3753d00a60415 -https://conda.anaconda.org/conda-forge/osx-64/fortran-compiler-1.7.0-h6c2ab21_0.conda#2c11db8b46df0a547997116f0fd54b8e -https://conda.anaconda.org/conda-forge/osx-64/compilers-1.7.0-h694c41f_0.conda#3576aa54986a3e2a5370e4232b35c036 +https://conda.anaconda.org/conda-forge/osx-64/cxx-compiler-1.7.0-h7728843_1.conda#e04cb15a20553b973dd068c2dc81d682 +https://conda.anaconda.org/conda-forge/osx-64/fortran-compiler-1.7.0-h6c2ab21_1.conda#48319058089f492d5059e04494b81ed9 +https://conda.anaconda.org/conda-forge/osx-64/compilers-1.7.0-h694c41f_1.conda#875e9b06186a41d55b96b9c1a52f15be diff --git a/build_tools/azure/pylatest_conda_forge_mkl_osx-64_environment.yml b/build_tools/azure/pylatest_conda_forge_mkl_osx-64_environment.yml index cfa1b7689a4ad..ad177e4ed391b 100644 --- a/build_tools/azure/pylatest_conda_forge_mkl_osx-64_environment.yml +++ b/build_tools/azure/pylatest_conda_forge_mkl_osx-64_environment.yml @@ -14,7 +14,7 @@ dependencies: - matplotlib - pandas - pyamg - - pytest<8 + - pytest - pytest-xdist - pillow - pip diff --git a/build_tools/azure/pylatest_conda_mkl_no_openmp_environment.yml b/build_tools/azure/pylatest_conda_mkl_no_openmp_environment.yml index 9c46400c2d3c6..7e85b28b3f6c4 100644 --- a/build_tools/azure/pylatest_conda_mkl_no_openmp_environment.yml +++ b/build_tools/azure/pylatest_conda_mkl_no_openmp_environment.yml @@ -9,19 +9,19 @@ dependencies: - blas[build=mkl] - scipy<1.12 - joblib - - threadpoolctl - matplotlib - pandas - pyamg - - pytest<8 + - pytest - pytest-xdist - pillow - pip - ninja - - meson-python - pytest-cov - coverage - ccache - pip - pip: - cython + - threadpoolctl + - meson-python diff --git a/build_tools/azure/pylatest_conda_mkl_no_openmp_osx-64_conda.lock b/build_tools/azure/pylatest_conda_mkl_no_openmp_osx-64_conda.lock index aa946a23c4650..956622fe0008e 100644 --- a/build_tools/azure/pylatest_conda_mkl_no_openmp_osx-64_conda.lock +++ b/build_tools/azure/pylatest_conda_mkl_no_openmp_osx-64_conda.lock @@ -1,81 +1,77 @@ # Generated by conda-lock. # platform: osx-64 -# input_hash: d3fadab6d5d5d715660beb53286e2687b018b5195ef7ce47928bb79a96ee851b +# input_hash: 33a102d2ccde4e14e315a98b50340349af349f802403dd49589375b2b889f2d3 @EXPLICIT https://repo.anaconda.com/pkgs/main/osx-64/blas-1.0-mkl.conda#cb2c87e85ac8e0ceae776d26d4214c8a -https://repo.anaconda.com/pkgs/main/osx-64/bzip2-1.0.8-h6c40b1e_5.conda#0f51dde96c82dcf58a788787fed4c5b9 +https://repo.anaconda.com/pkgs/main/osx-64/bzip2-1.0.8-h6c40b1e_6.conda#96224786021d0765ce05818fa3c59bdb https://repo.anaconda.com/pkgs/main/osx-64/ca-certificates-2024.3.11-hecd8cb5_0.conda#a2e29a11940c66baf9942912096fad5f https://repo.anaconda.com/pkgs/main/osx-64/jpeg-9e-h6c40b1e_1.conda#fc3e61fa41309946c9283fe8737d7f41 -https://repo.anaconda.com/pkgs/main/osx-64/libbrotlicommon-1.0.9-hca72f7f_7.conda#6c865b9e76fa2fad0c8ac32aa0f01f75 +https://repo.anaconda.com/pkgs/main/osx-64/libbrotlicommon-1.0.9-h6c40b1e_8.conda#8e86dfa34b08bc664b19e1499e5465b8 https://repo.anaconda.com/pkgs/main/osx-64/libcxx-14.0.6-h9765a3e_0.conda#387757bb354ae9042370452cd0fb5627 https://repo.anaconda.com/pkgs/main/osx-64/libdeflate-1.17-hb664fd8_1.conda#b6116b8db33ea6a5b5287dae70d4a913 -https://repo.anaconda.com/pkgs/main/osx-64/libffi-3.4.4-hecd8cb5_0.conda#c20b2687118c471b1d70067ef2b2703f +https://repo.anaconda.com/pkgs/main/osx-64/libffi-3.4.4-hecd8cb5_1.conda#eb7f09ada4d95f1a26f483f1009d9286 https://repo.anaconda.com/pkgs/main/osx-64/libwebp-base-1.3.2-h6c40b1e_0.conda#d8fd9f599dd4e012694e69d119016442 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+https://repo.anaconda.com/pkgs/main/osx-64/tk-8.6.14-h4d00af3_0.conda#a2c03940c2ae54614301ec82e6a98d75 +https://repo.anaconda.com/pkgs/main/osx-64/brotli-bin-1.0.9-h6c40b1e_8.conda#11053f9c6b8d8a8348d0c33450c23ce9 https://repo.anaconda.com/pkgs/main/osx-64/freetype-2.12.1-hd8bbffd_0.conda#1f276af321375ee7fe8056843044fa76 https://repo.anaconda.com/pkgs/main/osx-64/libgfortran-5.0.0-11_3_0_hecd8cb5_28.conda#2eb13b680803f1064e53873ae0aaafb3 https://repo.anaconda.com/pkgs/main/osx-64/mkl-2023.1.0-h8e150cf_43560.conda#85d0f3431dd5c6ae44f8725fdd3d3e59 -https://repo.anaconda.com/pkgs/main/osx-64/sqlite-3.41.2-h6c40b1e_0.conda#6947a501943529c7536b7e4ba53802c1 -https://repo.anaconda.com/pkgs/main/osx-64/zstd-1.5.5-hc035e20_0.conda#5e0b7ddb1b7dc6b630e1f9a03499c19c -https://repo.anaconda.com/pkgs/main/osx-64/brotli-1.0.9-hca72f7f_7.conda#68e54d12ec67591deb2ffd70348fb00f +https://repo.anaconda.com/pkgs/main/osx-64/sqlite-3.45.3-h6c40b1e_0.conda#2edf909b937b3aad48322c9cb2e8f1a0 +https://repo.anaconda.com/pkgs/main/osx-64/zstd-1.5.5-hc035e20_2.conda#c033bf68c12f8c71fd916f000f3dc118 +https://repo.anaconda.com/pkgs/main/osx-64/brotli-1.0.9-h6c40b1e_8.conda#10f89677a3898d0113dc354adf643df3 https://repo.anaconda.com/pkgs/main/osx-64/libtiff-4.5.1-hcec6c5f_0.conda#e127a800ffd9d300ed7d5e1b026944ec -https://repo.anaconda.com/pkgs/main/osx-64/python-3.12.2-hd58486a_0.conda#21efba1355d32906d082aaff16698961 +https://repo.anaconda.com/pkgs/main/osx-64/python-3.12.3-hd58486a_1.conda#cdc61e8f6c2d77b3b263e720048c4b54 https://repo.anaconda.com/pkgs/main/osx-64/coverage-7.2.2-py312h6c40b1e_0.conda#b6e4b9fba325047c07f3c9211ae91d1c https://repo.anaconda.com/pkgs/main/noarch/cycler-0.11.0-pyhd3eb1b0_0.conda#f5e365d2cdb66d547eb8c3ab93843aab https://repo.anaconda.com/pkgs/main/noarch/execnet-1.9.0-pyhd3eb1b0_0.conda#f895937671af67cebb8af617494b3513 https://repo.anaconda.com/pkgs/main/noarch/iniconfig-1.1.1-pyhd3eb1b0_0.tar.bz2#e40edff2c5708f342cef43c7f280c507 -https://repo.anaconda.com/pkgs/main/osx-64/joblib-1.2.0-py312hecd8cb5_0.conda#aeeb33f85c1e6776700b67a4762d2e6d +https://repo.anaconda.com/pkgs/main/osx-64/joblib-1.4.0-py312hecd8cb5_0.conda#0af12a3a87d9c8051ae6ba2ed2c3882a https://repo.anaconda.com/pkgs/main/osx-64/kiwisolver-1.4.4-py312hcec6c5f_0.conda#2ba6561ddd1d05936fe74f5d118ce7dd https://repo.anaconda.com/pkgs/main/osx-64/lcms2-2.12-hf1fd2bf_0.conda#697aba7a3308226df7a93ccfeae16ffa https://repo.anaconda.com/pkgs/main/osx-64/mkl-service-2.4.0-py312h6c40b1e_1.conda#b1ef860be9043b35c5e8d9388b858514 -https://repo.anaconda.com/pkgs/main/noarch/munkres-1.1.4-py_0.conda#148362ba07f92abab76999a680c80084 https://repo.anaconda.com/pkgs/main/osx-64/ninja-1.10.2-hecd8cb5_5.conda#a0043b325fb08db82477ae433668e684 https://repo.anaconda.com/pkgs/main/osx-64/openjpeg-2.4.0-h66ea3da_0.conda#882833bd7befc5e60e6fba9c518c1b79 https://repo.anaconda.com/pkgs/main/osx-64/packaging-23.2-py312hecd8cb5_0.conda#2b4e331c8f6df5d95a5dd3af37a34d89 https://repo.anaconda.com/pkgs/main/osx-64/pluggy-1.0.0-py312hecd8cb5_1.conda#647fada22f1697691fdee90b52c99bcb https://repo.anaconda.com/pkgs/main/osx-64/pyparsing-3.0.9-py312hecd8cb5_0.conda#d85cf2b81c6d9326a57a6418e14db258 https://repo.anaconda.com/pkgs/main/noarch/python-tzdata-2023.3-pyhd3eb1b0_0.conda#479c037de0186d114b9911158427624e -https://repo.anaconda.com/pkgs/main/osx-64/pytz-2023.3.post1-py312hecd8cb5_0.conda#2636382c9a424f69cbc36b1c5dc1f2fc -https://repo.anaconda.com/pkgs/main/osx-64/setuptools-68.2.2-py312hecd8cb5_0.conda#64235f0c451427d86808c70c1c31cb8b +https://repo.anaconda.com/pkgs/main/osx-64/pytz-2024.1-py312hecd8cb5_0.conda#2b28ec0e0d07f5c0c701f75200b1e8b6 +https://repo.anaconda.com/pkgs/main/osx-64/setuptools-69.5.1-py312hecd8cb5_0.conda#5c7c7ef1e0762e3ca1f543d28310946f https://repo.anaconda.com/pkgs/main/noarch/six-1.16.0-pyhd3eb1b0_1.conda#34586824d411d36af2fa40e799c172d0 -https://repo.anaconda.com/pkgs/main/noarch/threadpoolctl-2.2.0-pyh0d69192_0.conda#bbfdbae4934150b902f97daaf287efe2 https://repo.anaconda.com/pkgs/main/noarch/toml-0.10.2-pyhd3eb1b0_0.conda#cda05f5f6d8509529d1a2743288d197a https://repo.anaconda.com/pkgs/main/osx-64/tornado-6.3.3-py312h6c40b1e_0.conda#49173b5a36c9134865221f29d4a73fb6 -https://repo.anaconda.com/pkgs/main/osx-64/wheel-0.41.2-py312hecd8cb5_0.conda#e7aea266d81142e2bb0bbc2280e64526 -https://repo.anaconda.com/pkgs/main/noarch/fonttools-4.25.0-pyhd3eb1b0_0.conda#bb9c5b5a6d892fca5efe4bf0203b6a48 -https://repo.anaconda.com/pkgs/main/osx-64/meson-1.3.1-py312hecd8cb5_0.conda#43963a2b38becce4caa95434b8c96837 +https://repo.anaconda.com/pkgs/main/osx-64/unicodedata2-15.1.0-py312h6c40b1e_0.conda#65bd2cb787fc99662d9bb6e6520c5826 +https://repo.anaconda.com/pkgs/main/osx-64/wheel-0.43.0-py312hecd8cb5_0.conda#c0bdd5748b170523232e8ad1d667136c +https://repo.anaconda.com/pkgs/main/osx-64/fonttools-4.51.0-py312h6c40b1e_0.conda#8f55fa86b73e8a7f4403503f9b7a9959 https://repo.anaconda.com/pkgs/main/osx-64/numpy-base-1.26.4-py312h6f81483_0.conda#87f73efbf26ab2e2ea7c32481a71bd47 -https://repo.anaconda.com/pkgs/main/osx-64/pillow-10.2.0-py312h6c40b1e_0.conda#5a44bd28cf26fff2d6219e76a86db126 -https://repo.anaconda.com/pkgs/main/osx-64/pip-23.3.1-py312hecd8cb5_0.conda#efc3db40cac09f74bb480d28d3a0b260 -https://repo.anaconda.com/pkgs/main/osx-64/pyproject-metadata-0.7.1-py312hecd8cb5_0.conda#e91ce37477d24dcdf7e0a8b93c5e72fd +https://repo.anaconda.com/pkgs/main/osx-64/pillow-10.3.0-py312h6c40b1e_0.conda#fe883fa4247d35fe6de49f713529ca02 +https://repo.anaconda.com/pkgs/main/osx-64/pip-24.0-py312hecd8cb5_0.conda#7a8e0b1d3742ddf1c8aa97fbaa158039 https://repo.anaconda.com/pkgs/main/osx-64/pytest-7.4.0-py312hecd8cb5_0.conda#b816a2439ba9b87524aec74d58e55b0a -https://repo.anaconda.com/pkgs/main/noarch/python-dateutil-2.8.2-pyhd3eb1b0_0.conda#211ee00320b08a1ac9fea6677649f6c9 -https://repo.anaconda.com/pkgs/main/osx-64/meson-python-0.15.0-py312h6c40b1e_0.conda#688ab56b9d8e5a2e3f018ca3ce34e061 +https://repo.anaconda.com/pkgs/main/osx-64/python-dateutil-2.9.0post0-py312hecd8cb5_2.conda#1047dde28f78127dd9f6121e882926dd https://repo.anaconda.com/pkgs/main/osx-64/pytest-cov-4.1.0-py312hecd8cb5_1.conda#a33a24eb20359f464938e75b2f57e23a https://repo.anaconda.com/pkgs/main/osx-64/pytest-xdist-3.5.0-py312hecd8cb5_0.conda#d1ecfb3691cceecb1f16bcfdf0b67bb5 https://repo.anaconda.com/pkgs/main/osx-64/bottleneck-1.3.7-py312h32608ca_0.conda#f96a01eba5ea542cf9c7cc8d77447627 https://repo.anaconda.com/pkgs/main/osx-64/contourpy-1.2.0-py312ha357a0b_0.conda#57d384ad07152375b40a6293f79e3f0c -https://repo.anaconda.com/pkgs/main/osx-64/matplotlib-3.8.0-py312hecd8cb5_0.conda#64ffa3462aace0fc2d5fa5bff15f63f6 -https://repo.anaconda.com/pkgs/main/osx-64/matplotlib-base-3.8.0-py312h7f12edd_0.conda#bda389e5a1ff69f763911cf90102893b +https://repo.anaconda.com/pkgs/main/osx-64/matplotlib-3.8.4-py312hecd8cb5_0.conda#6886c230c2ec2f47621b5cca4c7d493a +https://repo.anaconda.com/pkgs/main/osx-64/matplotlib-base-3.8.4-py312h7f12edd_0.conda#a4eee14a4dcaa89b306ca33d2d479fa4 https://repo.anaconda.com/pkgs/main/osx-64/mkl_fft-1.3.8-py312h6c40b1e_0.conda#d59d01b940493f2b6a84aac922fd0c76 https://repo.anaconda.com/pkgs/main/osx-64/mkl_random-1.2.4-py312ha357a0b_0.conda#c1ea9c8eee79a5af3399f3c31be0e9c6 https://repo.anaconda.com/pkgs/main/osx-64/numpy-1.26.4-py312hac873b0_0.conda#3150bac1e382156f82a153229e1ebd06 @@ -84,3 +80,7 @@ https://repo.anaconda.com/pkgs/main/osx-64/scipy-1.11.4-py312h81688c2_0.conda#7d https://repo.anaconda.com/pkgs/main/osx-64/pandas-2.2.1-py312he282a81_0.conda#021b70a1e40efb75b89eb8ebdb347132 https://repo.anaconda.com/pkgs/main/osx-64/pyamg-4.2.3-py312h44cbcf4_0.conda#3bdc7be74087b3a5a83c520a74e1e8eb # pip cython @ https://files.pythonhosted.org/packages/d5/6d/06c08d75adb98cdf72af18801e193d22580cc86ca553610f430f18ea26b3/Cython-3.0.10-cp312-cp312-macosx_10_9_x86_64.whl#sha256=8f2864ab5fcd27a346f0b50f901ebeb8f60b25a60a575ccfd982e7f3e9674914 +# pip meson @ https://files.pythonhosted.org/packages/33/75/b1a37fa7b2dbca8c0dbb04d5cdd7e2720c8ef6febe41b4a74866350e041c/meson-1.4.0-py3-none-any.whl#sha256=476a458d51fcfa322a6bdc64da5138997c542d08e6b2e49b9fa68c46fd7c4475 +# pip threadpoolctl @ https://files.pythonhosted.org/packages/4b/2c/ffbf7a134b9ab11a67b0cf0726453cedd9c5043a4fe7a35d1cefa9a1bcfb/threadpoolctl-3.5.0-py3-none-any.whl#sha256=56c1e26c150397e58c4926da8eeee87533b1e32bef131bd4bf6a2f45f3185467 +# pip pyproject-metadata @ https://files.pythonhosted.org/packages/aa/5f/bb5970d3d04173b46c9037109f7f05fc8904ff5be073ee49bb6ff00301bc/pyproject_metadata-0.8.0-py3-none-any.whl#sha256=ad858d448e1d3a1fb408ac5bac9ea7743e7a8bbb472f2693aaa334d2db42f526 +# pip meson-python @ https://files.pythonhosted.org/packages/91/c0/104cb6244c83fe6bc3886f144cc433db0c0c78efac5dc00e409a5a08c87d/meson_python-0.16.0-py3-none-any.whl#sha256=842dc9f5dc29e55fc769ff1b6fe328412fe6c870220fc321060a1d2d395e69e8 diff --git a/build_tools/azure/pylatest_pip_openblas_pandas_environment.yml b/build_tools/azure/pylatest_pip_openblas_pandas_environment.yml index 0f82886f4acb2..adb7add7622e1 100644 --- a/build_tools/azure/pylatest_pip_openblas_pandas_environment.yml +++ b/build_tools/azure/pylatest_pip_openblas_pandas_environment.yml @@ -16,7 +16,7 @@ dependencies: - matplotlib - pandas - pyamg - - pytest<8 + - pytest - pytest-xdist - pillow - ninja diff --git a/build_tools/azure/pylatest_pip_openblas_pandas_linux-64_conda.lock b/build_tools/azure/pylatest_pip_openblas_pandas_linux-64_conda.lock index b2c4d1c5163e4..fb409d975c5a4 100644 --- a/build_tools/azure/pylatest_pip_openblas_pandas_linux-64_conda.lock +++ b/build_tools/azure/pylatest_pip_openblas_pandas_linux-64_conda.lock @@ -1,6 +1,6 @@ # Generated by conda-lock. # platform: linux-64 -# input_hash: d4063b0b99f7a39e30c5f6e2d9c5dd293d9b206ce326841bf811534ea1be79f0 +# input_hash: 37f8029b6bb116e0d5856093424791a8c1ddc3f493e20fcb5d02cd32d516523d @EXPLICIT https://repo.anaconda.com/pkgs/main/linux-64/_libgcc_mutex-0.1-main.conda#c3473ff8bdb3d124ed5ff11ec380d6f9 https://repo.anaconda.com/pkgs/main/linux-64/ca-certificates-2024.3.11-h06a4308_0.conda#08529eb3504712baabcbda266a19feb7 @@ -10,33 +10,33 @@ https://repo.anaconda.com/pkgs/main/linux-64/libgomp-11.2.0-h1234567_1.conda#b37 https://repo.anaconda.com/pkgs/main/linux-64/libstdcxx-ng-11.2.0-h1234567_1.conda#57623d10a70e09e1d048c2b2b6f4e2dd https://repo.anaconda.com/pkgs/main/linux-64/_openmp_mutex-5.1-1_gnu.conda#71d281e9c2192cb3fa425655a8defb85 https://repo.anaconda.com/pkgs/main/linux-64/libgcc-ng-11.2.0-h1234567_1.conda#a87728dabf3151fb9cfa990bd2eb0464 -https://repo.anaconda.com/pkgs/main/linux-64/libffi-3.4.4-h6a678d5_0.conda#06e288f9250abef59b9a367d151fc339 +https://repo.anaconda.com/pkgs/main/linux-64/libffi-3.4.4-h6a678d5_1.conda#70646cc713f0c43926cfdcfe9b695fe0 https://repo.anaconda.com/pkgs/main/linux-64/ncurses-6.4-h6a678d5_0.conda#5558eec6e2191741a92f832ea826251c -https://repo.anaconda.com/pkgs/main/linux-64/openssl-3.0.13-h7f8727e_0.conda#c73d46a4d666da0ae3dcd3fd8f805122 -https://repo.anaconda.com/pkgs/main/linux-64/xz-5.4.6-h5eee18b_0.conda#81a9916f581d4da15a3839216a487c66 -https://repo.anaconda.com/pkgs/main/linux-64/zlib-1.2.13-h5eee18b_0.conda#333e31fbfbb5057c92fa845ad6adef93 +https://repo.anaconda.com/pkgs/main/linux-64/openssl-3.0.13-h7f8727e_2.conda#0019453c25f5e72129f99236e60febaa +https://repo.anaconda.com/pkgs/main/linux-64/xz-5.4.6-h5eee18b_1.conda#1562802f843297ee776a50b9329597ed +https://repo.anaconda.com/pkgs/main/linux-64/zlib-1.2.13-h5eee18b_1.conda#92e42d8310108b0a440fb2e60b2b2a25 https://repo.anaconda.com/pkgs/main/linux-64/ccache-3.7.9-hfe4627d_0.conda#bef6fc681c273bb7bd0c67d1a591365e https://repo.anaconda.com/pkgs/main/linux-64/readline-8.2-h5eee18b_0.conda#be42180685cce6e6b0329201d9f48efb -https://repo.anaconda.com/pkgs/main/linux-64/tk-8.6.12-h1ccaba5_0.conda#fa10ff4aa631fa4aa090a6234d7770b9 -https://repo.anaconda.com/pkgs/main/linux-64/sqlite-3.41.2-h5eee18b_0.conda#c7086c9ceb6cfe1c4c729a774a2d88a5 -https://repo.anaconda.com/pkgs/main/linux-64/python-3.9.19-h955ad1f_0.conda#33cb019c40e3409df392c99e3c34f352 -https://repo.anaconda.com/pkgs/main/linux-64/setuptools-68.2.2-py39h06a4308_0.conda#5b42cae5548732ae5c167bb1066085de -https://repo.anaconda.com/pkgs/main/linux-64/wheel-0.41.2-py39h06a4308_0.conda#ec1b8213c3585defaa6042ed2f95861d -https://repo.anaconda.com/pkgs/main/linux-64/pip-23.3.1-py39h06a4308_0.conda#685007e3dae59d211620f19926577bd6 +https://repo.anaconda.com/pkgs/main/linux-64/tk-8.6.14-h39e8969_0.conda#78dbc5e3c69143ebc037fc5d5b22e597 +https://repo.anaconda.com/pkgs/main/linux-64/sqlite-3.45.3-h5eee18b_0.conda#acf93d6aceb74d6110e20b44cc45939e +https://repo.anaconda.com/pkgs/main/linux-64/python-3.9.19-h955ad1f_1.conda#4b453281859c293c9d577271f3b18a0d +https://repo.anaconda.com/pkgs/main/linux-64/setuptools-69.5.1-py39h06a4308_0.conda#3eb144d481b39c0fbbced789dd9b76b3 +https://repo.anaconda.com/pkgs/main/linux-64/wheel-0.43.0-py39h06a4308_0.conda#40bb60408c7433d767fd8c65b35bc4a0 +https://repo.anaconda.com/pkgs/main/linux-64/pip-24.0-py39h06a4308_0.conda#7f8ce3af15cfecd12e4dda8c5cef5fb7 # pip alabaster @ https://files.pythonhosted.org/packages/32/34/d4e1c02d3bee589efb5dfa17f88ea08bdb3e3eac12bc475462aec52ed223/alabaster-0.7.16-py3-none-any.whl#sha256=b46733c07dce03ae4e150330b975c75737fa60f0a7c591b6c8bf4928a28e2c92 -# pip babel @ https://files.pythonhosted.org/packages/0d/35/4196b21041e29a42dc4f05866d0c94fa26c9da88ce12c38c2265e42c82fb/Babel-2.14.0-py3-none-any.whl#sha256=efb1a25b7118e67ce3a259bed20545c29cb68be8ad2c784c83689981b7a57287 +# pip babel @ https://files.pythonhosted.org/packages/27/45/377f7e32a5c93d94cd56542349b34efab5ca3f9e2fd5a68c5e93169aa32d/Babel-2.15.0-py3-none-any.whl#sha256=08706bdad8d0a3413266ab61bd6c34d0c28d6e1e7badf40a2cebe67644e2e1fb # pip certifi @ https://files.pythonhosted.org/packages/ba/06/a07f096c664aeb9f01624f858c3add0a4e913d6c96257acb4fce61e7de14/certifi-2024.2.2-py3-none-any.whl#sha256=dc383c07b76109f368f6106eee2b593b04a011ea4d55f652c6ca24a754d1cdd1 # pip charset-normalizer @ https://files.pythonhosted.org/packages/98/69/5d8751b4b670d623aa7a47bef061d69c279e9f922f6705147983aa76c3ce/charset_normalizer-3.3.2-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl#sha256=b261ccdec7821281dade748d088bb6e9b69e6d15b30652b74cbbac25e280b796 # pip cycler @ https://files.pythonhosted.org/packages/e7/05/c19819d5e3d95294a6f5947fb9b9629efb316b96de511b418c53d245aae6/cycler-0.12.1-py3-none-any.whl#sha256=85cef7cff222d8644161529808465972e51340599459b8ac3ccbac5a854e0d30 # pip cython @ https://files.pythonhosted.org/packages/a7/f5/3dde4d96076888ceaa981827b098274c2b45ddd4b20d75a8cfaa92b91eec/Cython-3.0.10-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl#sha256=651a15a8534ebfb9b58cb0b87c269c70984b6f9c88bfe65e4f635f0e3f07dfcd -# pip docutils @ https://files.pythonhosted.org/packages/26/87/f238c0670b94533ac0353a4e2a1a771a0cc73277b88bff23d3ae35a256c1/docutils-0.20.1-py3-none-any.whl#sha256=96f387a2c5562db4476f09f13bbab2192e764cac08ebbf3a34a95d9b1e4a59d6 -# pip exceptiongroup @ https://files.pythonhosted.org/packages/b8/9a/5028fd52db10e600f1c4674441b968cf2ea4959085bfb5b99fb1250e5f68/exceptiongroup-1.2.0-py3-none-any.whl#sha256=4bfd3996ac73b41e9b9628b04e079f193850720ea5945fc96a08633c66912f14 +# pip docutils @ https://files.pythonhosted.org/packages/8f/d7/9322c609343d929e75e7e5e6255e614fcc67572cfd083959cdef3b7aad79/docutils-0.21.2-py3-none-any.whl#sha256=dafca5b9e384f0e419294eb4d2ff9fa826435bf15f15b7bd45723e8ad76811b2 +# pip exceptiongroup @ https://files.pythonhosted.org/packages/01/90/79fe92dd413a9cab314ef5c591b5aa9b9ba787ae4cadab75055b0ae00b33/exceptiongroup-1.2.1-py3-none-any.whl#sha256=5258b9ed329c5bbdd31a309f53cbfb0b155341807f6ff7606a1e801a891b29ad # pip execnet @ https://files.pythonhosted.org/packages/43/09/2aea36ff60d16dd8879bdb2f5b3ee0ba8d08cbbdcdfe870e695ce3784385/execnet-2.1.1-py3-none-any.whl#sha256=26dee51f1b80cebd6d0ca8e74dd8745419761d3bef34163928cbebbdc4749fdc -# pip fonttools @ https://files.pythonhosted.org/packages/8b/c6/636f008104908a93b80419f756be755bb91df4b8a0c88d5158bb52c82c3a/fonttools-4.51.0-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl#sha256=0d145976194a5242fdd22df18a1b451481a88071feadf251221af110ca8f00ce +# pip fonttools @ https://files.pythonhosted.org/packages/22/56/8b2ffe792b0a11d481ed797e0c246ee914b86370e317476c84d4fc537d95/fonttools-4.52.1-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl#sha256=ee2a8c1101d06cc8fca7851dceb67afd53dd6fc0288bacaa632e647bc5afff58 # pip idna @ https://files.pythonhosted.org/packages/e5/3e/741d8c82801c347547f8a2a06aa57dbb1992be9e948df2ea0eda2c8b79e8/idna-3.7-py3-none-any.whl#sha256=82fee1fc78add43492d3a1898bfa6d8a904cc97d8427f683ed8e798d07761aa0 # pip imagesize @ https://files.pythonhosted.org/packages/ff/62/85c4c919272577931d407be5ba5d71c20f0b616d31a0befe0ae45bb79abd/imagesize-1.4.1-py2.py3-none-any.whl#sha256=0d8d18d08f840c19d0ee7ca1fd82490fdc3729b7ac93f49870406ddde8ef8d8b # pip iniconfig @ https://files.pythonhosted.org/packages/ef/a6/62565a6e1cf69e10f5727360368e451d4b7f58beeac6173dc9db836a5b46/iniconfig-2.0.0-py3-none-any.whl#sha256=b6a85871a79d2e3b22d2d1b94ac2824226a63c6b741c88f7ae975f18b6778374 -# pip joblib @ https://files.pythonhosted.org/packages/ae/e2/4dea6313ef2b38442fccbbaf4017e50a6c3c8a50e8ee9b512783e5c90409/joblib-1.4.0-py3-none-any.whl#sha256=42942470d4062537be4d54c83511186da1fc14ba354961a2114da91efa9a4ed7 +# pip joblib @ https://files.pythonhosted.org/packages/91/29/df4b9b42f2be0b623cbd5e2140cafcaa2bef0759a00b7b70104dcfe2fb51/joblib-1.4.2-py3-none-any.whl#sha256=06d478d5674cbc267e7496a410ee875abd68e4340feff4490bcb7afb88060ae6 # pip kiwisolver @ https://files.pythonhosted.org/packages/c0/a8/841594f11d0b88d8aeb26991bc4dac38baa909dc58d0c4262a4f7893bcbf/kiwisolver-1.4.5-cp39-cp39-manylinux_2_12_x86_64.manylinux2010_x86_64.whl#sha256=6c3bd3cde54cafb87d74d8db50b909705c62b17c2099b8f2e25b461882e544ff # pip markupsafe @ https://files.pythonhosted.org/packages/5f/5a/360da85076688755ea0cceb92472923086993e86b5613bbae9fbc14136b0/MarkupSafe-2.1.5-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl#sha256=17b950fccb810b3293638215058e432159d2b71005c74371d784862b7e4683f3 # pip meson @ https://files.pythonhosted.org/packages/33/75/b1a37fa7b2dbca8c0dbb04d5cdd7e2720c8ef6febe41b4a74866350e041c/meson-1.4.0-py3-none-any.whl#sha256=476a458d51fcfa322a6bdc64da5138997c542d08e6b2e49b9fa68c46fd7c4475 @@ -45,8 +45,8 @@ https://repo.anaconda.com/pkgs/main/linux-64/pip-23.3.1-py39h06a4308_0.conda#685 # pip numpy @ https://files.pythonhosted.org/packages/54/30/c2a907b9443cf42b90c17ad10c1e8fa801975f01cb9764f3f8eb8aea638b/numpy-1.26.4-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl#sha256=f870204a840a60da0b12273ef34f7051e98c3b5961b61b0c2c1be6dfd64fbcd3 # pip packaging @ https://files.pythonhosted.org/packages/49/df/1fceb2f8900f8639e278b056416d49134fb8d84c5942ffaa01ad34782422/packaging-24.0-py3-none-any.whl#sha256=2ddfb553fdf02fb784c234c7ba6ccc288296ceabec964ad2eae3777778130bc5 # pip pillow @ https://files.pythonhosted.org/packages/f5/6d/52e82352670e850f468de9e6bccced4202a09f58e7ea5ecdbf08283d85cb/pillow-10.3.0-cp39-cp39-manylinux_2_28_x86_64.whl#sha256=1dfc94946bc60ea375cc39cff0b8da6c7e5f8fcdc1d946beb8da5c216156ddd8 -# pip pluggy @ https://files.pythonhosted.org/packages/a5/5b/0cc789b59e8cc1bf288b38111d002d8c5917123194d45b29dcdac64723cc/pluggy-1.4.0-py3-none-any.whl#sha256=7db9f7b503d67d1c5b95f59773ebb58a8c1c288129a88665838012cfb07b8981 -# pip pygments @ https://files.pythonhosted.org/packages/97/9c/372fef8377a6e340b1704768d20daaded98bf13282b5327beb2e2fe2c7ef/pygments-2.17.2-py3-none-any.whl#sha256=b27c2826c47d0f3219f29554824c30c5e8945175d888647acd804ddd04af846c +# pip pluggy @ https://files.pythonhosted.org/packages/88/5f/e351af9a41f866ac3f1fac4ca0613908d9a41741cfcf2228f4ad853b697d/pluggy-1.5.0-py3-none-any.whl#sha256=44e1ad92c8ca002de6377e165f3e0f1be63266ab4d554740532335b9d75ea669 +# pip pygments @ https://files.pythonhosted.org/packages/f7/3f/01c8b82017c199075f8f788d0d906b9ffbbc5a47dc9918a945e13d5a2bda/pygments-2.18.0-py3-none-any.whl#sha256=b8e6aca0523f3ab76fee51799c488e38782ac06eafcf95e7ba832985c8e7b13a # pip pyparsing @ https://files.pythonhosted.org/packages/9d/ea/6d76df31432a0e6fdf81681a895f009a4bb47b3c39036db3e1b528191d52/pyparsing-3.1.2-py3-none-any.whl#sha256=f9db75911801ed778fe61bb643079ff86601aca99fcae6345aa67292038fb742 # pip pytz @ https://files.pythonhosted.org/packages/9c/3d/a121f284241f08268b21359bd425f7d4825cffc5ac5cd0e1b3d82ffd2b10/pytz-2024.1-py2.py3-none-any.whl#sha256=328171f4e3623139da4983451950b28e95ac706e13f3f2630a879749e7a8b319 # pip six @ 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https://files.pythonhosted.org/packages/40/44/4a5f08c96eb108af5cb50b41f76142f0afa346dfa99d5296fe7202a11854/tabulate-0.9.0-py3-none-any.whl#sha256=024ca478df22e9340661486f85298cff5f6dcdba14f3813e8830015b9ed1948f -# pip threadpoolctl @ https://files.pythonhosted.org/packages/1e/84/ccd9b08653022b7785b6e3ee070ffb2825841e0dc119be22f0840b2b35cb/threadpoolctl-3.4.0-py3-none-any.whl#sha256=8f4c689a65b23e5ed825c8436a92b818aac005e0f3715f6a1664d7c7ee29d262 +# pip threadpoolctl @ https://files.pythonhosted.org/packages/4b/2c/ffbf7a134b9ab11a67b0cf0726453cedd9c5043a4fe7a35d1cefa9a1bcfb/threadpoolctl-3.5.0-py3-none-any.whl#sha256=56c1e26c150397e58c4926da8eeee87533b1e32bef131bd4bf6a2f45f3185467 # pip tomli @ https://files.pythonhosted.org/packages/97/75/10a9ebee3fd790d20926a90a2547f0bf78f371b2f13aa822c759680ca7b9/tomli-2.0.1-py3-none-any.whl#sha256=939de3e7a6161af0c887ef91b7d41a53e7c5a1ca976325f429cb46ea9bc30ecc # pip tzdata @ 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https://files.pythonhosted.org/packages/75/06/4df55e1b7b112d183f65db9503bff189e97179b256e1ea450a3c365241e0/importlib_resources-6.4.0-py3-none-any.whl#sha256=50d10f043df931902d4194ea07ec57960f66a80449ff867bfe782b4c486ba78c -# pip jinja2 @ https://files.pythonhosted.org/packages/30/6d/6de6be2d02603ab56e72997708809e8a5b0fbfee080735109b40a3564843/Jinja2-3.1.3-py3-none-any.whl#sha256=7d6d50dd97d52cbc355597bd845fabfbac3f551e1f99619e39a35ce8c370b5fa +# pip jinja2 @ https://files.pythonhosted.org/packages/31/80/3a54838c3fb461f6fec263ebf3a3a41771bd05190238de3486aae8540c36/jinja2-3.1.4-py3-none-any.whl#sha256=bc5dd2abb727a5319567b7a813e6a2e7318c39f4f487cfe6c89c6f9c7d25197d # pip lazy-loader @ https://files.pythonhosted.org/packages/83/60/d497a310bde3f01cb805196ac61b7ad6dc5dcf8dce66634dc34364b20b4f/lazy_loader-0.4-py3-none-any.whl#sha256=342aa8e14d543a154047afb4ba8ef17f5563baad3fc610d7b15b213b0f119efc -# pip pyproject-metadata @ 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https://files.pythonhosted.org/packages/ec/57/56b9bcc3c9c6a792fcbaf139543cee77261f3651ca9da0c93f5c1221264b/python_dateutil-2.9.0.post0-py2.py3-none-any.whl#sha256=a8b2bc7bffae282281c8140a97d3aa9c14da0b136dfe83f850eea9a5f7470427 -# pip requests @ https://files.pythonhosted.org/packages/70/8e/0e2d847013cb52cd35b38c009bb167a1a26b2ce6cd6965bf26b47bc0bf44/requests-2.31.0-py3-none-any.whl#sha256=58cd2187c01e70e6e26505bca751777aa9f2ee0b7f4300988b709f44e013003f -# pip scipy @ https://files.pythonhosted.org/packages/c6/ba/a778e6c0020d728c119b0379805a357135fe8c9bc87fdb7e0750ca11319f/scipy-1.13.0-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl#sha256=28e286bf9ac422d6beb559bc61312c348ca9b0f0dae0d7c5afde7f722d6ea13d -# pip tifffile @ https://files.pythonhosted.org/packages/cd/0b/33610b4d0d1bb83a6bfd20ed838f52e02a44e9b439116cd4f3d424e81a80/tifffile-2024.2.12-py3-none-any.whl#sha256=870998f82fbc94ff7c3528884c1b0ae54863504ff51dbebea431ac3fa8fb7c21 +# pip requests @ https://files.pythonhosted.org/packages/c3/20/748e38b466e0819491f0ce6e90ebe4184966ee304fe483e2c414b0f4ef07/requests-2.32.2-py3-none-any.whl#sha256=fc06670dd0ed212426dfeb94fc1b983d917c4f9847c863f313c9dfaaffb7c23c +# pip scipy @ https://files.pythonhosted.org/packages/35/f5/d0ad1a96f80962ba65e2ce1de6a1e59edecd1f0a7b55990ed208848012e0/scipy-1.13.1-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl#sha256=637e98dcf185ba7f8e663e122ebf908c4702420477ae52a04f9908707456ba4d +# pip tifffile @ https://files.pythonhosted.org/packages/d9/6c/740c07588434e86028c24b0653c1eb6b46904d9ce585a20f07590620ec41/tifffile-2024.5.22-py3-none-any.whl#sha256=e281781c15d7d197d7e12749849c965651413aa905f97a48b0f84bd90a3b4c6f # pip lightgbm @ https://files.pythonhosted.org/packages/ba/11/cb8b67f3cbdca05b59a032bb57963d4fe8c8d18c3870f30bed005b7f174d/lightgbm-4.3.0-py3-none-manylinux_2_28_x86_64.whl#sha256=104496a3404cb2452d3412cbddcfbfadbef9c372ea91e3a9b8794bcc5183bf07 -# pip matplotlib @ https://files.pythonhosted.org/packages/5e/2c/513395a63a9e1124a5648addbf73be23cc603f955af026b04416da98dc96/matplotlib-3.8.4-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl#sha256=606e3b90897554c989b1e38a258c626d46c873523de432b1462f295db13de6f9 -# pip meson-python @ https://files.pythonhosted.org/packages/1f/60/b10b11ab470a690d5777310d6cfd1c9bdbbb0a1313a78c34a1e82e0b9d27/meson_python-0.15.0-py3-none-any.whl#sha256=3ae38253ff02b2e947a05e362a2eaf5a9a09d133c5666b4123399ee5fbf2e591 +# pip matplotlib @ https://files.pythonhosted.org/packages/d3/6d/45837c5b3d0005a5a9b04729b218a16bf3aa195701c6b33b2cc39ae943b6/matplotlib-3.9.0-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl#sha256=81c40af649d19c85f8073e25e5806926986806fa6d54be506fbf02aef47d5a89 +# pip meson-python @ https://files.pythonhosted.org/packages/91/c0/104cb6244c83fe6bc3886f144cc433db0c0c78efac5dc00e409a5a08c87d/meson_python-0.16.0-py3-none-any.whl#sha256=842dc9f5dc29e55fc769ff1b6fe328412fe6c870220fc321060a1d2d395e69e8 # pip pandas @ https://files.pythonhosted.org/packages/bb/30/f6f1f1ac36250f50c421b1b6af08c35e5a8b5a84385ef928625336b93e6f/pandas-2.2.2-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl#sha256=66b479b0bd07204e37583c191535505410daa8df638fd8e75ae1b383851fe921 # pip pyamg @ https://files.pythonhosted.org/packages/68/a9/aed9f557e7eb779d2cb4fa090663f8540979e0c04dadd16e9a0bdc9632c5/pyamg-5.1.0-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl#sha256=5817d4567fb240dab4779bb1630bbb3035b3827731fcdaeb9ecc9c8814319995 # pip pytest-cov @ https://files.pythonhosted.org/packages/78/3a/af5b4fa5961d9a1e6237b530eb87dd04aea6eb83da09d2a4073d81b54ccf/pytest_cov-5.0.0-py3-none-any.whl#sha256=4f0764a1219df53214206bf1feea4633c3b558a2925c8b59f144f682861ce652 -# pip pytest-xdist @ https://files.pythonhosted.org/packages/50/37/125fe5ec459321e2d48a0c38672cfc2419ad87d580196fd894e5f25230b0/pytest_xdist-3.5.0-py3-none-any.whl#sha256=d075629c7e00b611df89f490a5063944bee7a4362a5ff11c7cc7824a03dfce24 +# pip pytest-xdist @ https://files.pythonhosted.org/packages/6d/82/1d96bf03ee4c0fdc3c0cbe61470070e659ca78dc0086fb88b66c185e2449/pytest_xdist-3.6.1-py3-none-any.whl#sha256=9ed4adfb68a016610848639bb7e02c9352d5d9f03d04809919e2dafc3be4cca7 # pip scikit-image @ https://files.pythonhosted.org/packages/a3/7e/4cd853a855ac34b4ef3ef6a5c3d1c2e96eaca1154fc6be75db55ffa87393/scikit_image-0.22.0-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl#sha256=3b7a6c89e8d6252332121b58f50e1625c35f7d6a85489c0b6b7ee4f5155d547a -# pip sphinx @ https://files.pythonhosted.org/packages/b2/b6/8ed35256aa530a9d3da15d20bdc0ba888d5364441bb50a5a83ee7827affe/sphinx-7.2.6-py3-none-any.whl#sha256=1e09160a40b956dc623c910118fa636da93bd3ca0b9876a7b3df90f07d691560 +# pip sphinx @ https://files.pythonhosted.org/packages/b4/fa/130c32ed94cf270e3d0b9ded16fb7b2c8fea86fa7263c29a696a30c1dde7/sphinx-7.3.7-py3-none-any.whl#sha256=413f75440be4cacf328f580b4274ada4565fb2187d696a84970c23f77b64d8c3 # pip numpydoc @ https://files.pythonhosted.org/packages/f0/fa/dcfe0f65660661db757ee9ebd84e170ff98edd5d80235f62457d9088f85f/numpydoc-1.7.0-py3-none-any.whl#sha256=5a56419d931310d79a06cfc2a126d1558700feeb9b4f3d8dcae1a8134be829c9 diff --git a/build_tools/azure/pylatest_pip_scipy_dev_environment.yml b/build_tools/azure/pylatest_pip_scipy_dev_environment.yml index 7d8e7a66d987e..01709b79e3720 100644 --- a/build_tools/azure/pylatest_pip_scipy_dev_environment.yml +++ b/build_tools/azure/pylatest_pip_scipy_dev_environment.yml @@ -9,7 +9,7 @@ dependencies: - pip - pip: - threadpoolctl - - pytest<8 + - pytest - pytest-xdist - pip - ninja diff --git a/build_tools/azure/pylatest_pip_scipy_dev_linux-64_conda.lock b/build_tools/azure/pylatest_pip_scipy_dev_linux-64_conda.lock index b5f1d7613fa72..370dd97916518 100644 --- a/build_tools/azure/pylatest_pip_scipy_dev_linux-64_conda.lock +++ b/build_tools/azure/pylatest_pip_scipy_dev_linux-64_conda.lock @@ -1,6 +1,6 @@ # Generated by conda-lock. # platform: linux-64 -# input_hash: 777413179f12c3f7972520657eb2c826ffd6ff4c15e5da73631696b7ef07c3f2 +# input_hash: 8a4a203136d97ff3b2c8657fce2dd2228215bfbf9c1cfbe271e401f934bdf1a7 @EXPLICIT https://repo.anaconda.com/pkgs/main/linux-64/_libgcc_mutex-0.1-main.conda#c3473ff8bdb3d124ed5ff11ec380d6f9 https://repo.anaconda.com/pkgs/main/linux-64/ca-certificates-2024.3.11-h06a4308_0.conda#08529eb3504712baabcbda266a19feb7 @@ -10,28 +10,28 @@ https://repo.anaconda.com/pkgs/main/linux-64/libgomp-11.2.0-h1234567_1.conda#b37 https://repo.anaconda.com/pkgs/main/linux-64/libstdcxx-ng-11.2.0-h1234567_1.conda#57623d10a70e09e1d048c2b2b6f4e2dd https://repo.anaconda.com/pkgs/main/linux-64/_openmp_mutex-5.1-1_gnu.conda#71d281e9c2192cb3fa425655a8defb85 https://repo.anaconda.com/pkgs/main/linux-64/libgcc-ng-11.2.0-h1234567_1.conda#a87728dabf3151fb9cfa990bd2eb0464 -https://repo.anaconda.com/pkgs/main/linux-64/bzip2-1.0.8-h5eee18b_5.conda#9c8dec113089c4aca7392c6a3864f505 -https://repo.anaconda.com/pkgs/main/linux-64/expat-2.5.0-h6a678d5_0.conda#9a21d99d49a0a556cf9590430dec8ec0 -https://repo.anaconda.com/pkgs/main/linux-64/libffi-3.4.4-h6a678d5_0.conda#06e288f9250abef59b9a367d151fc339 +https://repo.anaconda.com/pkgs/main/linux-64/bzip2-1.0.8-h5eee18b_6.conda#f21a3ff51c1b271977f53ce956a69297 +https://repo.anaconda.com/pkgs/main/linux-64/expat-2.6.2-h6a678d5_0.conda#55049db2772dae035f6b8a95f72b5970 +https://repo.anaconda.com/pkgs/main/linux-64/libffi-3.4.4-h6a678d5_1.conda#70646cc713f0c43926cfdcfe9b695fe0 https://repo.anaconda.com/pkgs/main/linux-64/libuuid-1.41.5-h5eee18b_0.conda#4a6a2354414c9080327274aa514e5299 https://repo.anaconda.com/pkgs/main/linux-64/ncurses-6.4-h6a678d5_0.conda#5558eec6e2191741a92f832ea826251c -https://repo.anaconda.com/pkgs/main/linux-64/openssl-3.0.13-h7f8727e_0.conda#c73d46a4d666da0ae3dcd3fd8f805122 -https://repo.anaconda.com/pkgs/main/linux-64/xz-5.4.6-h5eee18b_0.conda#81a9916f581d4da15a3839216a487c66 -https://repo.anaconda.com/pkgs/main/linux-64/zlib-1.2.13-h5eee18b_0.conda#333e31fbfbb5057c92fa845ad6adef93 +https://repo.anaconda.com/pkgs/main/linux-64/openssl-3.0.13-h7f8727e_2.conda#0019453c25f5e72129f99236e60febaa +https://repo.anaconda.com/pkgs/main/linux-64/xz-5.4.6-h5eee18b_1.conda#1562802f843297ee776a50b9329597ed +https://repo.anaconda.com/pkgs/main/linux-64/zlib-1.2.13-h5eee18b_1.conda#92e42d8310108b0a440fb2e60b2b2a25 https://repo.anaconda.com/pkgs/main/linux-64/ccache-3.7.9-hfe4627d_0.conda#bef6fc681c273bb7bd0c67d1a591365e https://repo.anaconda.com/pkgs/main/linux-64/readline-8.2-h5eee18b_0.conda#be42180685cce6e6b0329201d9f48efb -https://repo.anaconda.com/pkgs/main/linux-64/tk-8.6.12-h1ccaba5_0.conda#fa10ff4aa631fa4aa090a6234d7770b9 -https://repo.anaconda.com/pkgs/main/linux-64/sqlite-3.41.2-h5eee18b_0.conda#c7086c9ceb6cfe1c4c729a774a2d88a5 -https://repo.anaconda.com/pkgs/main/linux-64/python-3.12.2-h996f2a0_0.conda#bc4748d0d26253c8499a3abeca289469 -https://repo.anaconda.com/pkgs/main/linux-64/setuptools-68.2.2-py312h06a4308_0.conda#83ba634cde4f30d9e0b88e4ac9716ca4 -https://repo.anaconda.com/pkgs/main/linux-64/wheel-0.41.2-py312h06a4308_0.conda#b2c4f82880d58d679f3982370d80c0e2 -https://repo.anaconda.com/pkgs/main/linux-64/pip-23.3.1-py312h06a4308_0.conda#e1d44bca4a257e84af33503233491107 +https://repo.anaconda.com/pkgs/main/linux-64/tk-8.6.14-h39e8969_0.conda#78dbc5e3c69143ebc037fc5d5b22e597 +https://repo.anaconda.com/pkgs/main/linux-64/sqlite-3.45.3-h5eee18b_0.conda#acf93d6aceb74d6110e20b44cc45939e +https://repo.anaconda.com/pkgs/main/linux-64/python-3.12.3-h996f2a0_1.conda#0e22ed7e6df024e4f7467e75c8575301 +https://repo.anaconda.com/pkgs/main/linux-64/setuptools-69.5.1-py312h06a4308_0.conda#ce85d9a864a73e0b12d31a97733c9fca +https://repo.anaconda.com/pkgs/main/linux-64/wheel-0.43.0-py312h06a4308_0.conda#18d5f3b68a175c72576876db4afc9e9e +https://repo.anaconda.com/pkgs/main/linux-64/pip-24.0-py312h06a4308_0.conda#6d9697bb8b9f3212be10b3b8e01a12b9 # pip alabaster @ https://files.pythonhosted.org/packages/32/34/d4e1c02d3bee589efb5dfa17f88ea08bdb3e3eac12bc475462aec52ed223/alabaster-0.7.16-py3-none-any.whl#sha256=b46733c07dce03ae4e150330b975c75737fa60f0a7c591b6c8bf4928a28e2c92 -# pip babel @ https://files.pythonhosted.org/packages/0d/35/4196b21041e29a42dc4f05866d0c94fa26c9da88ce12c38c2265e42c82fb/Babel-2.14.0-py3-none-any.whl#sha256=efb1a25b7118e67ce3a259bed20545c29cb68be8ad2c784c83689981b7a57287 +# pip babel @ https://files.pythonhosted.org/packages/27/45/377f7e32a5c93d94cd56542349b34efab5ca3f9e2fd5a68c5e93169aa32d/Babel-2.15.0-py3-none-any.whl#sha256=08706bdad8d0a3413266ab61bd6c34d0c28d6e1e7badf40a2cebe67644e2e1fb # pip certifi @ https://files.pythonhosted.org/packages/ba/06/a07f096c664aeb9f01624f858c3add0a4e913d6c96257acb4fce61e7de14/certifi-2024.2.2-py3-none-any.whl#sha256=dc383c07b76109f368f6106eee2b593b04a011ea4d55f652c6ca24a754d1cdd1 # pip charset-normalizer @ https://files.pythonhosted.org/packages/ee/fb/14d30eb4956408ee3ae09ad34299131fb383c47df355ddb428a7331cfa1e/charset_normalizer-3.3.2-cp312-cp312-manylinux_2_17_x86_64.manylinux2014_x86_64.whl#sha256=90d558489962fd4918143277a773316e56c72da56ec7aa3dc3dbbe20fdfed15b -# pip coverage @ 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https://files.pythonhosted.org/packages/8f/d7/9322c609343d929e75e7e5e6255e614fcc67572cfd083959cdef3b7aad79/docutils-0.21.2-py3-none-any.whl#sha256=dafca5b9e384f0e419294eb4d2ff9fa826435bf15f15b7bd45723e8ad76811b2 # pip execnet @ https://files.pythonhosted.org/packages/43/09/2aea36ff60d16dd8879bdb2f5b3ee0ba8d08cbbdcdfe870e695ce3784385/execnet-2.1.1-py3-none-any.whl#sha256=26dee51f1b80cebd6d0ca8e74dd8745419761d3bef34163928cbebbdc4749fdc # pip idna @ https://files.pythonhosted.org/packages/e5/3e/741d8c82801c347547f8a2a06aa57dbb1992be9e948df2ea0eda2c8b79e8/idna-3.7-py3-none-any.whl#sha256=82fee1fc78add43492d3a1898bfa6d8a904cc97d8427f683ed8e798d07761aa0 # pip imagesize @ https://files.pythonhosted.org/packages/ff/62/85c4c919272577931d407be5ba5d71c20f0b616d31a0befe0ae45bb79abd/imagesize-1.4.1-py2.py3-none-any.whl#sha256=0d8d18d08f840c19d0ee7ca1fd82490fdc3729b7ac93f49870406ddde8ef8d8b @@ -40,9 +40,9 @@ https://repo.anaconda.com/pkgs/main/linux-64/pip-23.3.1-py312h06a4308_0.conda#e1 # pip meson @ https://files.pythonhosted.org/packages/33/75/b1a37fa7b2dbca8c0dbb04d5cdd7e2720c8ef6febe41b4a74866350e041c/meson-1.4.0-py3-none-any.whl#sha256=476a458d51fcfa322a6bdc64da5138997c542d08e6b2e49b9fa68c46fd7c4475 # pip ninja @ https://files.pythonhosted.org/packages/6d/92/8d7aebd4430ab5ff65df2bfee6d5745f95c004284db2d8ca76dcbfd9de47/ninja-1.11.1.1-py2.py3-none-manylinux1_x86_64.manylinux_2_5_x86_64.whl#sha256=84502ec98f02a037a169c4b0d5d86075eaf6afc55e1879003d6cab51ced2ea4b # pip packaging @ https://files.pythonhosted.org/packages/49/df/1fceb2f8900f8639e278b056416d49134fb8d84c5942ffaa01ad34782422/packaging-24.0-py3-none-any.whl#sha256=2ddfb553fdf02fb784c234c7ba6ccc288296ceabec964ad2eae3777778130bc5 -# pip platformdirs @ https://files.pythonhosted.org/packages/55/72/4898c44ee9ea6f43396fbc23d9bfaf3d06e01b83698bdf2e4c919deceb7c/platformdirs-4.2.0-py3-none-any.whl#sha256=0614df2a2f37e1a662acbd8e2b25b92ccf8632929bc6d43467e17fe89c75e068 -# pip pluggy @ 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https://repo.anaconda.com/pkgs/main/linux-64/pip-23.3.1-py312h06a4308_0.conda#e1 # pip sphinxcontrib-qthelp @ https://files.pythonhosted.org/packages/80/b3/1beac14a88654d2e5120d0143b49be5ad450b86eb1963523d8dbdcc51eb2/sphinxcontrib_qthelp-1.0.7-py3-none-any.whl#sha256=e2ae3b5c492d58fcbd73281fbd27e34b8393ec34a073c792642cd8e529288182 # pip sphinxcontrib-serializinghtml @ https://files.pythonhosted.org/packages/38/24/228bb903ea87b9e08ab33470e6102402a644127108c7117ac9c00d849f82/sphinxcontrib_serializinghtml-1.1.10-py3-none-any.whl#sha256=326369b8df80a7d2d8d7f99aa5ac577f51ea51556ed974e7716cfd4fca3f6cb7 # pip tabulate @ https://files.pythonhosted.org/packages/40/44/4a5f08c96eb108af5cb50b41f76142f0afa346dfa99d5296fe7202a11854/tabulate-0.9.0-py3-none-any.whl#sha256=024ca478df22e9340661486f85298cff5f6dcdba14f3813e8830015b9ed1948f -# pip threadpoolctl @ 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https://files.pythonhosted.org/packages/50/37/125fe5ec459321e2d48a0c38672cfc2419ad87d580196fd894e5f25230b0/pytest_xdist-3.5.0-py3-none-any.whl#sha256=d075629c7e00b611df89f490a5063944bee7a4362a5ff11c7cc7824a03dfce24 -# pip sphinx @ https://files.pythonhosted.org/packages/b2/b6/8ed35256aa530a9d3da15d20bdc0ba888d5364441bb50a5a83ee7827affe/sphinx-7.2.6-py3-none-any.whl#sha256=1e09160a40b956dc623c910118fa636da93bd3ca0b9876a7b3df90f07d691560 +# pip pytest-xdist @ https://files.pythonhosted.org/packages/6d/82/1d96bf03ee4c0fdc3c0cbe61470070e659ca78dc0086fb88b66c185e2449/pytest_xdist-3.6.1-py3-none-any.whl#sha256=9ed4adfb68a016610848639bb7e02c9352d5d9f03d04809919e2dafc3be4cca7 +# pip sphinx @ https://files.pythonhosted.org/packages/b4/fa/130c32ed94cf270e3d0b9ded16fb7b2c8fea86fa7263c29a696a30c1dde7/sphinx-7.3.7-py3-none-any.whl#sha256=413f75440be4cacf328f580b4274ada4565fb2187d696a84970c23f77b64d8c3 # pip numpydoc @ https://files.pythonhosted.org/packages/f0/fa/dcfe0f65660661db757ee9ebd84e170ff98edd5d80235f62457d9088f85f/numpydoc-1.7.0-py3-none-any.whl#sha256=5a56419d931310d79a06cfc2a126d1558700feeb9b4f3d8dcae1a8134be829c9 diff --git a/build_tools/azure/pymin_conda_defaults_openblas_environment.yml b/build_tools/azure/pymin_conda_defaults_openblas_environment.yml index a422a0a539c53..a82ba18e27980 100644 --- a/build_tools/azure/pymin_conda_defaults_openblas_environment.yml +++ b/build_tools/azure/pymin_conda_defaults_openblas_environment.yml @@ -8,11 +8,11 @@ dependencies: - numpy=1.21 - blas[build=openblas] - scipy=1.7 - - joblib - - threadpoolctl=2.2.0 + - cython=3.0.10 # min + - joblib=1.2.0 # min - matplotlib=3.3.4 # min - pyamg - - pytest<8 + - pytest - pytest-xdist - pillow - pytest-cov @@ -20,4 +20,4 @@ dependencies: - ccache - pip - pip: - - cython==3.0.10 # min + - threadpoolctl==3.1.0 # min diff --git a/build_tools/azure/pymin_conda_defaults_openblas_linux-64_conda.lock b/build_tools/azure/pymin_conda_defaults_openblas_linux-64_conda.lock index 4e64af1960718..deb9f11010bd9 100644 --- a/build_tools/azure/pymin_conda_defaults_openblas_linux-64_conda.lock +++ b/build_tools/azure/pymin_conda_defaults_openblas_linux-64_conda.lock @@ -1,6 +1,6 @@ # Generated by conda-lock. # platform: linux-64 -# input_hash: 3d6bcb087065974114c1567c8dccd947a7376a7503b3514d82904299b651692d +# input_hash: be0f080ab1974d224952262cd9179ff999d10108421d7e7ded2435e6f08edf0e @EXPLICIT https://repo.anaconda.com/pkgs/main/linux-64/_libgcc_mutex-0.1-main.conda#c3473ff8bdb3d124ed5ff11ec380d6f9 https://repo.anaconda.com/pkgs/main/linux-64/blas-1.0-openblas.conda#9ddfcaef10d79366c90128f5dc444be8 @@ -13,41 +13,41 @@ https://repo.anaconda.com/pkgs/main/linux-64/libgomp-11.2.0-h1234567_1.conda#b37 https://repo.anaconda.com/pkgs/main/linux-64/libstdcxx-ng-11.2.0-h1234567_1.conda#57623d10a70e09e1d048c2b2b6f4e2dd https://repo.anaconda.com/pkgs/main/linux-64/_openmp_mutex-5.1-1_gnu.conda#71d281e9c2192cb3fa425655a8defb85 https://repo.anaconda.com/pkgs/main/linux-64/libgcc-ng-11.2.0-h1234567_1.conda#a87728dabf3151fb9cfa990bd2eb0464 -https://repo.anaconda.com/pkgs/main/linux-64/bzip2-1.0.8-h5eee18b_5.conda#9c8dec113089c4aca7392c6a3864f505 -https://repo.anaconda.com/pkgs/main/linux-64/expat-2.5.0-h6a678d5_0.conda#9a21d99d49a0a556cf9590430dec8ec0 +https://repo.anaconda.com/pkgs/main/linux-64/bzip2-1.0.8-h5eee18b_6.conda#f21a3ff51c1b271977f53ce956a69297 +https://repo.anaconda.com/pkgs/main/linux-64/expat-2.6.2-h6a678d5_0.conda#55049db2772dae035f6b8a95f72b5970 https://repo.anaconda.com/pkgs/main/linux-64/fftw-3.3.9-h5eee18b_2.conda#db1df41113accc18ec59a99f1631bfcd https://repo.anaconda.com/pkgs/main/linux-64/icu-73.1-h6a678d5_0.conda#6d09df641fc23f7d277a04dc7ea32dd4 https://repo.anaconda.com/pkgs/main/linux-64/jpeg-9e-h5eee18b_1.conda#ac373800fda872108412d1ccfe3fa572 https://repo.anaconda.com/pkgs/main/linux-64/lerc-3.0-h295c915_0.conda#b97309770412f10bed8d9448f6f98f87 https://repo.anaconda.com/pkgs/main/linux-64/libdeflate-1.17-h5eee18b_1.conda#82831ef0b6c9595382d74e0c281f6742 -https://repo.anaconda.com/pkgs/main/linux-64/libffi-3.4.4-h6a678d5_0.conda#06e288f9250abef59b9a367d151fc339 -https://repo.anaconda.com/pkgs/main/linux-64/libiconv-1.16-h7f8727e_2.conda#80d4bc7d7e58b5f0be41d763f60994f5 +https://repo.anaconda.com/pkgs/main/linux-64/libffi-3.4.4-h6a678d5_1.conda#70646cc713f0c43926cfdcfe9b695fe0 +https://repo.anaconda.com/pkgs/main/linux-64/libiconv-1.16-h5eee18b_3.conda#197b1a0886a31fccab2167340528eebc https://repo.anaconda.com/pkgs/main/linux-64/libopenblas-0.3.21-h043d6bf_0.conda#7f7324dcc3c4761a14f3e4ac443235a7 https://repo.anaconda.com/pkgs/main/linux-64/libuuid-1.41.5-h5eee18b_0.conda#4a6a2354414c9080327274aa514e5299 https://repo.anaconda.com/pkgs/main/linux-64/libwebp-base-1.3.2-h5eee18b_0.conda#9179fc7baefa1e027f572edbc519d805 https://repo.anaconda.com/pkgs/main/linux-64/libxcb-1.15-h7f8727e_0.conda#ada518dcadd6aaee9aae47ba9a671553 -https://repo.anaconda.com/pkgs/main/linux-64/lz4-c-1.9.4-h6a678d5_0.conda#53915e9402180a7f22ea619c41089520 +https://repo.anaconda.com/pkgs/main/linux-64/lz4-c-1.9.4-h6a678d5_1.conda#2ee58861f2b92b868ce761abb831819d https://repo.anaconda.com/pkgs/main/linux-64/ncurses-6.4-h6a678d5_0.conda#5558eec6e2191741a92f832ea826251c -https://repo.anaconda.com/pkgs/main/linux-64/openssl-3.0.13-h7f8727e_0.conda#c73d46a4d666da0ae3dcd3fd8f805122 -https://repo.anaconda.com/pkgs/main/linux-64/xz-5.4.6-h5eee18b_0.conda#81a9916f581d4da15a3839216a487c66 -https://repo.anaconda.com/pkgs/main/linux-64/zlib-1.2.13-h5eee18b_0.conda#333e31fbfbb5057c92fa845ad6adef93 +https://repo.anaconda.com/pkgs/main/linux-64/openssl-3.0.13-h7f8727e_2.conda#0019453c25f5e72129f99236e60febaa +https://repo.anaconda.com/pkgs/main/linux-64/xz-5.4.6-h5eee18b_1.conda#1562802f843297ee776a50b9329597ed +https://repo.anaconda.com/pkgs/main/linux-64/zlib-1.2.13-h5eee18b_1.conda#92e42d8310108b0a440fb2e60b2b2a25 https://repo.anaconda.com/pkgs/main/linux-64/ccache-3.7.9-hfe4627d_0.conda#bef6fc681c273bb7bd0c67d1a591365e https://repo.anaconda.com/pkgs/main/linux-64/libcups-2.4.2-h2d74bed_1.conda#3f265c2172a9e8c90a74037b6fa13685 https://repo.anaconda.com/pkgs/main/linux-64/libedit-3.1.20230828-h5eee18b_0.conda#850eb5a9d2d7d3c66cce12e84406ca08 https://repo.anaconda.com/pkgs/main/linux-64/libllvm14-14.0.6-hdb19cb5_3.conda#aefea2b45cf32f12b4f1ffaa70aa3201 https://repo.anaconda.com/pkgs/main/linux-64/libpng-1.6.39-h5eee18b_0.conda#f6aee38184512eb05b06c2e94d39ab22 -https://repo.anaconda.com/pkgs/main/linux-64/libxml2-2.10.4-hf1b16e4_1.conda#e87849ce513f9968794f20bba620e6a4 -https://repo.anaconda.com/pkgs/main/linux-64/pcre2-10.42-hebb0a14_0.conda#fca6dea6ce1eddd0876a024f62c5097a +https://repo.anaconda.com/pkgs/main/linux-64/libxml2-2.10.4-hfdd30dd_2.conda#ff7a0e3b92afb3c99b82c9f0ba8b5670 +https://repo.anaconda.com/pkgs/main/linux-64/pcre2-10.42-hebb0a14_1.conda#727e15c3cfa02b032da4eb0c1123e977 https://repo.anaconda.com/pkgs/main/linux-64/readline-8.2-h5eee18b_0.conda#be42180685cce6e6b0329201d9f48efb -https://repo.anaconda.com/pkgs/main/linux-64/tk-8.6.12-h1ccaba5_0.conda#fa10ff4aa631fa4aa090a6234d7770b9 -https://repo.anaconda.com/pkgs/main/linux-64/zstd-1.5.5-hc292b87_0.conda#0f59d57dc21f585f4c282d60dfb46505 +https://repo.anaconda.com/pkgs/main/linux-64/tk-8.6.14-h39e8969_0.conda#78dbc5e3c69143ebc037fc5d5b22e597 +https://repo.anaconda.com/pkgs/main/linux-64/zstd-1.5.5-hc292b87_2.conda#3b7fe809e5b429b4f90fe064842a2370 https://repo.anaconda.com/pkgs/main/linux-64/freetype-2.12.1-h4a9f257_0.conda#bdc7b5952e9c5dca01bc2f4ccef2f974 https://repo.anaconda.com/pkgs/main/linux-64/krb5-1.20.1-h143b758_1.conda#cf1accc86321fa25d6b978cc748039ae https://repo.anaconda.com/pkgs/main/linux-64/libclang13-14.0.6-default_he11475f_1.conda#44890feda1cf51639d9c94afbacce011 https://repo.anaconda.com/pkgs/main/linux-64/libglib-2.78.4-hdc74915_0.conda#2f6d27741e931d5b6ba56e1a1312aaf0 https://repo.anaconda.com/pkgs/main/linux-64/libtiff-4.5.1-h6a678d5_0.conda#235a671f74f0c4ecad9f9b3b107e3566 https://repo.anaconda.com/pkgs/main/linux-64/libxkbcommon-1.0.1-h5eee18b_1.conda#888b2e8f1bbf21017c503826e2d24b50 -https://repo.anaconda.com/pkgs/main/linux-64/sqlite-3.41.2-h5eee18b_0.conda#c7086c9ceb6cfe1c4c729a774a2d88a5 +https://repo.anaconda.com/pkgs/main/linux-64/sqlite-3.45.3-h5eee18b_0.conda#acf93d6aceb74d6110e20b44cc45939e https://repo.anaconda.com/pkgs/main/linux-64/cyrus-sasl-2.1.28-h52b45da_1.conda#d634af1577e4008f9228ae96ce671c44 https://repo.anaconda.com/pkgs/main/linux-64/fontconfig-2.14.1-h4c34cd2_2.conda#f0b472f5b544f8d57beb09ed4a2932e1 https://repo.anaconda.com/pkgs/main/linux-64/glib-tools-2.78.4-h6a678d5_0.conda#3dbe6227cd59818dca9afb75ccb70708 @@ -55,9 +55,10 @@ https://repo.anaconda.com/pkgs/main/linux-64/lcms2-2.12-h3be6417_0.conda#719db47 https://repo.anaconda.com/pkgs/main/linux-64/libclang-14.0.6-default_hc6dbbc7_1.conda#8f12583c4027b2861cff470f6b8837c4 https://repo.anaconda.com/pkgs/main/linux-64/libpq-12.17-hdbd6064_0.conda#6bed363e25859faff66bf546a11c10e8 https://repo.anaconda.com/pkgs/main/linux-64/openjpeg-2.4.0-h3ad879b_0.conda#86baecb47ecaa7f7ff2657a1f03b90c9 -https://repo.anaconda.com/pkgs/main/linux-64/python-3.9.19-h955ad1f_0.conda#33cb019c40e3409df392c99e3c34f352 +https://repo.anaconda.com/pkgs/main/linux-64/python-3.9.19-h955ad1f_1.conda#4b453281859c293c9d577271f3b18a0d https://repo.anaconda.com/pkgs/main/linux-64/certifi-2024.2.2-py39h06a4308_0.conda#2bc1db9166ecbb968f61252e6f08c2ce https://repo.anaconda.com/pkgs/main/noarch/cycler-0.11.0-pyhd3eb1b0_0.conda#f5e365d2cdb66d547eb8c3ab93843aab +https://repo.anaconda.com/pkgs/main/linux-64/cython-3.0.10-py39h5eee18b_0.conda#1419a658ed2b4d5c3ac1964f33143b64 https://repo.anaconda.com/pkgs/main/linux-64/exceptiongroup-1.2.0-py39h06a4308_0.conda#960e2cb83ac5134df8e593a130aa11af https://repo.anaconda.com/pkgs/main/noarch/execnet-1.9.0-pyhd3eb1b0_0.conda#f895937671af67cebb8af617494b3513 https://repo.anaconda.com/pkgs/main/linux-64/glib-2.78.4-h6a678d5_0.conda#045ff487547f7b2b7ff01648681b8ebe @@ -65,27 +66,26 @@ https://repo.anaconda.com/pkgs/main/noarch/iniconfig-1.1.1-pyhd3eb1b0_0.tar.bz2# https://repo.anaconda.com/pkgs/main/linux-64/joblib-1.2.0-py39h06a4308_0.conda#ac1f5687d70aa1128cbecb26bc9e559d https://repo.anaconda.com/pkgs/main/linux-64/kiwisolver-1.4.4-py39h6a678d5_0.conda#3d57aedbfbd054ce57fb3c1e4448828c https://repo.anaconda.com/pkgs/main/linux-64/mysql-5.7.24-h721c034_2.conda#dfc19ca2466d275c4c1f73b62c57f37b -https://repo.anaconda.com/pkgs/main/linux-64/numpy-base-1.21.6-py39h375b286_0.conda#4ceaa5d6e6307fe06961d555f78b266f +https://repo.anaconda.com/pkgs/main/linux-64/numpy-base-1.21.6-py39h375b286_1.conda#0061d9193658774ab79fc85d143a94fc https://repo.anaconda.com/pkgs/main/linux-64/packaging-23.2-py39h06a4308_0.conda#b3f88f45f31bde016e49be3e941e5272 -https://repo.anaconda.com/pkgs/main/linux-64/pillow-10.2.0-py39h5eee18b_0.conda#fca2a1c44d16ec4b8ba71759b4ba9ba4 +https://repo.anaconda.com/pkgs/main/linux-64/pillow-10.3.0-py39h5eee18b_0.conda#b346d6c71267c1553b6c18d3db5fdf6d https://repo.anaconda.com/pkgs/main/linux-64/pluggy-1.0.0-py39h06a4308_1.conda#fb4fed11ed43cf727dbd51883cc1d9fa https://repo.anaconda.com/pkgs/main/linux-64/ply-3.11-py39h06a4308_0.conda#6c89bf6d2fdf6d24126e34cb83fd10f1 https://repo.anaconda.com/pkgs/main/linux-64/pyparsing-3.0.9-py39h06a4308_0.conda#3a0537468e59760404f63b4f04369828 https://repo.anaconda.com/pkgs/main/linux-64/pyqt5-sip-12.13.0-py39h5eee18b_0.conda#256840c3841b52346ea5743be8490ede -https://repo.anaconda.com/pkgs/main/linux-64/setuptools-68.2.2-py39h06a4308_0.conda#5b42cae5548732ae5c167bb1066085de +https://repo.anaconda.com/pkgs/main/linux-64/setuptools-69.5.1-py39h06a4308_0.conda#3eb144d481b39c0fbbced789dd9b76b3 https://repo.anaconda.com/pkgs/main/noarch/six-1.16.0-pyhd3eb1b0_1.conda#34586824d411d36af2fa40e799c172d0 -https://repo.anaconda.com/pkgs/main/noarch/threadpoolctl-2.2.0-pyh0d69192_0.conda#bbfdbae4934150b902f97daaf287efe2 https://repo.anaconda.com/pkgs/main/noarch/toml-0.10.2-pyhd3eb1b0_0.conda#cda05f5f6d8509529d1a2743288d197a https://repo.anaconda.com/pkgs/main/linux-64/tomli-2.0.1-py39h06a4308_0.conda#b06dffe7ddca2645ed72f5116f0a087d https://repo.anaconda.com/pkgs/main/linux-64/tornado-6.3.3-py39h5eee18b_0.conda#9c4bd985bb8adcd12f47e790e95a9333 -https://repo.anaconda.com/pkgs/main/linux-64/wheel-0.41.2-py39h06a4308_0.conda#ec1b8213c3585defaa6042ed2f95861d +https://repo.anaconda.com/pkgs/main/linux-64/wheel-0.43.0-py39h06a4308_0.conda#40bb60408c7433d767fd8c65b35bc4a0 https://repo.anaconda.com/pkgs/main/linux-64/coverage-7.2.2-py39h5eee18b_0.conda#e9da151b7e1f56be2cb569c65949a1d2 https://repo.anaconda.com/pkgs/main/linux-64/dbus-1.13.18-hb2f20db_0.conda#6a6a6f1391f807847404344489ef6cf4 https://repo.anaconda.com/pkgs/main/linux-64/gstreamer-1.14.1-h5eee18b_1.conda#f2f26e6f869b5d87f41bd059fae47c3e -https://repo.anaconda.com/pkgs/main/linux-64/numpy-1.21.6-py39hac523dd_0.conda#a03c1fe16cf2558bca3838062c334d7d -https://repo.anaconda.com/pkgs/main/linux-64/pip-23.3.1-py39h06a4308_0.conda#685007e3dae59d211620f19926577bd6 +https://repo.anaconda.com/pkgs/main/linux-64/numpy-1.21.6-py39hac523dd_1.conda#f379f92039f666828a193fadd18c9819 +https://repo.anaconda.com/pkgs/main/linux-64/pip-24.0-py39h06a4308_0.conda#7f8ce3af15cfecd12e4dda8c5cef5fb7 https://repo.anaconda.com/pkgs/main/linux-64/pytest-7.4.0-py39h06a4308_0.conda#99d92a7a39f7e615de84f8cc5606c49a -https://repo.anaconda.com/pkgs/main/noarch/python-dateutil-2.8.2-pyhd3eb1b0_0.conda#211ee00320b08a1ac9fea6677649f6c9 +https://repo.anaconda.com/pkgs/main/linux-64/python-dateutil-2.9.0post0-py39h06a4308_2.conda#d6566c6d6a0140e45f22787ae58ed6e8 https://repo.anaconda.com/pkgs/main/linux-64/sip-6.7.12-py39h6a678d5_0.conda#6988a3e12fcacfedcac523c1e4c3167c https://repo.anaconda.com/pkgs/main/linux-64/gst-plugins-base-1.14.1-h6a678d5_1.conda#afd9cbe949d670d24cc0a007aaec1fe1 https://repo.anaconda.com/pkgs/main/linux-64/matplotlib-base-3.3.4-py39h62a2d02_0.conda#dbab28222c740af8e21a3e5e2882c178 @@ -96,4 +96,4 @@ https://repo.anaconda.com/pkgs/main/linux-64/pyamg-4.2.3-py39h79cecc1_0.conda#af https://repo.anaconda.com/pkgs/main/linux-64/qt-main-5.15.2-h53bd1ea_10.conda#bd0c79e82df6323f638bdcb871891b61 https://repo.anaconda.com/pkgs/main/linux-64/pyqt-5.15.10-py39h6a678d5_0.conda#52da5ff9b1144b078d2f41bab0b213f2 https://repo.anaconda.com/pkgs/main/linux-64/matplotlib-3.3.4-py39h06a4308_0.conda#384fc5e01ebfcf30e7161119d3029b5a -# pip cython @ https://files.pythonhosted.org/packages/a7/f5/3dde4d96076888ceaa981827b098274c2b45ddd4b20d75a8cfaa92b91eec/Cython-3.0.10-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl#sha256=651a15a8534ebfb9b58cb0b87c269c70984b6f9c88bfe65e4f635f0e3f07dfcd +# pip threadpoolctl @ https://files.pythonhosted.org/packages/61/cf/6e354304bcb9c6413c4e02a747b600061c21d38ba51e7e544ac7bc66aecc/threadpoolctl-3.1.0-py3-none-any.whl#sha256=8b99adda265feb6773280df41eece7b2e6561b772d21ffd52e372f999024907b diff --git a/build_tools/azure/pymin_conda_forge_mkl_environment.yml b/build_tools/azure/pymin_conda_forge_mkl_environment.yml index fbad1d5bd42a8..a219e4b3daa8f 100644 --- a/build_tools/azure/pymin_conda_forge_mkl_environment.yml +++ b/build_tools/azure/pymin_conda_forge_mkl_environment.yml @@ -12,7 +12,7 @@ dependencies: - joblib - threadpoolctl - matplotlib - - pytest<8 + - pytest - pytest-xdist - pillow - pip diff --git a/build_tools/azure/pymin_conda_forge_mkl_win-64_conda.lock b/build_tools/azure/pymin_conda_forge_mkl_win-64_conda.lock index c6983ba7a9f51..f4c2f51b1ea88 100644 --- a/build_tools/azure/pymin_conda_forge_mkl_win-64_conda.lock +++ b/build_tools/azure/pymin_conda_forge_mkl_win-64_conda.lock @@ -1,22 +1,20 @@ # Generated by conda-lock. # platform: win-64 -# input_hash: 4a2ac6360285edd6c1e8182dd51ef698c0041fa9843e4ad9d9bc9dec6a7c8d1d +# input_hash: ea607aaeb7b1d1f8a1f821a9f505b3601083a218ec4763e2d72d3d3d800e718c @EXPLICIT https://conda.anaconda.org/conda-forge/win-64/ca-certificates-2024.2.2-h56e8100_0.conda#63da060240ab8087b60d1357051ea7d6 -https://conda.anaconda.org/conda-forge/win-64/intel-openmp-2024.1.0-h57928b3_965.conda#c66eb2fd33b999ccc258aef85689758e -https://conda.anaconda.org/conda-forge/win-64/libasprintf-0.22.5-h5728263_2.conda#75a6982b9ff0a8db0f53303527b07af8 +https://conda.anaconda.org/conda-forge/win-64/intel-openmp-2024.1.0-h57928b3_966.conda#35d7ea07ad6c878bd7240d2d6c1b8657 https://conda.anaconda.org/conda-forge/win-64/mkl-include-2024.1.0-h66d3029_692.conda#60233966dc7c0261c9a443120b43c477 https://conda.anaconda.org/conda-forge/win-64/msys2-conda-epoch-20160418-1.tar.bz2#b0309b72560df66f71a9d5e34a5efdfa https://conda.anaconda.org/conda-forge/win-64/python_abi-3.9-4_cp39.conda#948b0d93d4ab1372d8fd45e1560afd47 https://conda.anaconda.org/conda-forge/noarch/tzdata-2024a-h0c530f3_0.conda#161081fc7cec0bfda0d86d7cb595f8d8 https://conda.anaconda.org/conda-forge/win-64/ucrt-10.0.22621.0-h57928b3_0.tar.bz2#72608f6cd3e5898229c3ea16deb1ac43 -https://conda.anaconda.org/conda-forge/win-64/libasprintf-devel-0.22.5-h5728263_2.conda#8377da2cc31200d7181d2e48d60e4c7b https://conda.anaconda.org/conda-forge/win-64/m2w64-gmp-6.1.0-2.tar.bz2#53a1c73e1e3d185516d7e3af177596d9 https://conda.anaconda.org/conda-forge/win-64/m2w64-libwinpthread-git-5.0.0.4634.697f757-2.tar.bz2#774130a326dee16f1ceb05cc687ee4f0 -https://conda.anaconda.org/conda-forge/win-64/vc14_runtime-14.38.33130-h82b7239_18.conda#8be79fdd2725ddf7bbf8a27a4c1f79ba +https://conda.anaconda.org/conda-forge/win-64/vc14_runtime-14.38.33135-h835141b_20.conda#e971b35a5765862fabc4ba6e5ddf9470 https://conda.anaconda.org/conda-forge/win-64/m2w64-gcc-libs-core-5.3.0-7.tar.bz2#4289d80fb4d272f1f3b56cfe87ac90bd -https://conda.anaconda.org/conda-forge/win-64/vc-14.3-hcf57466_18.conda#20e1e652a4c740fa719002a8449994a2 -https://conda.anaconda.org/conda-forge/win-64/vs2015_runtime-14.38.33130-hcb4865c_18.conda#10d42885e3ed84e575b454db30f1aa93 +https://conda.anaconda.org/conda-forge/win-64/vc-14.3-ha32ba9b_20.conda#2abfb5cb1b9d41a50f765d60f0be563d +https://conda.anaconda.org/conda-forge/win-64/vs2015_runtime-14.38.33135-h22015db_20.conda#bb4f5ab332e46e1b022d8842e72905b1 https://conda.anaconda.org/conda-forge/win-64/bzip2-1.0.8-hcfcfb64_5.conda#26eb8ca6ea332b675e11704cce84a3be https://conda.anaconda.org/conda-forge/win-64/icu-73.2-h63175ca_0.conda#0f47d9e3192d9e09ae300da0d28e0f56 https://conda.anaconda.org/conda-forge/win-64/lerc-4.0.0-h63175ca_0.tar.bz2#1900cb3cab5055833cfddb0ba233b074 @@ -26,12 +24,12 @@ https://conda.anaconda.org/conda-forge/win-64/libffi-3.4.2-h8ffe710_5.tar.bz2#2c https://conda.anaconda.org/conda-forge/win-64/libiconv-1.17-hcfcfb64_2.conda#e1eb10b1cca179f2baa3601e4efc8712 https://conda.anaconda.org/conda-forge/win-64/libjpeg-turbo-3.0.0-hcfcfb64_1.conda#3f1b948619c45b1ca714d60c7389092c https://conda.anaconda.org/conda-forge/win-64/libogg-1.3.4-h8ffe710_1.tar.bz2#04286d905a0dcb7f7d4a12bdfe02516d -https://conda.anaconda.org/conda-forge/win-64/libsqlite-3.45.2-hcfcfb64_0.conda#f95359f8dc5abf7da7776ece9ef10bc5 -https://conda.anaconda.org/conda-forge/win-64/libwebp-base-1.3.2-hcfcfb64_1.conda#fdf80cb33c32d4d002bb89c37cfff5b7 +https://conda.anaconda.org/conda-forge/win-64/libsqlite-3.45.3-hcfcfb64_0.conda#73f5dc8e2d55d9a1e14b11f49c3b4a28 +https://conda.anaconda.org/conda-forge/win-64/libwebp-base-1.4.0-hcfcfb64_0.conda#abd61d0ab127ec5cd68f62c2969e6f34 https://conda.anaconda.org/conda-forge/win-64/libzlib-1.2.13-hcfcfb64_5.conda#5fdb9c6a113b6b6cb5e517fd972d5f41 https://conda.anaconda.org/conda-forge/win-64/m2w64-gcc-libgfortran-5.3.0-6.tar.bz2#066552ac6b907ec6d72c0ddab29050dc -https://conda.anaconda.org/conda-forge/win-64/ninja-1.11.1-h91493d7_0.conda#44a99ef26178ea98626ff8e027702795 -https://conda.anaconda.org/conda-forge/win-64/openssl-3.2.1-hcfcfb64_1.conda#958e0418e93e50c575bff70fbcaa12d8 +https://conda.anaconda.org/conda-forge/win-64/ninja-1.12.1-hc790b64_0.conda#a557dde55343e03c68cd7e29e7f87279 +https://conda.anaconda.org/conda-forge/win-64/openssl-3.3.0-h2466b09_3.conda#d7fec5d3bb8fc0c8e266bf1ad350cec5 https://conda.anaconda.org/conda-forge/win-64/pthreads-win32-2.9.1-hfa6e2cd_3.tar.bz2#e2da8758d7d51ff6aa78a14dfb9dbed4 https://conda.anaconda.org/conda-forge/win-64/tk-8.6.13-h5226925_1.conda#fc048363eb8f03cd1737600a5d08aafe https://conda.anaconda.org/conda-forge/win-64/xz-5.2.6-h8d14728_0.tar.bz2#515d77642eaa3639413c6b1bc3f94219 @@ -41,11 +39,11 @@ https://conda.anaconda.org/conda-forge/win-64/libbrotlienc-1.1.0-hcfcfb64_1.cond https://conda.anaconda.org/conda-forge/win-64/libintl-0.22.5-h5728263_2.conda#aa622c938af057adc119f8b8eecada01 https://conda.anaconda.org/conda-forge/win-64/libpng-1.6.43-h19919ed_0.conda#77e398acc32617a0384553aea29e866b https://conda.anaconda.org/conda-forge/win-64/libvorbis-1.3.7-h0e60522_0.tar.bz2#e1a22282de0169c93e4ffe6ce6acc212 -https://conda.anaconda.org/conda-forge/win-64/libxml2-2.12.6-hc3477c8_1.conda#eb9f59dd51f50f5aa369813fa63ba569 +https://conda.anaconda.org/conda-forge/win-64/libxml2-2.12.7-h283a6d9_0.conda#1451be68a5549561979125c1827b79ed https://conda.anaconda.org/conda-forge/win-64/m2w64-gcc-libs-5.3.0-7.tar.bz2#fe759119b8b3bfa720b8762c6fdc35de https://conda.anaconda.org/conda-forge/win-64/pcre2-10.43-h17e33f8_0.conda#d0485b8aa2cedb141a7bd27b4efa4c9c https://conda.anaconda.org/conda-forge/win-64/python-3.9.19-h4de0772_0_cpython.conda#b6999bc275e0e6beae7b1c8ea0be1e85 -https://conda.anaconda.org/conda-forge/win-64/zstd-1.5.5-h12be248_0.conda#792bb5da68bf0a6cac6a6072ecb8dbeb +https://conda.anaconda.org/conda-forge/win-64/zstd-1.5.6-h0ea2cb4_0.conda#9a17230f95733c04dc40a2b1e5491d74 https://conda.anaconda.org/conda-forge/win-64/brotli-bin-1.1.0-hcfcfb64_1.conda#0105229d7c5fabaa840043a86c10ec64 https://conda.anaconda.org/conda-forge/noarch/certifi-2024.2.2-pyhd8ed1ab_0.conda#0876280e409658fc6f9e75d035960333 https://conda.anaconda.org/conda-forge/noarch/colorama-0.4.6-pyhd8ed1ab_0.tar.bz2#3faab06a954c2a04039983f2c4a50d99 @@ -54,24 +52,22 @@ https://conda.anaconda.org/conda-forge/win-64/cython-3.0.10-py39h99910a6_0.conda https://conda.anaconda.org/conda-forge/noarch/exceptiongroup-1.2.0-pyhd8ed1ab_2.conda#8d652ea2ee8eaee02ed8dc820bc794aa https://conda.anaconda.org/conda-forge/noarch/execnet-2.1.1-pyhd8ed1ab_0.conda#15dda3cdbf330abfe9f555d22f66db46 https://conda.anaconda.org/conda-forge/win-64/freetype-2.12.1-hdaf720e_2.conda#3761b23693f768dc75a8fd0a73ca053f -https://conda.anaconda.org/conda-forge/win-64/gettext-tools-0.22.5-h7d00a51_2.conda#ef1c3bb48c013099c4872640a5f2096c https://conda.anaconda.org/conda-forge/noarch/iniconfig-2.0.0-pyhd8ed1ab_0.conda#f800d2da156d08e289b14e87e43c1ae5 https://conda.anaconda.org/conda-forge/win-64/kiwisolver-1.4.5-py39h1f6ef14_1.conda#4fc5bd0a7b535252028c647cc27d6c87 -https://conda.anaconda.org/conda-forge/win-64/libclang13-18.1.3-default_hf64faad_0.conda#9217c37b478ec601af909aafc954a6fc -https://conda.anaconda.org/conda-forge/win-64/libgettextpo-0.22.5-h5728263_2.conda#f4c826b19bf1ccee2a63a2c685039728 -https://conda.anaconda.org/conda-forge/win-64/libglib-2.80.0-h39d0aa6_4.conda#9baf04fc7002450a932cf97cb9625ebb -https://conda.anaconda.org/conda-forge/win-64/libhwloc-2.10.0-default_h2fffb23_1000.conda#ee944f0d41d9e2048f9d7492c1623ca3 +https://conda.anaconda.org/conda-forge/win-64/libclang13-18.1.6-default_hf64faad_0.conda#cb8ef624b31ede2c69f0e33135d00110 +https://conda.anaconda.org/conda-forge/win-64/libglib-2.80.2-h0df6a38_0.conda#ef9ae80bb2a15aee7a30180c057678ea +https://conda.anaconda.org/conda-forge/win-64/libhwloc-2.10.0-default_h8125262_1001.conda#e761885eb4c181074d172220d46319a0 https://conda.anaconda.org/conda-forge/win-64/libintl-devel-0.22.5-h5728263_2.conda#a2ad82fae23975e4ccbfab2847d31d48 https://conda.anaconda.org/conda-forge/win-64/libtiff-4.6.0-hddb2be6_3.conda#6d1828c9039929e2f185c5fa9d133018 https://conda.anaconda.org/conda-forge/noarch/munkres-1.1.4-pyh9f0ad1d_0.tar.bz2#2ba8498c1018c1e9c61eb99b973dfe19 https://conda.anaconda.org/conda-forge/noarch/packaging-24.0-pyhd8ed1ab_0.conda#248f521b64ce055e7feae3105e7abeb8 -https://conda.anaconda.org/conda-forge/noarch/pluggy-1.4.0-pyhd8ed1ab_0.conda#139e9feb65187e916162917bb2484976 +https://conda.anaconda.org/conda-forge/noarch/pluggy-1.5.0-pyhd8ed1ab_0.conda#d3483c8fc2dc2cc3f5cf43e26d60cabf https://conda.anaconda.org/conda-forge/noarch/ply-3.11-pyhd8ed1ab_2.conda#18c6deb6f9602e32446398203c8f0e91 https://conda.anaconda.org/conda-forge/win-64/pthread-stubs-0.4-hcd874cb_1001.tar.bz2#a1f820480193ea83582b13249a7e7bd9 https://conda.anaconda.org/conda-forge/noarch/pyparsing-3.1.2-pyhd8ed1ab_0.conda#b9a4dacf97241704529131a0dfc0494f -https://conda.anaconda.org/conda-forge/noarch/setuptools-69.5.1-pyhd8ed1ab_0.conda#7462280d81f639363e6e63c81276bd9e +https://conda.anaconda.org/conda-forge/noarch/setuptools-70.0.0-pyhd8ed1ab_0.conda#c8ddb4f34a208df4dd42509a0f6a1c89 https://conda.anaconda.org/conda-forge/noarch/six-1.16.0-pyh6c4a22f_0.tar.bz2#e5f25f8dbc060e9a8d912e432202afc2 -https://conda.anaconda.org/conda-forge/noarch/threadpoolctl-3.4.0-pyhc1e730c_0.conda#b296278eef667c673bf51de6535bad88 +https://conda.anaconda.org/conda-forge/noarch/threadpoolctl-3.5.0-pyhc1e730c_0.conda#df68d78237980a159bd7149f33c0e8fd https://conda.anaconda.org/conda-forge/noarch/toml-0.10.2-pyhd8ed1ab_0.tar.bz2#f832c45a477c78bebd107098db465095 https://conda.anaconda.org/conda-forge/noarch/tomli-2.0.1-pyhd8ed1ab_0.tar.bz2#5844808ffab9ebdb694585b50ba02a96 https://conda.anaconda.org/conda-forge/win-64/tornado-6.4-py39ha55989b_0.conda#d8f52e8e1d02f9a5901f9224e2ddf98f @@ -81,35 +77,33 @@ 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+https://conda.anaconda.org/conda-forge/noarch/meson-python-0.16.0-pyh0c530f3_0.conda#e16f0dbf502da873be9f9adb0dc52547 https://conda.anaconda.org/conda-forge/win-64/mkl-2024.1.0-h66d3029_692.conda#b43ec7ed045323edeff31e348eea8652 https://conda.anaconda.org/conda-forge/win-64/pillow-10.3.0-py39h9ee4981_0.conda#6d69d57c41867acc162ef0205a8efaef https://conda.anaconda.org/conda-forge/win-64/pyqt5-sip-12.12.2-py39h99910a6_5.conda#dffbcea794c524c471772a5f697c2aea https://conda.anaconda.org/conda-forge/noarch/pytest-cov-5.0.0-pyhd8ed1ab_0.conda#c54c0107057d67ddf077751339ec2c63 https://conda.anaconda.org/conda-forge/noarch/pytest-xdist-3.5.0-pyhd8ed1ab_0.conda#d5f595da2daead898ca958ac62f0307b -https://conda.anaconda.org/conda-forge/win-64/gstreamer-1.24.1-hb4038d2_1.conda#8a6dfe53ad02a3b151e6383a950043ee +https://conda.anaconda.org/conda-forge/win-64/gstreamer-1.24.3-h5006eae_0.conda#8c8959a520ef4911271fbf2cb2dfc3fe https://conda.anaconda.org/conda-forge/win-64/libblas-3.9.0-22_win64_mkl.conda#65c56ecdeceffd6c32d3d54db7e02c6e https://conda.anaconda.org/conda-forge/win-64/mkl-devel-2024.1.0-h57928b3_692.conda#9b3d1d4916a56fd32460f6fe784dcb51 -https://conda.anaconda.org/conda-forge/win-64/gst-plugins-base-1.24.1-h001b923_1.conda#7900eb39e6203249accb52fb705a2fb0 +https://conda.anaconda.org/conda-forge/win-64/gst-plugins-base-1.24.3-hba88be7_0.conda#1fa879c7b4868c58830762b6fac0075d https://conda.anaconda.org/conda-forge/win-64/libcblas-3.9.0-22_win64_mkl.conda#336c93ab102846c6131cf68e722a68f1 https://conda.anaconda.org/conda-forge/win-64/liblapack-3.9.0-22_win64_mkl.conda#c752cc2af9f3d8d7b2fdebb915a33ef7 https://conda.anaconda.org/conda-forge/win-64/liblapacke-3.9.0-22_win64_mkl.conda#db33ffa4bae1d2f6d5602afaa048bf6b @@ -118,7 +112,7 @@ https://conda.anaconda.org/conda-forge/win-64/qt-main-5.15.8-hcef0176_21.conda#7 https://conda.anaconda.org/conda-forge/win-64/blas-devel-3.9.0-22_win64_mkl.conda#adeb834f3b7b06f3d77cd90b7c9d08f0 https://conda.anaconda.org/conda-forge/win-64/contourpy-1.2.1-py39h1f6ef14_0.conda#03e25c6bae87f4f9595337255b44b0fb https://conda.anaconda.org/conda-forge/win-64/pyqt-5.15.9-py39hb77abff_5.conda#5ed899124a51958336371ff01482b8fd -https://conda.anaconda.org/conda-forge/win-64/scipy-1.13.0-py39hddb5d58_0.conda#cfe749056fb9ed9dbc096b5751becf34 +https://conda.anaconda.org/conda-forge/win-64/scipy-1.13.1-py39h1a10956_0.conda#9f8e571406af04d2f5fdcbecec704505 https://conda.anaconda.org/conda-forge/win-64/blas-2.122-mkl.conda#aee642435696de144ddf91dc02101cf8 -https://conda.anaconda.org/conda-forge/win-64/matplotlib-base-3.8.4-py39hf19769e_0.conda#7836c3dc5814f6d55a7392657c576e88 -https://conda.anaconda.org/conda-forge/win-64/matplotlib-3.8.4-py39hcbf5309_0.conda#cc66c372d5eb745665da06ce56b7d72b +https://conda.anaconda.org/conda-forge/win-64/matplotlib-base-3.8.4-py39he1095e7_2.conda#5c813b5da86f186d8026b6de6429c212 +https://conda.anaconda.org/conda-forge/win-64/matplotlib-3.8.4-py39hcbf5309_2.conda#1ecee90b529cb69ec4e95add23323110 diff --git a/build_tools/azure/pymin_conda_forge_openblas_ubuntu_2204_environment.yml b/build_tools/azure/pymin_conda_forge_openblas_ubuntu_2204_environment.yml index 855909a2c262a..38737e7c9c0b0 100644 --- a/build_tools/azure/pymin_conda_forge_openblas_ubuntu_2204_environment.yml +++ b/build_tools/azure/pymin_conda_forge_openblas_ubuntu_2204_environment.yml @@ -14,7 +14,7 @@ dependencies: - matplotlib - pandas - pyamg - - pytest<8 + - pytest - pytest-xdist - pillow - pip diff --git a/build_tools/azure/pymin_conda_forge_openblas_ubuntu_2204_linux-64_conda.lock b/build_tools/azure/pymin_conda_forge_openblas_ubuntu_2204_linux-64_conda.lock index 7f06496a7e247..66cd5eced566b 100644 --- a/build_tools/azure/pymin_conda_forge_openblas_ubuntu_2204_linux-64_conda.lock +++ b/build_tools/azure/pymin_conda_forge_openblas_ubuntu_2204_linux-64_conda.lock @@ -1,21 +1,21 @@ # Generated by conda-lock. # platform: linux-64 -# input_hash: a64ed7d3cc839a12cb1faa238a89d4aec55abc43d335791f0e8422f5722ff662 +# input_hash: 3974f9847d888a2fd37ba5fcfb76cb09bba4c9b84b6200932500fc94e3b0c4ae @EXPLICIT https://conda.anaconda.org/conda-forge/linux-64/_libgcc_mutex-0.1-conda_forge.tar.bz2#d7c89558ba9fa0495403155b64376d81 https://conda.anaconda.org/conda-forge/linux-64/ca-certificates-2024.2.2-hbcca054_0.conda#2f4327a1cbe7f022401b236e915a5fef https://conda.anaconda.org/conda-forge/noarch/font-ttf-dejavu-sans-mono-2.37-hab24e00_0.tar.bz2#0c96522c6bdaed4b1566d11387caaf45 https://conda.anaconda.org/conda-forge/noarch/font-ttf-inconsolata-3.000-h77eed37_0.tar.bz2#34893075a5c9e55cdafac56607368fc6 https://conda.anaconda.org/conda-forge/noarch/font-ttf-source-code-pro-2.038-h77eed37_0.tar.bz2#4d59c254e01d9cde7957100457e2d5fb -https://conda.anaconda.org/conda-forge/noarch/font-ttf-ubuntu-0.83-h77eed37_1.conda#6185f640c43843e5ad6fd1c5372c3f80 -https://conda.anaconda.org/conda-forge/linux-64/ld_impl_linux-64-2.40-h41732ed_0.conda#7aca3059a1729aa76c597603f10b0dd3 -https://conda.anaconda.org/conda-forge/linux-64/libstdcxx-ng-13.2.0-h7e041cc_5.conda#f6f6600d18a4047b54f803cf708b868a +https://conda.anaconda.org/conda-forge/noarch/font-ttf-ubuntu-0.83-h77eed37_2.conda#cbbe59391138ea5ad3658c76912e147f +https://conda.anaconda.org/conda-forge/linux-64/ld_impl_linux-64-2.40-hf3520f5_1.conda#33b7851c39c25da14f6a233a8ccbeeca +https://conda.anaconda.org/conda-forge/linux-64/libstdcxx-ng-13.2.0-hc0a3c3a_7.conda#53ebd4c833fa01cb2c6353e99f905406 https://conda.anaconda.org/conda-forge/linux-64/python_abi-3.9-4_cp39.conda#bfe4b3259a8ac6cdf0037752904da6a7 https://conda.anaconda.org/conda-forge/noarch/tzdata-2024a-h0c530f3_0.conda#161081fc7cec0bfda0d86d7cb595f8d8 https://conda.anaconda.org/conda-forge/noarch/fonts-conda-forge-1-0.tar.bz2#f766549260d6815b0c52253f1fb1bb29 https://conda.anaconda.org/conda-forge/noarch/fonts-conda-ecosystem-1-0.tar.bz2#fee5683a3f04bd15cbd8318b096a27ab https://conda.anaconda.org/conda-forge/linux-64/_openmp_mutex-4.5-2_kmp_llvm.tar.bz2#562b26ba2e19059551a811e72ab7f793 -https://conda.anaconda.org/conda-forge/linux-64/libgcc-ng-13.2.0-h807b86a_5.conda#d4ff227c46917d3b4565302a2bbb276b +https://conda.anaconda.org/conda-forge/linux-64/libgcc-ng-13.2.0-h77fa898_7.conda#72ec1b1b04c4d15d4204ece1ecea5978 https://conda.anaconda.org/conda-forge/linux-64/alsa-lib-1.2.11-hd590300_1.conda#0bb492cca54017ea314b809b1ee3a176 https://conda.anaconda.org/conda-forge/linux-64/attr-2.5.1-h166bdaf_1.tar.bz2#d9c69a24ad678ffce24c6543a0176b00 https://conda.anaconda.org/conda-forge/linux-64/bzip2-1.0.8-hd590300_5.conda#69b8b6202a07720f448be700e300ccf4 @@ -31,22 +31,22 @@ https://conda.anaconda.org/conda-forge/linux-64/libdeflate-1.20-hd590300_0.conda https://conda.anaconda.org/conda-forge/linux-64/libexpat-2.6.2-h59595ed_0.conda#e7ba12deb7020dd080c6c70e7b6f6a3d https://conda.anaconda.org/conda-forge/linux-64/libffi-3.4.2-h7f98852_5.tar.bz2#d645c6d2ac96843a2bfaccd2d62b3ac3 https://conda.anaconda.org/conda-forge/linux-64/libgettextpo-0.22.5-h59595ed_2.conda#172bcc51059416e7ce99e7b528cede83 -https://conda.anaconda.org/conda-forge/linux-64/libgfortran5-13.2.0-ha4646dd_5.conda#7a6bd7a12a4bd359e2afe6c0fa1acace +https://conda.anaconda.org/conda-forge/linux-64/libgfortran5-13.2.0-hca663fb_7.conda#c0bd771f09a326fdcd95a60b617795bf https://conda.anaconda.org/conda-forge/linux-64/libiconv-1.17-hd590300_2.conda#d66573916ffcf376178462f1b61c941e https://conda.anaconda.org/conda-forge/linux-64/libjpeg-turbo-3.0.0-hd590300_1.conda#ea25936bb4080d843790b586850f82b8 https://conda.anaconda.org/conda-forge/linux-64/libnsl-2.0.1-hd590300_0.conda#30fd6e37fe21f86f4bd26d6ee73eeec7 https://conda.anaconda.org/conda-forge/linux-64/libogg-1.3.4-h7f98852_1.tar.bz2#6e8cc2173440d77708196c5b93771680 https://conda.anaconda.org/conda-forge/linux-64/libopus-1.3.1-h7f98852_1.tar.bz2#15345e56d527b330e1cacbdf58676e8f https://conda.anaconda.org/conda-forge/linux-64/libuuid-2.38.1-h0b41bf4_0.conda#40b61aab5c7ba9ff276c41cfffe6b80b -https://conda.anaconda.org/conda-forge/linux-64/libwebp-base-1.3.2-hd590300_1.conda#049b7df8bae5e184d1de42cdf64855f8 +https://conda.anaconda.org/conda-forge/linux-64/libwebp-base-1.4.0-hd590300_0.conda#b26e8aa824079e1be0294e7152ca4559 https://conda.anaconda.org/conda-forge/linux-64/libxcrypt-4.4.36-hd590300_1.conda#5aa797f8787fe7a17d1b0821485b5adc https://conda.anaconda.org/conda-forge/linux-64/libzlib-1.2.13-hd590300_5.conda#f36c115f1ee199da648e0597ec2047ad https://conda.anaconda.org/conda-forge/linux-64/lz4-c-1.9.4-hcb278e6_0.conda#318b08df404f9c9be5712aaa5a6f0bb0 https://conda.anaconda.org/conda-forge/linux-64/mpg123-1.32.6-h59595ed_0.conda#9160cdeb523a1b20cf8d2a0bf821f45d -https://conda.anaconda.org/conda-forge/linux-64/ncurses-6.4.20240210-h59595ed_0.conda#97da8860a0da5413c7c98a3b3838a645 -https://conda.anaconda.org/conda-forge/linux-64/ninja-1.11.1-h924138e_0.conda#73a4953a2d9c115bdc10ff30a52f675f +https://conda.anaconda.org/conda-forge/linux-64/ncurses-6.5-h59595ed_0.conda#fcea371545eda051b6deafb24889fc69 +https://conda.anaconda.org/conda-forge/linux-64/ninja-1.12.1-h297d8ca_0.conda#3aa1c7e292afeff25a0091ddd7c69b72 https://conda.anaconda.org/conda-forge/linux-64/nspr-4.35-h27087fc_0.conda#da0ec11a6454ae19bff5b02ed881a2b1 -https://conda.anaconda.org/conda-forge/linux-64/openssl-3.2.1-hd590300_1.conda#9d731343cff6ee2e5a25c4a091bf8e2a +https://conda.anaconda.org/conda-forge/linux-64/openssl-3.3.0-h4ab18f5_3.conda#12ea6d0d4ed54530eaed18e4835c1f7c https://conda.anaconda.org/conda-forge/linux-64/pixman-0.43.2-h59595ed_0.conda#71004cbf7924e19c02746ccde9fd7123 https://conda.anaconda.org/conda-forge/linux-64/pthread-stubs-0.4-h36c2ea0_1001.tar.bz2#22dad4df6e8630e8dff2428f6f6a7036 https://conda.anaconda.org/conda-forge/linux-64/xorg-kbproto-1.0.7-h7f98852_1002.tar.bz2#4b230e8381279d76131116660f5a241a @@ -66,32 +66,32 @@ https://conda.anaconda.org/conda-forge/linux-64/libcap-2.69-h0f662aa_0.conda#25c https://conda.anaconda.org/conda-forge/linux-64/libedit-3.1.20191231-he28a2e2_2.tar.bz2#4d331e44109e3f0e19b4cb8f9b82f3e1 https://conda.anaconda.org/conda-forge/linux-64/libevent-2.1.12-hf998b51_1.conda#a1cfcc585f0c42bf8d5546bb1dfb668d 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https://conda.anaconda.org/conda-forge/linux-64/pyqt5-sip-12.12.2-py39h3d6467e_5.conda#93aff412f3e49fdb43361c0215cbd72d https://conda.anaconda.org/conda-forge/noarch/pytest-xdist-3.5.0-pyhd8ed1ab_0.conda#d5f595da2daead898ca958ac62f0307b -https://conda.anaconda.org/conda-forge/noarch/requests-2.31.0-pyhd8ed1ab_0.conda#a30144e4156cdbb236f99ebb49828f8b +https://conda.anaconda.org/conda-forge/noarch/requests-2.32.2-pyhd8ed1ab_0.conda#e1643b34b19df8c028a4f00bf5df58a6 https://conda.anaconda.org/conda-forge/linux-64/blas-devel-3.9.0-22_linux64_openblas.conda#63ddb593595c9cf5eb08d3de54d66df8 https://conda.anaconda.org/conda-forge/linux-64/contourpy-1.2.1-py39h7633fee_0.conda#bdc188e59857d6efab332714e0d01d93 -https://conda.anaconda.org/conda-forge/linux-64/gst-plugins-base-1.24.1-hfa15dee_1.conda#a6dd2bbc684913e2bef0a54ce56fcbfb -https://conda.anaconda.org/conda-forge/linux-64/pandas-2.2.2-py39hddac248_0.conda#259c4e76e6bda8888aefc098ae1ba749 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+https://conda.anaconda.org/conda-forge/linux-64/matplotlib-base-3.8.4-py39h10d1fc8_2.conda#c9fb6571b93b1dd490ea627af7344f36 +https://conda.anaconda.org/conda-forge/linux-64/pyamg-5.1.0-py39h85c637f_1.conda#b2b15112d019e27e62f9433e31607d08 https://conda.anaconda.org/conda-forge/linux-64/qt-main-5.15.8-hc9dc06e_21.conda#b325046180590c868ce0dbf267b82eb8 https://conda.anaconda.org/conda-forge/linux-64/pyqt-5.15.9-py39h52134e7_5.conda#e1f148e57d071b09187719df86f513c1 -https://conda.anaconda.org/conda-forge/linux-64/matplotlib-3.8.4-py39hf3d152e_0.conda#c66d2da2669fddc657b679bccab95775 +https://conda.anaconda.org/conda-forge/linux-64/matplotlib-3.8.4-py39hf3d152e_2.conda#bd956c7563b6a6b27521b83623c74e22 https://conda.anaconda.org/conda-forge/noarch/numpydoc-1.7.0-pyhd8ed1ab_0.conda#1ad3afced398492586ca1bef70328be4 https://conda.anaconda.org/conda-forge/noarch/sphinxcontrib-applehelp-1.0.8-pyhd8ed1ab_0.conda#611a35a27914fac3aa37611a6fe40bb5 https://conda.anaconda.org/conda-forge/noarch/sphinxcontrib-devhelp-1.0.6-pyhd8ed1ab_0.conda#d7e4954df0d3aea2eacc7835ad12671d https://conda.anaconda.org/conda-forge/noarch/sphinxcontrib-htmlhelp-2.0.5-pyhd8ed1ab_0.conda#7e1e7437273682ada2ed5e9e9714b140 https://conda.anaconda.org/conda-forge/noarch/sphinxcontrib-qthelp-1.0.7-pyhd8ed1ab_0.conda#26acae54b06f178681bfb551760f5dd1 -https://conda.anaconda.org/conda-forge/noarch/sphinx-7.2.6-pyhd8ed1ab_0.conda#bbfd1120d1824d2d073bc65935f0e4c0 +https://conda.anaconda.org/conda-forge/noarch/sphinx-7.3.7-pyhd8ed1ab_0.conda#7b1465205e28d75d2c0e1a868ee00a67 https://conda.anaconda.org/conda-forge/noarch/sphinxcontrib-serializinghtml-1.1.10-pyhd8ed1ab_0.conda#e507335cb4ca9cff4c3d0fa9cdab255e diff --git a/build_tools/azure/pypy3_environment.yml b/build_tools/azure/pypy3_environment.yml index 285f1b0d51d17..84784d5a90b20 100644 --- a/build_tools/azure/pypy3_environment.yml +++ b/build_tools/azure/pypy3_environment.yml @@ -14,7 +14,7 @@ dependencies: - threadpoolctl - matplotlib - pyamg - - pytest<8 + - pytest - pytest-xdist - pip - ninja diff --git a/build_tools/azure/pypy3_linux-64_conda.lock b/build_tools/azure/pypy3_linux-64_conda.lock index 23710cfe35cb8..a47c89e5a7aab 100644 --- a/build_tools/azure/pypy3_linux-64_conda.lock +++ b/build_tools/azure/pypy3_linux-64_conda.lock @@ -1,27 +1,27 @@ # Generated by conda-lock. # platform: linux-64 -# input_hash: c4b15c5bfeffe4d558e4ece0c996e6cc04c00369326c72d19780ffc0209bd591 +# input_hash: cb8a71fc5a5762d803c62e60f01aaf1788c4357c1233fd623cecb1225076b9b5 @EXPLICIT https://conda.anaconda.org/conda-forge/linux-64/_libgcc_mutex-0.1-conda_forge.tar.bz2#d7c89558ba9fa0495403155b64376d81 https://conda.anaconda.org/conda-forge/linux-64/ca-certificates-2024.2.2-hbcca054_0.conda#2f4327a1cbe7f022401b236e915a5fef -https://conda.anaconda.org/conda-forge/linux-64/libstdcxx-ng-13.2.0-h7e041cc_5.conda#f6f6600d18a4047b54f803cf708b868a +https://conda.anaconda.org/conda-forge/linux-64/libstdcxx-ng-13.2.0-hc0a3c3a_7.conda#53ebd4c833fa01cb2c6353e99f905406 https://conda.anaconda.org/conda-forge/linux-64/python_abi-3.9-4_pypy39_pp73.conda#c1b2f29111681a4036ed21eaa3f44620 https://conda.anaconda.org/conda-forge/noarch/tzdata-2024a-h0c530f3_0.conda#161081fc7cec0bfda0d86d7cb595f8d8 https://conda.anaconda.org/conda-forge/linux-64/_openmp_mutex-4.5-2_kmp_llvm.tar.bz2#562b26ba2e19059551a811e72ab7f793 -https://conda.anaconda.org/conda-forge/linux-64/libgcc-ng-13.2.0-h807b86a_5.conda#d4ff227c46917d3b4565302a2bbb276b +https://conda.anaconda.org/conda-forge/linux-64/libgcc-ng-13.2.0-h77fa898_7.conda#72ec1b1b04c4d15d4204ece1ecea5978 https://conda.anaconda.org/conda-forge/linux-64/bzip2-1.0.8-hd590300_5.conda#69b8b6202a07720f448be700e300ccf4 https://conda.anaconda.org/conda-forge/linux-64/lerc-4.0.0-h27087fc_0.tar.bz2#76bbff344f0134279f225174e9064c8f https://conda.anaconda.org/conda-forge/linux-64/libbrotlicommon-1.1.0-hd590300_1.conda#aec6c91c7371c26392a06708a73c70e5 https://conda.anaconda.org/conda-forge/linux-64/libdeflate-1.20-hd590300_0.conda#8e88f9389f1165d7c0936fe40d9a9a79 https://conda.anaconda.org/conda-forge/linux-64/libexpat-2.6.2-h59595ed_0.conda#e7ba12deb7020dd080c6c70e7b6f6a3d https://conda.anaconda.org/conda-forge/linux-64/libffi-3.4.2-h7f98852_5.tar.bz2#d645c6d2ac96843a2bfaccd2d62b3ac3 -https://conda.anaconda.org/conda-forge/linux-64/libgfortran5-13.2.0-ha4646dd_5.conda#7a6bd7a12a4bd359e2afe6c0fa1acace +https://conda.anaconda.org/conda-forge/linux-64/libgfortran5-13.2.0-hca663fb_7.conda#c0bd771f09a326fdcd95a60b617795bf https://conda.anaconda.org/conda-forge/linux-64/libjpeg-turbo-3.0.0-hd590300_1.conda#ea25936bb4080d843790b586850f82b8 -https://conda.anaconda.org/conda-forge/linux-64/libwebp-base-1.3.2-hd590300_1.conda#049b7df8bae5e184d1de42cdf64855f8 +https://conda.anaconda.org/conda-forge/linux-64/libwebp-base-1.4.0-hd590300_0.conda#b26e8aa824079e1be0294e7152ca4559 https://conda.anaconda.org/conda-forge/linux-64/libzlib-1.2.13-hd590300_5.conda#f36c115f1ee199da648e0597ec2047ad -https://conda.anaconda.org/conda-forge/linux-64/ncurses-6.4.20240210-h59595ed_0.conda#97da8860a0da5413c7c98a3b3838a645 -https://conda.anaconda.org/conda-forge/linux-64/ninja-1.11.1-h924138e_0.conda#73a4953a2d9c115bdc10ff30a52f675f -https://conda.anaconda.org/conda-forge/linux-64/openssl-3.2.1-hd590300_1.conda#9d731343cff6ee2e5a25c4a091bf8e2a +https://conda.anaconda.org/conda-forge/linux-64/ncurses-6.5-h59595ed_0.conda#fcea371545eda051b6deafb24889fc69 +https://conda.anaconda.org/conda-forge/linux-64/ninja-1.12.1-h297d8ca_0.conda#3aa1c7e292afeff25a0091ddd7c69b72 +https://conda.anaconda.org/conda-forge/linux-64/openssl-3.3.0-h4ab18f5_2.conda#b8934d399b56d73e323403e183d009c5 https://conda.anaconda.org/conda-forge/linux-64/pthread-stubs-0.4-h36c2ea0_1001.tar.bz2#22dad4df6e8630e8dff2428f6f6a7036 https://conda.anaconda.org/conda-forge/linux-64/xorg-kbproto-1.0.7-h7f98852_1002.tar.bz2#4b230e8381279d76131116660f5a241a https://conda.anaconda.org/conda-forge/linux-64/xorg-libxau-1.0.11-hd590300_0.conda#2c80dc38fface310c9bd81b17037fee5 @@ -32,22 +32,22 @@ https://conda.anaconda.org/conda-forge/linux-64/xz-5.2.6-h166bdaf_0.tar.bz2#2161 https://conda.anaconda.org/conda-forge/linux-64/expat-2.6.2-h59595ed_0.conda#53fb86322bdb89496d7579fe3f02fd61 https://conda.anaconda.org/conda-forge/linux-64/libbrotlidec-1.1.0-hd590300_1.conda#f07002e225d7a60a694d42a7bf5ff53f https://conda.anaconda.org/conda-forge/linux-64/libbrotlienc-1.1.0-hd590300_1.conda#5fc11c6020d421960607d821310fcd4d -https://conda.anaconda.org/conda-forge/linux-64/libgfortran-ng-13.2.0-h69a702a_5.conda#e73e9cfd1191783392131e6238bdb3e9 +https://conda.anaconda.org/conda-forge/linux-64/libgfortran-ng-13.2.0-h69a702a_7.conda#1b84f26d9f4f6026e179e7805d5a15cd https://conda.anaconda.org/conda-forge/linux-64/libpng-1.6.43-h2797004_0.conda#009981dd9cfcaa4dbfa25ffaed86bcae -https://conda.anaconda.org/conda-forge/linux-64/libsqlite-3.45.2-h2797004_0.conda#866983a220e27a80cb75e85cb30466a1 +https://conda.anaconda.org/conda-forge/linux-64/libsqlite-3.45.3-h2797004_0.conda#b3316cbe90249da4f8e84cd66e1cc55b https://conda.anaconda.org/conda-forge/linux-64/libxcb-1.15-h0b41bf4_0.conda#33277193f5b92bad9fdd230eb700929c https://conda.anaconda.org/conda-forge/linux-64/readline-8.2-h8228510_1.conda#47d31b792659ce70f470b5c82fdfb7a4 https://conda.anaconda.org/conda-forge/linux-64/tk-8.6.13-noxft_h4845f30_101.conda#d453b98d9c83e71da0741bb0ff4d76bc https://conda.anaconda.org/conda-forge/linux-64/zlib-1.2.13-hd590300_5.conda#68c34ec6149623be41a1933ab996a209 -https://conda.anaconda.org/conda-forge/linux-64/zstd-1.5.5-hfc55251_0.conda#04b88013080254850d6c01ed54810589 +https://conda.anaconda.org/conda-forge/linux-64/zstd-1.5.6-ha6fb4c9_0.conda#4d056880988120e29d75bfff282e0f45 https://conda.anaconda.org/conda-forge/linux-64/brotli-bin-1.1.0-hd590300_1.conda#39f910d205726805a958da408ca194ba https://conda.anaconda.org/conda-forge/linux-64/freetype-2.12.1-h267a509_2.conda#9ae35c3d96db2c94ce0cef86efdfa2cb https://conda.anaconda.org/conda-forge/linux-64/gdbm-1.18-h0a1914f_2.tar.bz2#b77bc399b07a19c00fe12fdc95ee0297 https://conda.anaconda.org/conda-forge/linux-64/libhiredis-1.0.2-h2cc385e_0.tar.bz2#b34907d3a81a3cd8095ee83d174c074a https://conda.anaconda.org/conda-forge/linux-64/libopenblas-0.3.27-pthreads_h413a1c8_0.conda#a356024784da6dfd4683dc5ecf45b155 https://conda.anaconda.org/conda-forge/linux-64/libtiff-4.6.0-h1dd3fc0_3.conda#66f03896ffbe1a110ffda05c7a856504 -https://conda.anaconda.org/conda-forge/linux-64/llvm-openmp-18.1.3-h4dfa4b3_0.conda#d39965123dffcad4d750989be65bcb7c -https://conda.anaconda.org/conda-forge/linux-64/sqlite-3.45.2-h2c6b66d_0.conda#1423efca06ed343c1da0fc429bae0779 +https://conda.anaconda.org/conda-forge/linux-64/llvm-openmp-18.1.5-ha31de31_0.conda#b923cdb6e567ada84f991ffcc5848afb +https://conda.anaconda.org/conda-forge/linux-64/sqlite-3.45.3-h2c6b66d_0.conda#be7d70f2db41b674733667bdd69bd000 https://conda.anaconda.org/conda-forge/linux-64/xorg-libx11-1.8.9-h8ee46fc_0.conda#077b6e8ad6a3ddb741fce2496dd01bec https://conda.anaconda.org/conda-forge/linux-64/brotli-1.1.0-hd590300_1.conda#f27a24d46e3ea7b70a1f98e50c62508f https://conda.anaconda.org/conda-forge/linux-64/ccache-4.9.1-h1fcd64f_0.conda#3620f564bcf28c3524951b6f64f5c5ac @@ -72,12 +72,12 @@ https://conda.anaconda.org/conda-forge/noarch/munkres-1.1.4-pyh9f0ad1d_0.tar.bz2 https://conda.anaconda.org/conda-forge/linux-64/numpy-1.26.4-py39h6dedee3_0.conda#557d64563e84ff21b14f586c7f662b7f https://conda.anaconda.org/conda-forge/noarch/packaging-24.0-pyhd8ed1ab_0.conda#248f521b64ce055e7feae3105e7abeb8 https://conda.anaconda.org/conda-forge/linux-64/pillow-10.3.0-py39h90a76f3_0.conda#799e6519cfffe2784db27b1db2ef33f3 -https://conda.anaconda.org/conda-forge/noarch/pluggy-1.4.0-pyhd8ed1ab_0.conda#139e9feb65187e916162917bb2484976 +https://conda.anaconda.org/conda-forge/noarch/pluggy-1.5.0-pyhd8ed1ab_0.conda#d3483c8fc2dc2cc3f5cf43e26d60cabf https://conda.anaconda.org/conda-forge/noarch/pyparsing-3.1.2-pyhd8ed1ab_0.conda#b9a4dacf97241704529131a0dfc0494f https://conda.anaconda.org/conda-forge/noarch/pypy-7.3.15-1_pypy39.conda#a418a6c16bd6f7ed56b92194214791a0 -https://conda.anaconda.org/conda-forge/noarch/setuptools-69.5.1-pyhd8ed1ab_0.conda#7462280d81f639363e6e63c81276bd9e +https://conda.anaconda.org/conda-forge/noarch/setuptools-70.0.0-pyhd8ed1ab_0.conda#c8ddb4f34a208df4dd42509a0f6a1c89 https://conda.anaconda.org/conda-forge/noarch/six-1.16.0-pyh6c4a22f_0.tar.bz2#e5f25f8dbc060e9a8d912e432202afc2 -https://conda.anaconda.org/conda-forge/noarch/threadpoolctl-3.4.0-pyhc1e730c_0.conda#b296278eef667c673bf51de6535bad88 +https://conda.anaconda.org/conda-forge/noarch/threadpoolctl-3.5.0-pyhc1e730c_0.conda#df68d78237980a159bd7149f33c0e8fd https://conda.anaconda.org/conda-forge/noarch/tomli-2.0.1-pyhd8ed1ab_0.tar.bz2#5844808ffab9ebdb694585b50ba02a96 https://conda.anaconda.org/conda-forge/linux-64/tornado-6.4-py39hf860d4a_0.conda#e7fded713fb466e1e0670afce1761b47 https://conda.anaconda.org/conda-forge/linux-64/unicodedata2-15.1.0-py39hf860d4a_0.conda#f699157518d28d00c87542b4ec1273be @@ -87,17 +87,17 @@ https://conda.anaconda.org/conda-forge/linux-64/blas-devel-3.9.0-22_linux64_open https://conda.anaconda.org/conda-forge/linux-64/contourpy-1.2.1-py39ha90811c_0.conda#07ed14c8326da42356514bcbc0b04802 https://conda.anaconda.org/conda-forge/linux-64/fonttools-4.51.0-py39hf860d4a_0.conda#63421b4dd7222fad555e34ec9af015a1 https://conda.anaconda.org/conda-forge/noarch/importlib_resources-6.4.0-pyhd8ed1ab_0.conda#c5d3907ad8bd7bf557521a1833cf7e6d -https://conda.anaconda.org/conda-forge/noarch/joblib-1.4.0-pyhd8ed1ab_0.conda#e0ed1bf13ce3a440e022157bf4764465 +https://conda.anaconda.org/conda-forge/noarch/joblib-1.4.2-pyhd8ed1ab_0.conda#25df261d4523d9f9783bcdb7208d872f https://conda.anaconda.org/conda-forge/noarch/meson-1.4.0-pyhd8ed1ab_0.conda#52a0660cfa40b45bf254ecc3374cb2e0 https://conda.anaconda.org/conda-forge/noarch/pip-24.0-pyhd8ed1ab_0.conda#f586ac1e56c8638b64f9c8122a7b8a67 -https://conda.anaconda.org/conda-forge/noarch/pyproject-metadata-0.7.1-pyhd8ed1ab_0.conda#dcb27826ffc94d5f04e241322239983b -https://conda.anaconda.org/conda-forge/noarch/pytest-7.4.4-pyhd8ed1ab_0.conda#a9d145de8c5f064b5fa68fb34725d9f4 +https://conda.anaconda.org/conda-forge/noarch/pyproject-metadata-0.8.0-pyhd8ed1ab_0.conda#573fe09d7bd0cd4bcc210d8369b5ca47 +https://conda.anaconda.org/conda-forge/noarch/pytest-8.2.1-pyhd8ed1ab_0.conda#e4418e8bdbaa8eea28e047531e6763c8 https://conda.anaconda.org/conda-forge/noarch/python-dateutil-2.9.0-pyhd8ed1ab_0.conda#2cf4264fffb9e6eff6031c5b6884d61c https://conda.anaconda.org/conda-forge/linux-64/scipy-1.12.0-py39h6dedee3_2.conda#6c5d74bac41838f4377dfd45085e1fec https://conda.anaconda.org/conda-forge/linux-64/blas-2.122-openblas.conda#5065468105542a8b23ea47bd8b6fa55f https://conda.anaconda.org/conda-forge/noarch/importlib-resources-6.4.0-pyhd8ed1ab_0.conda#dcbadab7a68738a028e195ab68ab2d2e -https://conda.anaconda.org/conda-forge/noarch/meson-python-0.15.0-pyh0c530f3_0.conda#3bc64565ca78ce3bb80248d09926d8f9 -https://conda.anaconda.org/conda-forge/linux-64/pyamg-5.1.0-py39h5fd064f_0.conda#04676d2a49da3cb608af77e04b796ce1 +https://conda.anaconda.org/conda-forge/noarch/meson-python-0.16.0-pyh0c530f3_0.conda#e16f0dbf502da873be9f9adb0dc52547 +https://conda.anaconda.org/conda-forge/linux-64/pyamg-5.1.0-py39h3c335be_1.conda#7278eb55a7e97a0ba2376a6c608e7c46 https://conda.anaconda.org/conda-forge/noarch/pytest-xdist-3.5.0-pyhd8ed1ab_0.conda#d5f595da2daead898ca958ac62f0307b -https://conda.anaconda.org/conda-forge/linux-64/matplotlib-base-3.8.4-py39h4e7d633_0.conda#58272019e595dde98d0844ae3ebf0cfe -https://conda.anaconda.org/conda-forge/linux-64/matplotlib-3.8.4-py39h4162558_0.conda#b0f7702a174422ff1db58190495fd766 +https://conda.anaconda.org/conda-forge/linux-64/matplotlib-base-3.8.4-py39h6fb8a73_2.conda#3212f51613e10b3ee319f3f2bf8ee5a8 +https://conda.anaconda.org/conda-forge/linux-64/matplotlib-3.8.4-py39h4162558_2.conda#05babd7bae196648bfc6b7e3d9ea7630 diff --git a/build_tools/azure/python_nogil_lock.txt b/build_tools/azure/python_nogil_lock.txt index 03cd4f2e0c346..7f67a48842dea 100644 --- a/build_tools/azure/python_nogil_lock.txt +++ b/build_tools/azure/python_nogil_lock.txt @@ -13,15 +13,15 @@ cycler==0.12.1 # via matplotlib cython==3.0.10 # via -r /scikit-learn/build_tools/azure/python_nogil_requirements.txt -exceptiongroup==1.2.0 +exceptiongroup==1.2.1 # via pytest -execnet==2.0.2 +execnet==2.1.1 # via pytest-xdist -fonttools==4.50.0 +fonttools==4.51.0 # via matplotlib iniconfig==2.0.0 # via pytest -joblib==1.3.2 +joblib==1.4.2 # via -r /scikit-learn/build_tools/azure/python_nogil_requirements.txt kiwisolver==1.4.4 # via matplotlib @@ -29,7 +29,7 @@ matplotlib==3.6.2 # via -r /scikit-learn/build_tools/azure/python_nogil_requirements.txt meson==1.4.0 # via meson-python -meson-python==0.15.0 +meson-python==0.16.0 # via -r /scikit-learn/build_tools/azure/python_nogil_requirements.txt ninja==1.11.1.1 # via -r /scikit-learn/build_tools/azure/python_nogil_requirements.txt @@ -42,21 +42,22 @@ numpy==1.24.0 packaging==24.0 # via # matplotlib + # meson-python # pyproject-metadata # pytest pillow==9.5.0 # via matplotlib -pluggy==1.4.0 +pluggy==1.5.0 # via pytest pyparsing==3.1.2 # via matplotlib -pyproject-metadata==0.7.1 +pyproject-metadata==0.8.0 # via meson-python pytest==7.4.4 # via # -r /scikit-learn/build_tools/azure/python_nogil_requirements.txt # pytest-xdist -pytest-xdist==3.5.0 +pytest-xdist==3.6.1 # via -r /scikit-learn/build_tools/azure/python_nogil_requirements.txt python-dateutil==2.9.0.post0 # via matplotlib @@ -64,7 +65,7 @@ scipy==1.9.3 # via -r /scikit-learn/build_tools/azure/python_nogil_requirements.txt six==1.16.0 # via python-dateutil -threadpoolctl==3.4.0 +threadpoolctl==3.5.0 # via -r /scikit-learn/build_tools/azure/python_nogil_requirements.txt tomli==2.0.1 # via diff --git a/build_tools/azure/ubuntu_atlas_lock.txt b/build_tools/azure/ubuntu_atlas_lock.txt index aa17f49e75936..e66f5ca8943fd 100644 --- a/build_tools/azure/ubuntu_atlas_lock.txt +++ b/build_tools/azure/ubuntu_atlas_lock.txt @@ -6,7 +6,7 @@ # cython==3.0.10 # via -r build_tools/azure/ubuntu_atlas_requirements.txt -exceptiongroup==1.2.0 +exceptiongroup==1.2.1 # via pytest execnet==2.1.1 # via pytest-xdist @@ -16,25 +16,26 @@ joblib==1.2.0 # via -r build_tools/azure/ubuntu_atlas_requirements.txt meson==1.4.0 # via meson-python -meson-python==0.15.0 +meson-python==0.16.0 # via -r build_tools/azure/ubuntu_atlas_requirements.txt ninja==1.11.1.1 # via -r build_tools/azure/ubuntu_atlas_requirements.txt packaging==24.0 # via + # meson-python # pyproject-metadata # pytest -pluggy==1.4.0 +pluggy==1.5.0 # via pytest -pyproject-metadata==0.7.1 +pyproject-metadata==0.8.0 # via meson-python -pytest==7.4.4 +pytest==8.2.1 # via # -r build_tools/azure/ubuntu_atlas_requirements.txt # pytest-xdist -pytest-xdist==3.5.0 +pytest-xdist==3.6.1 # via -r build_tools/azure/ubuntu_atlas_requirements.txt -threadpoolctl==2.0.0 +threadpoolctl==3.1.0 # via -r build_tools/azure/ubuntu_atlas_requirements.txt tomli==2.0.1 # via diff --git a/build_tools/azure/ubuntu_atlas_requirements.txt b/build_tools/azure/ubuntu_atlas_requirements.txt index aab362dda0bf2..dfb0cfebc54d1 100644 --- a/build_tools/azure/ubuntu_atlas_requirements.txt +++ b/build_tools/azure/ubuntu_atlas_requirements.txt @@ -3,8 +3,8 @@ # build_tools/update_environments_and_lock_files.py cython==3.0.10 # min joblib==1.2.0 # min -threadpoolctl==2.0.0 # min -pytest<8 +threadpoolctl==3.1.0 # min +pytest pytest-xdist ninja meson-python diff --git a/build_tools/circle/build_doc.sh b/build_tools/circle/build_doc.sh index 35fee3ae50b65..c569f4913d4d8 100755 --- a/build_tools/circle/build_doc.sh +++ b/build_tools/circle/build_doc.sh @@ -190,17 +190,13 @@ export OMP_NUM_THREADS=1 if [[ "$CIRCLE_BRANCH" =~ ^main$ && -z "$CI_PULL_REQUEST" ]] then # List available documentation versions if on main - python build_tools/circle/list_versions.py > doc/versions.rst + python build_tools/circle/list_versions.py --json doc/js/versions.json --rst doc/versions.rst fi # The pipefail is requested to propagate exit code set -o pipefail && cd doc && make $make_args 2>&1 | tee ~/log.txt -# Insert the version warning for deployment -find _build/html/stable -name "*.html" | xargs sed -i '/<\/body>/ i \ -\ ' - cd - set +o pipefail @@ -244,7 +240,7 @@ then ( echo '

    ' echo "$affected" | sed 's|.*|
  • & [dev, stable]
  • |' - echo '

General: Home | API Reference | Examples

' + echo '

General: Home | API Reference | Examples

' echo 'Sphinx Warnings in affected files
    ' echo "$warnings" | sed 's/\/home\/circleci\/project\//
  • /g' echo '
' diff --git a/build_tools/circle/doc_environment.yml b/build_tools/circle/doc_environment.yml index 4df22341635a3..ea930fadcb528 100644 --- a/build_tools/circle/doc_environment.yml +++ b/build_tools/circle/doc_environment.yml @@ -14,7 +14,7 @@ dependencies: - matplotlib - pandas - pyamg - - pytest<8 + - pytest - pytest-xdist - pillow - pip @@ -33,7 +33,11 @@ dependencies: - polars - pooch - sphinxext-opengraph + - sphinx-remove-toctrees + - sphinx-design + - pydata-sphinx-theme - pip - pip: - jupyterlite-sphinx - jupyterlite-pyodide-kernel + - sphinxcontrib-sass diff --git a/build_tools/circle/doc_linux-64_conda.lock b/build_tools/circle/doc_linux-64_conda.lock index 984cca332fc7f..0d925375b643b 100644 --- a/build_tools/circle/doc_linux-64_conda.lock +++ b/build_tools/circle/doc_linux-64_conda.lock @@ -1,31 +1,31 @@ # Generated by conda-lock. # platform: linux-64 -# input_hash: b57888763997b08b2f240b5ff1ed6afcf88685f3d8c791ea8eba4d80483c43d0 +# input_hash: f6f3862aafcafa139a322e498517c3db58e1b8db95f1b1ca8c18f5b70d446dc9 @EXPLICIT https://conda.anaconda.org/conda-forge/linux-64/_libgcc_mutex-0.1-conda_forge.tar.bz2#d7c89558ba9fa0495403155b64376d81 https://conda.anaconda.org/conda-forge/linux-64/ca-certificates-2024.2.2-hbcca054_0.conda#2f4327a1cbe7f022401b236e915a5fef https://conda.anaconda.org/conda-forge/noarch/font-ttf-dejavu-sans-mono-2.37-hab24e00_0.tar.bz2#0c96522c6bdaed4b1566d11387caaf45 https://conda.anaconda.org/conda-forge/noarch/font-ttf-inconsolata-3.000-h77eed37_0.tar.bz2#34893075a5c9e55cdafac56607368fc6 https://conda.anaconda.org/conda-forge/noarch/font-ttf-source-code-pro-2.038-h77eed37_0.tar.bz2#4d59c254e01d9cde7957100457e2d5fb -https://conda.anaconda.org/conda-forge/noarch/font-ttf-ubuntu-0.83-h77eed37_1.conda#6185f640c43843e5ad6fd1c5372c3f80 +https://conda.anaconda.org/conda-forge/noarch/font-ttf-ubuntu-0.83-h77eed37_2.conda#cbbe59391138ea5ad3658c76912e147f https://conda.anaconda.org/conda-forge/noarch/kernel-headers_linux-64-2.6.32-he073ed8_17.conda#d731b543793afc0433c4fd593e693fce -https://conda.anaconda.org/conda-forge/linux-64/ld_impl_linux-64-2.40-h41732ed_0.conda#7aca3059a1729aa76c597603f10b0dd3 -https://conda.anaconda.org/conda-forge/noarch/libgcc-devel_linux-64-12.3.0-h8bca6fd_105.conda#e12ce6b051085b8f27e239f5e5f5bce5 -https://conda.anaconda.org/conda-forge/noarch/libstdcxx-devel_linux-64-12.3.0-h8bca6fd_105.conda#b3c6062c84a8e172555ee104ea6a01ab -https://conda.anaconda.org/conda-forge/linux-64/libstdcxx-ng-13.2.0-h7e041cc_5.conda#f6f6600d18a4047b54f803cf708b868a +https://conda.anaconda.org/conda-forge/linux-64/ld_impl_linux-64-2.40-hf3520f5_1.conda#33b7851c39c25da14f6a233a8ccbeeca +https://conda.anaconda.org/conda-forge/noarch/libgcc-devel_linux-64-12.3.0-h0223996_107.conda#851e9651c9e4cd5dc19f80398eba9a1c +https://conda.anaconda.org/conda-forge/noarch/libstdcxx-devel_linux-64-12.3.0-h0223996_107.conda#167a1f5d77d8f3c2a638f7eb418429f1 +https://conda.anaconda.org/conda-forge/linux-64/libstdcxx-ng-13.2.0-hc0a3c3a_7.conda#53ebd4c833fa01cb2c6353e99f905406 https://conda.anaconda.org/conda-forge/linux-64/python_abi-3.9-4_cp39.conda#bfe4b3259a8ac6cdf0037752904da6a7 https://conda.anaconda.org/conda-forge/noarch/tzdata-2024a-h0c530f3_0.conda#161081fc7cec0bfda0d86d7cb595f8d8 https://conda.anaconda.org/conda-forge/noarch/fonts-conda-forge-1-0.tar.bz2#f766549260d6815b0c52253f1fb1bb29 -https://conda.anaconda.org/conda-forge/linux-64/libgomp-13.2.0-h807b86a_5.conda#d211c42b9ce49aee3734fdc828731689 +https://conda.anaconda.org/conda-forge/linux-64/libgomp-13.2.0-h77fa898_7.conda#abf3fec87c2563697defa759dec3d639 https://conda.anaconda.org/conda-forge/noarch/sysroot_linux-64-2.12-he073ed8_17.conda#595db67e32b276298ff3d94d07d47fbf -https://conda.anaconda.org/conda-forge/linux-64/binutils_impl_linux-64-2.40-hf600244_0.conda#33084421a8c0af6aef1b439707f7662a +https://conda.anaconda.org/conda-forge/linux-64/binutils_impl_linux-64-2.40-ha1999f0_1.conda#e901545940ebdc5c40017fab53642b3c https://conda.anaconda.org/conda-forge/noarch/fonts-conda-ecosystem-1-0.tar.bz2#fee5683a3f04bd15cbd8318b096a27ab -https://conda.anaconda.org/conda-forge/linux-64/binutils-2.40-hdd6e379_0.conda#ccc940fddbc3fcd3d79cd4c654c4b5c4 +https://conda.anaconda.org/conda-forge/linux-64/binutils-2.40-h4852527_1.conda#dfaea5684bbbbf0b64a4c31f984d0661 https://conda.anaconda.org/conda-forge/linux-64/binutils_linux-64-2.40-hdade7a5_3.conda#2d9a60578bc28469d9aeef9aea5520c3 https://conda.anaconda.org/conda-forge/linux-64/_openmp_mutex-4.5-2_kmp_llvm.tar.bz2#562b26ba2e19059551a811e72ab7f793 -https://conda.anaconda.org/conda-forge/linux-64/libgcc-ng-13.2.0-h807b86a_5.conda#d4ff227c46917d3b4565302a2bbb276b +https://conda.anaconda.org/conda-forge/linux-64/libgcc-ng-13.2.0-h77fa898_7.conda#72ec1b1b04c4d15d4204ece1ecea5978 https://conda.anaconda.org/conda-forge/linux-64/alsa-lib-1.2.11-hd590300_1.conda#0bb492cca54017ea314b809b1ee3a176 -https://conda.anaconda.org/conda-forge/linux-64/aom-3.8.2-h59595ed_0.conda#625e1fed28a5139aed71b3a76117ef84 +https://conda.anaconda.org/conda-forge/linux-64/aom-3.9.0-hac33072_0.conda#93a3bf248e5bc729807db198a9c89f07 https://conda.anaconda.org/conda-forge/linux-64/attr-2.5.1-h166bdaf_1.tar.bz2#d9c69a24ad678ffce24c6543a0176b00 https://conda.anaconda.org/conda-forge/linux-64/bzip2-1.0.8-hd590300_5.conda#69b8b6202a07720f448be700e300ccf4 https://conda.anaconda.org/conda-forge/linux-64/charls-2.4.2-h59595ed_0.conda#4336bd67920dd504cd8c6761d6a99645 @@ -45,30 +45,30 @@ https://conda.anaconda.org/conda-forge/linux-64/libdeflate-1.20-hd590300_0.conda https://conda.anaconda.org/conda-forge/linux-64/libexpat-2.6.2-h59595ed_0.conda#e7ba12deb7020dd080c6c70e7b6f6a3d 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https://files.pythonhosted.org/packages/ee/07/44bd408781594c4d0a027666ef27fab1e441b109dc3b76b4f836f8fd04fe/jsonschema_specifications-2023.12.1-py3-none-any.whl#sha256=87e4fdf3a94858b8a2ba2778d9ba57d8a9cafca7c7489c46ba0d30a8bc6a9c3c # pip jupyter-server-terminals @ https://files.pythonhosted.org/packages/07/2d/2b32cdbe8d2a602f697a649798554e4f072115438e92249624e532e8aca6/jupyter_server_terminals-0.5.3-py3-none-any.whl#sha256=41ee0d7dc0ebf2809c668e0fc726dfaf258fcd3e769568996ca731b6194ae9aa # pip jupyterlite-core @ https://files.pythonhosted.org/packages/05/d2/1d59d9a70d684b1eb3eb3a0b80a36b4e1d691e94af5d53aee56b1ad5240b/jupyterlite_core-0.3.0-py3-none-any.whl#sha256=247cc34ae6fedda41b15ce4778997164508b2039bc92480665cadfe955193467 -# pip pyzmq @ https://files.pythonhosted.org/packages/76/8b/6fca99e22c6316917de32b17be299dea431544209d619da16b6d9ec85c83/pyzmq-25.1.2-cp39-cp39-manylinux_2_12_x86_64.manylinux2010_x86_64.whl#sha256=c0b5ca88a8928147b7b1e2dfa09f3b6c256bc1135a1338536cbc9ea13d3b7add 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https://files.pythonhosted.org/packages/c8/2f/324fab4be6fe37fb7b521546e8a557e6cf08c1c1b3d0b4839a00f589d9ef/jsonschema-4.22.0-py3-none-any.whl#sha256=ff4cfd6b1367a40e7bc6411caec72effadd3db0bbe5017de188f2d6108335802 +# pip jupyter-client @ https://files.pythonhosted.org/packages/cf/d3/c4bb02580bc0db807edb9a29b2d0c56031be1ef0d804336deb2699a470f6/jupyter_client-8.6.2-py3-none-any.whl#sha256=50cbc5c66fd1b8f65ecb66bc490ab73217993632809b6e505687de18e9dea39f # pip jupyterlite-pyodide-kernel @ https://files.pythonhosted.org/packages/83/bf/749279904094015d5cb7e030dd7a111f8b013b9f1809d954d04ebe0c1197/jupyterlite_pyodide_kernel-0.3.1-py3-none-any.whl#sha256=ac9d9dd95adcced57d465a7b298f220d8785845c017ad3abf2a3677ff02631c6 # pip jupyter-events @ https://files.pythonhosted.org/packages/a5/94/059180ea70a9a326e1815176b2370da56376da347a796f8c4f0b830208ef/jupyter_events-0.10.0-py3-none-any.whl#sha256=4b72130875e59d57716d327ea70d3ebc3af1944d3717e5a498b8a06c6c159960 # pip nbformat @ https://files.pythonhosted.org/packages/a9/82/0340caa499416c78e5d8f5f05947ae4bc3cba53c9f038ab6e9ed964e22f1/nbformat-5.10.4-py3-none-any.whl#sha256=3b48d6c8fbca4b299bf3982ea7db1af21580e4fec269ad087b9e81588891200b # pip nbclient @ https://files.pythonhosted.org/packages/66/e8/00517a23d3eeaed0513e718fbc94aab26eaa1758f5690fc8578839791c79/nbclient-0.10.0-py3-none-any.whl#sha256=f13e3529332a1f1f81d82a53210322476a168bb7090a0289c795fe9cc11c9d3f -# pip nbconvert @ https://files.pythonhosted.org/packages/23/8a/8d67cbd984739247e4b205c1143e2f71b25b4f71e180fe70f7cb2cf02633/nbconvert-7.16.3-py3-none-any.whl#sha256=ddeff14beeeedf3dd0bc506623e41e4507e551736de59df69a91f86700292b3b +# pip nbconvert @ https://files.pythonhosted.org/packages/b8/bb/bb5b6a515d1584aa2fd89965b11db6632e4bdc69495a52374bcc36e56cfa/nbconvert-7.16.4-py3-none-any.whl#sha256=05873c620fe520b6322bf8a5ad562692343fe3452abda5765c7a34b7d1aa3eb3 # pip jupyter-server @ https://files.pythonhosted.org/packages/07/46/6bb926b3bf878bf687b952fb6a4c09d014b4575a25960f2cd1a61793763f/jupyter_server-2.14.0-py3-none-any.whl#sha256=fb6be52c713e80e004fac34b35a0990d6d36ba06fd0a2b2ed82b899143a64210 -# pip jupyterlab-server @ https://files.pythonhosted.org/packages/6a/c9/b270a875916b18f137bb30ecd05031a2f05c95d47a8e8fbd3f805a72f593/jupyterlab_server-2.26.0-py3-none-any.whl#sha256=54622cbd330526a385ee0c1fdccdff3a1e7219bf3e864a335284a1270a1973df -# pip jupyterlite-sphinx @ https://files.pythonhosted.org/packages/38/c9/5f1142c005cf8d75830b10029e53f074324bc85cfca1f1d0f22a207b771c/jupyterlite_sphinx-0.9.3-py3-none-any.whl#sha256=be6332d16490ea2fa90b78187a2c5e1c357195966a25741d60b1790346571041 +# pip jupyterlab-server @ https://files.pythonhosted.org/packages/cb/46/d5ffd7c0f63db4e9f0982c3d58efeea10fc5f47e79fb328431df78843772/jupyterlab_server-2.27.2-py3-none-any.whl#sha256=54aa2d64fd86383b5438d9f0c032f043c4d8c0264b8af9f60bd061157466ea43 +# pip jupyterlite-sphinx @ https://files.pythonhosted.org/packages/71/2c/bd797dc46a7281d43444c79ff312d4f8d27d41a0de05f48cad81c7939966/jupyterlite_sphinx-0.15.0-py3-none-any.whl#sha256=344d1f9ee5a20b141a4a4139874eae30a68216f0c995d03ea2e3b3e9d29c4cd5 diff --git a/build_tools/circle/doc_min_dependencies_environment.yml b/build_tools/circle/doc_min_dependencies_environment.yml index 298a60e8ec4ff..e27c3a700fdad 100644 --- a/build_tools/circle/doc_min_dependencies_environment.yml +++ b/build_tools/circle/doc_min_dependencies_environment.yml @@ -14,7 +14,7 @@ dependencies: - matplotlib=3.3.4 # min - pandas=1.1.5 # min - pyamg - - pytest<8 + - pytest - pytest-xdist - pillow - pip @@ -24,14 +24,18 @@ dependencies: - seaborn - memory_profiler - compilers - - sphinx=6.0.0 # min - - sphinx-gallery=0.15.0 # min + - sphinx=7.3.7 # min + - sphinx-gallery=0.16.0 # min - sphinx-copybutton=0.5.2 # min - numpydoc=1.2.0 # min - - sphinx-prompt=1.3.0 # min + - sphinx-prompt=1.4.0 # min - plotly=5.14.0 # min - - polars=0.19.12 # min - - pooch + - polars=0.20.23 # min + - pooch=1.6.0 # min + - sphinx-remove-toctrees=1.0.0.post1 # min + - sphinx-design=0.5.0 # min + - pydata-sphinx-theme=0.15.3 # min - pip - pip: - - sphinxext-opengraph==0.4.2 # min + - sphinxext-opengraph==0.9.1 # min + - sphinxcontrib-sass==0.3.4 # min diff --git a/build_tools/circle/doc_min_dependencies_linux-64_conda.lock b/build_tools/circle/doc_min_dependencies_linux-64_conda.lock index 3bc6b95df2fe4..3708a86ff6a7a 100644 --- a/build_tools/circle/doc_min_dependencies_linux-64_conda.lock +++ b/build_tools/circle/doc_min_dependencies_linux-64_conda.lock @@ -1,30 +1,30 @@ # Generated by conda-lock. # platform: linux-64 -# input_hash: 32601810330a8200864f7908d07d870a3a58931be4f833691b2b5c7937f2d330 +# input_hash: aa64e81a701c97b7c4cf149f108c3ca59fc65572bfda79dbaeb2d093afc8a665 @EXPLICIT https://conda.anaconda.org/conda-forge/linux-64/_libgcc_mutex-0.1-conda_forge.tar.bz2#d7c89558ba9fa0495403155b64376d81 https://conda.anaconda.org/conda-forge/linux-64/ca-certificates-2024.2.2-hbcca054_0.conda#2f4327a1cbe7f022401b236e915a5fef https://conda.anaconda.org/conda-forge/noarch/font-ttf-dejavu-sans-mono-2.37-hab24e00_0.tar.bz2#0c96522c6bdaed4b1566d11387caaf45 https://conda.anaconda.org/conda-forge/noarch/font-ttf-inconsolata-3.000-h77eed37_0.tar.bz2#34893075a5c9e55cdafac56607368fc6 https://conda.anaconda.org/conda-forge/noarch/font-ttf-source-code-pro-2.038-h77eed37_0.tar.bz2#4d59c254e01d9cde7957100457e2d5fb -https://conda.anaconda.org/conda-forge/noarch/font-ttf-ubuntu-0.83-h77eed37_1.conda#6185f640c43843e5ad6fd1c5372c3f80 +https://conda.anaconda.org/conda-forge/noarch/font-ttf-ubuntu-0.83-h77eed37_2.conda#cbbe59391138ea5ad3658c76912e147f https://conda.anaconda.org/conda-forge/noarch/kernel-headers_linux-64-2.6.32-he073ed8_17.conda#d731b543793afc0433c4fd593e693fce -https://conda.anaconda.org/conda-forge/linux-64/ld_impl_linux-64-2.40-h41732ed_0.conda#7aca3059a1729aa76c597603f10b0dd3 -https://conda.anaconda.org/conda-forge/noarch/libgcc-devel_linux-64-12.3.0-h8bca6fd_105.conda#e12ce6b051085b8f27e239f5e5f5bce5 -https://conda.anaconda.org/conda-forge/noarch/libstdcxx-devel_linux-64-12.3.0-h8bca6fd_105.conda#b3c6062c84a8e172555ee104ea6a01ab -https://conda.anaconda.org/conda-forge/linux-64/libstdcxx-ng-13.2.0-h7e041cc_5.conda#f6f6600d18a4047b54f803cf708b868a -https://conda.anaconda.org/conda-forge/linux-64/mkl-include-2024.1.0-ha957f24_692.conda#b35af3f0f25498f4e9fc4c471910346c +https://conda.anaconda.org/conda-forge/linux-64/ld_impl_linux-64-2.40-hf3520f5_1.conda#33b7851c39c25da14f6a233a8ccbeeca +https://conda.anaconda.org/conda-forge/noarch/libgcc-devel_linux-64-12.3.0-h0223996_107.conda#851e9651c9e4cd5dc19f80398eba9a1c +https://conda.anaconda.org/conda-forge/noarch/libstdcxx-devel_linux-64-12.3.0-h0223996_107.conda#167a1f5d77d8f3c2a638f7eb418429f1 +https://conda.anaconda.org/conda-forge/linux-64/libstdcxx-ng-13.2.0-hc0a3c3a_7.conda#53ebd4c833fa01cb2c6353e99f905406 +https://conda.anaconda.org/conda-forge/linux-64/mkl-include-2024.1.0-ha957f24_693.conda#249c91c2186d236c6d180342241db2ec https://conda.anaconda.org/conda-forge/linux-64/python_abi-3.9-4_cp39.conda#bfe4b3259a8ac6cdf0037752904da6a7 https://conda.anaconda.org/conda-forge/noarch/tzdata-2024a-h0c530f3_0.conda#161081fc7cec0bfda0d86d7cb595f8d8 https://conda.anaconda.org/conda-forge/noarch/fonts-conda-forge-1-0.tar.bz2#f766549260d6815b0c52253f1fb1bb29 -https://conda.anaconda.org/conda-forge/linux-64/libgomp-13.2.0-h807b86a_5.conda#d211c42b9ce49aee3734fdc828731689 +https://conda.anaconda.org/conda-forge/linux-64/libgomp-13.2.0-h77fa898_7.conda#abf3fec87c2563697defa759dec3d639 https://conda.anaconda.org/conda-forge/noarch/sysroot_linux-64-2.12-he073ed8_17.conda#595db67e32b276298ff3d94d07d47fbf -https://conda.anaconda.org/conda-forge/linux-64/binutils_impl_linux-64-2.40-hf600244_0.conda#33084421a8c0af6aef1b439707f7662a 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https://conda.anaconda.org/conda-forge/linux-64/blas-devel-3.9.0-22_linux64_mkl.conda#3cb0e51433c88d2f4cdfb50c5c08a683 -https://conda.anaconda.org/conda-forge/linux-64/imagecodecs-lite-2019.12.3-py39hd257fcd_5.tar.bz2#32dba66d6abc2b4b5b019c9e54307312 -https://conda.anaconda.org/conda-forge/noarch/imageio-2.34.0-pyh4b66e23_0.conda#b8853659d596f967c661f544dd89ede7 +https://conda.anaconda.org/conda-forge/linux-64/imagecodecs-lite-2019.12.3-py39hd92a3bb_8.conda#5eb64443d4d973c31e179a498e1bb4a2 +https://conda.anaconda.org/conda-forge/noarch/imageio-2.34.1-pyh4b66e23_0.conda#bcf6a6f4c6889ca083e8d33afbafb8d5 https://conda.anaconda.org/conda-forge/linux-64/matplotlib-base-3.3.4-py39h2fa2bec_0.tar.bz2#9ec0b2186fab9121c54f4844f93ee5b7 https://conda.anaconda.org/conda-forge/linux-64/pandas-1.1.5-py39hde0f152_0.tar.bz2#79fc4b5b3a865b90dd3701cecf1ad33c https://conda.anaconda.org/conda-forge/noarch/patsy-0.5.6-pyhd8ed1ab_0.conda#a5b55d1cb110cdcedc748b5c3e16e687 -https://conda.anaconda.org/conda-forge/linux-64/polars-0.19.12-py39h90d8ae4_0.conda#191828961c95f8d59fa2b86a590f9905 +https://conda.anaconda.org/conda-forge/linux-64/polars-0.20.23-py39ha963410_0.conda#4871f09d653e979d598d2d4cd5fa868d https://conda.anaconda.org/conda-forge/linux-64/pyqt-5.15.9-py39h52134e7_5.conda#e1f148e57d071b09187719df86f513c1 https://conda.anaconda.org/conda-forge/linux-64/pywavelets-1.3.0-py39hd257fcd_1.tar.bz2#c4b698994b2d8d2e659ae02202e6abe4 https://conda.anaconda.org/conda-forge/linux-64/scipy-1.6.0-py39hee8e79c_0.tar.bz2#3afcb78281836e61351a2924f3230060 @@ -236,13 +239,18 @@ https://conda.anaconda.org/conda-forge/noarch/tifffile-2020.6.3-py_0.tar.bz2#1fb https://conda.anaconda.org/conda-forge/linux-64/scikit-image-0.17.2-py39hde0f152_4.tar.bz2#2a58a7e382317b03f023b2fddf40f8a1 https://conda.anaconda.org/conda-forge/noarch/seaborn-0.12.2-hd8ed1ab_0.conda#50847a47c07812f88581081c620f5160 https://conda.anaconda.org/conda-forge/noarch/numpydoc-1.2-pyhd8ed1ab_0.tar.bz2#025ad7ca2c7f65007ab6b6f5d93a56eb +https://conda.anaconda.org/conda-forge/noarch/pydata-sphinx-theme-0.15.3-pyhd8ed1ab_0.conda#55e445f4fcb07f2471fb0e1102d36488 https://conda.anaconda.org/conda-forge/noarch/sphinx-copybutton-0.5.2-pyhd8ed1ab_0.conda#ac832cc43adc79118cf6e23f1f9b8995 -https://conda.anaconda.org/conda-forge/noarch/sphinx-gallery-0.15.0-pyhd8ed1ab_0.conda#1a49ca9515ef9a96edff2eea06143dc6 -https://conda.anaconda.org/conda-forge/noarch/sphinx-prompt-1.3.0-py_0.tar.bz2#9363002e2a134a287af4e32ff0f26cdc +https://conda.anaconda.org/conda-forge/noarch/sphinx-design-0.5.0-pyhd8ed1ab_0.conda#264b3c697fa9cdade87eb0abe4440d54 +https://conda.anaconda.org/conda-forge/noarch/sphinx-gallery-0.16.0-pyhd8ed1ab_0.conda#add28691ee89e875b190eda07929d5d4 +https://conda.anaconda.org/conda-forge/noarch/sphinx-prompt-1.4.0-pyhd8ed1ab_0.tar.bz2#88ee91e8679603f2a5bd036d52919cc2 +https://conda.anaconda.org/conda-forge/noarch/sphinx-remove-toctrees-1.0.0.post1-pyhd8ed1ab_0.conda#6dee8412218288a17f99f2cfffab334d https://conda.anaconda.org/conda-forge/noarch/sphinxcontrib-applehelp-1.0.8-pyhd8ed1ab_0.conda#611a35a27914fac3aa37611a6fe40bb5 https://conda.anaconda.org/conda-forge/noarch/sphinxcontrib-devhelp-1.0.6-pyhd8ed1ab_0.conda#d7e4954df0d3aea2eacc7835ad12671d https://conda.anaconda.org/conda-forge/noarch/sphinxcontrib-htmlhelp-2.0.5-pyhd8ed1ab_0.conda#7e1e7437273682ada2ed5e9e9714b140 https://conda.anaconda.org/conda-forge/noarch/sphinxcontrib-qthelp-1.0.7-pyhd8ed1ab_0.conda#26acae54b06f178681bfb551760f5dd1 -https://conda.anaconda.org/conda-forge/noarch/sphinx-6.0.0-pyhd8ed1ab_2.conda#ac1d3b55da1669ee3a56973054fd7efb +https://conda.anaconda.org/conda-forge/noarch/sphinx-7.3.7-pyhd8ed1ab_0.conda#7b1465205e28d75d2c0e1a868ee00a67 https://conda.anaconda.org/conda-forge/noarch/sphinxcontrib-serializinghtml-1.1.10-pyhd8ed1ab_0.conda#e507335cb4ca9cff4c3d0fa9cdab255e -# pip sphinxext-opengraph @ https://files.pythonhosted.org/packages/50/ac/c105ed3e0a00b14b28c0aa630935af858fd8a32affeff19574b16e2c6ae8/sphinxext_opengraph-0.4.2-py3-none-any.whl#sha256=a51f2604f9a5b6c0d25d3a88e694d5c02e20812dc0e482adf96c8628f9109357 +# pip libsass @ https://files.pythonhosted.org/packages/fd/5a/eb5b62641df0459a3291fc206cf5bd669c0feed7814dded8edef4ade8512/libsass-0.23.0-cp38-abi3-manylinux_2_5_x86_64.manylinux1_x86_64.whl#sha256=4a218406d605f325d234e4678bd57126a66a88841cb95bee2caeafdc6f138306 +# pip sphinxcontrib-sass @ https://files.pythonhosted.org/packages/2e/87/7c2eb08e3ca1d6baae32c0a5e005330fe1cec93a36aa085e714c3b3a3c7d/sphinxcontrib_sass-0.3.4-py2.py3-none-any.whl#sha256=a0c79a44ae8b8935c02dc340ebe40c9e002c839331201c899dc93708970c355a +# pip sphinxext-opengraph @ https://files.pythonhosted.org/packages/92/0a/970b80b4fa1feeb6deb6f2e22d4cb14e388b27b315a1afdb9db930ff91a4/sphinxext_opengraph-0.9.1-py3-none-any.whl#sha256=b3b230cc6a5b5189139df937f0d9c7b23c7c204493b22646273687969dcb760e diff --git a/build_tools/circle/list_versions.py b/build_tools/circle/list_versions.py index 345e08b4bece4..e1f8d54b84ec5 100755 --- a/build_tools/circle/list_versions.py +++ b/build_tools/circle/list_versions.py @@ -1,6 +1,11 @@ #!/usr/bin/env python3 -# List all available versions of the documentation +# Write the available versions page (--rst) and the version switcher JSON (--json). +# Version switcher see: +# https://pydata-sphinx-theme.readthedocs.io/en/stable/user_guide/version-dropdown.html +# https://pydata-sphinx-theme.readthedocs.io/en/stable/user_guide/announcements.html#announcement-banners + +import argparse import json import re import sys @@ -52,14 +57,19 @@ def get_file_size(version): return human_readable_data_quantity(path_details["size"], 1000) -print(":orphan:") -print() -heading = "Available documentation for Scikit-learn" -print(heading) -print("=" * len(heading)) -print() -print("Web-based documentation is available for versions listed below:") -print() +parser = argparse.ArgumentParser() +parser.add_argument("--rst", type=str, required=True) +parser.add_argument("--json", type=str, required=True) +args = parser.parse_args() + +heading = "Available documentation for scikit-learn" +json_content = [] +rst_content = [ + ":orphan:\n", + heading, + "=" * len(heading) + "\n", + "Web-based documentation is available for versions listed below:\n", +] ROOT_URL = ( "https://api.github.com/repos/scikit-learn/scikit-learn.github.io/contents/" # noqa @@ -93,8 +103,9 @@ def get_file_size(version): # Output in order: dev, stable, decreasing other version seen = set() -for name in NAMED_DIRS + sorted( - (k for k in dirs if k[:1].isdigit()), key=parse_version, reverse=True +for i, name in enumerate( + NAMED_DIRS + + sorted((k for k in dirs if k[:1].isdigit()), key=parse_version, reverse=True) ): version_num, file_size = dirs[name] if version_num in seen: @@ -102,17 +113,32 @@ def get_file_size(version): continue else: seen.add(version_num) - name_display = "" if name[:1].isdigit() else " (%s)" % name - path = "https://scikit-learn.org/%s/" % name - out = "* `Scikit-learn %s%s documentation <%s>`_" % ( - version_num, - name_display, - path, - ) + + full_name = f"{version_num}" if name[:1].isdigit() else f"{version_num} ({name})" + path = f"https://scikit-learn.org/{name}/" + + # Update JSON for the version switcher; only keep the 8 latest versions to avoid + # overloading the version switcher dropdown + if i < 8: + info = {"name": full_name, "version": version_num, "url": path} + if name == "stable": + info["preferred"] = True + json_content.append(info) + + # Printout for the historical version page + out = f"* `scikit-learn {full_name} documentation <{path}>`_" if file_size is not None: file_extension = get_file_extension(version_num) out += ( f" (`{file_extension.upper()} {file_size} <{path}/" f"_downloads/scikit-learn-docs.{file_extension}>`_)" ) - print(out) + rst_content.append(out) + +with open(args.rst, "w", encoding="utf-8") as f: + f.write("\n".join(rst_content) + "\n") +print(f"Written {args.rst}") + +with open(args.json, "w", encoding="utf-8") as f: + json.dump(json_content, f, indent=2) +print(f"Written {args.json}") diff --git a/build_tools/cirrus/pymin_conda_forge_environment.yml b/build_tools/cirrus/pymin_conda_forge_environment.yml index 684c4636daad4..e41cc7f610ac0 100644 --- a/build_tools/cirrus/pymin_conda_forge_environment.yml +++ b/build_tools/cirrus/pymin_conda_forge_environment.yml @@ -12,7 +12,7 @@ dependencies: - joblib - threadpoolctl - matplotlib - - pytest<8 + - pytest - pytest-xdist - pillow - pip diff --git a/build_tools/cirrus/pymin_conda_forge_linux-aarch64_conda.lock b/build_tools/cirrus/pymin_conda_forge_linux-aarch64_conda.lock index 62e2d83af5c45..5d0c005fbdb17 100644 --- a/build_tools/cirrus/pymin_conda_forge_linux-aarch64_conda.lock +++ b/build_tools/cirrus/pymin_conda_forge_linux-aarch64_conda.lock @@ -1,48 +1,48 @@ # Generated by conda-lock. # platform: linux-aarch64 -# input_hash: 80459c6003cbcd22780a22a62ed5cc116e951d5c2c14602af1281434263b9138 +# input_hash: 2d8c526ab7c0c2f0ca509bfec3f035e5bd33b8096f194f0747f167c8aff66383 @EXPLICIT https://conda.anaconda.org/conda-forge/linux-aarch64/ca-certificates-2024.2.2-hcefe29a_0.conda#57c226edb90c4e973b9b7503537dd339 -https://conda.anaconda.org/conda-forge/linux-aarch64/ld_impl_linux-aarch64-2.40-h2d8c526_0.conda#16246d69e945d0b1969a6099e7c5d457 -https://conda.anaconda.org/conda-forge/linux-aarch64/libstdcxx-ng-13.2.0-h9a76618_5.conda#1b79d37dce0fad96bdf3de03925f43b4 +https://conda.anaconda.org/conda-forge/linux-aarch64/ld_impl_linux-aarch64-2.40-h9fc2d93_1.conda#8a90b17a5d12ba55b7d90534f38579d0 +https://conda.anaconda.org/conda-forge/linux-aarch64/libstdcxx-ng-13.2.0-h3f4de04_7.conda#2a54872c7fab2db99b0074212d8efe64 https://conda.anaconda.org/conda-forge/linux-aarch64/python_abi-3.9-4_cp39.conda#c191905a08694e4a5cb1238e90233878 https://conda.anaconda.org/conda-forge/noarch/tzdata-2024a-h0c530f3_0.conda#161081fc7cec0bfda0d86d7cb595f8d8 https://conda.anaconda.org/conda-forge/linux-aarch64/_openmp_mutex-4.5-2_kmp_llvm.tar.bz2#98a1185182fec3c434069fa74e6473d6 -https://conda.anaconda.org/conda-forge/linux-aarch64/libgcc-ng-13.2.0-hf8544c7_5.conda#dee934e640275d9e74e7bbd455f25162 +https://conda.anaconda.org/conda-forge/linux-aarch64/libgcc-ng-13.2.0-he277a41_7.conda#01c5b27ce46f50abab2dc8454842c792 https://conda.anaconda.org/conda-forge/linux-aarch64/bzip2-1.0.8-h31becfc_5.conda#a64e35f01e0b7a2a152eca87d33b9c87 https://conda.anaconda.org/conda-forge/linux-aarch64/lerc-4.0.0-h4de3ea5_0.tar.bz2#1a0ffc65e03ce81559dbcb0695ad1476 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+https://conda.anaconda.org/conda-forge/linux-aarch64/llvm-openmp-18.1.6-h767c9be_0.conda#67c8fa683c39feeae5d0e915d79fb061 https://conda.anaconda.org/conda-forge/linux-aarch64/python-3.9.19-h4ac3b42_0_cpython.conda#1501507cd9451472ec8900d587ce872f https://conda.anaconda.org/conda-forge/linux-aarch64/brotli-1.1.0-h31becfc_1.conda#e41f5862ac746428407f3fd44d2ed01f https://conda.anaconda.org/conda-forge/linux-aarch64/ccache-4.9.1-h6552966_0.conda#758b202f61f6bbfd2c6adf0fde043276 @@ -60,35 +60,35 @@ https://conda.anaconda.org/conda-forge/noarch/munkres-1.1.4-pyh9f0ad1d_0.tar.bz2 https://conda.anaconda.org/conda-forge/linux-aarch64/openblas-0.3.27-pthreads_h339cbfa_0.conda#cb06c34a3056f59e9e244c20836add8a https://conda.anaconda.org/conda-forge/linux-aarch64/openjpeg-2.5.2-h0d9d63b_0.conda#fd2898519e839d5ceb778343f39a3176 https://conda.anaconda.org/conda-forge/noarch/packaging-24.0-pyhd8ed1ab_0.conda#248f521b64ce055e7feae3105e7abeb8 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-https://conda.anaconda.org/conda-forge/noarch/joblib-1.4.0-pyhd8ed1ab_0.conda#e0ed1bf13ce3a440e022157bf4764465 +https://conda.anaconda.org/conda-forge/noarch/joblib-1.4.2-pyhd8ed1ab_0.conda#25df261d4523d9f9783bcdb7208d872f https://conda.anaconda.org/conda-forge/linux-aarch64/libcblas-3.9.0-22_linuxaarch64_openblas.conda#fbe7fe553f2cc78a0311e009b26f180d https://conda.anaconda.org/conda-forge/linux-aarch64/liblapack-3.9.0-22_linuxaarch64_openblas.conda#8c709d281609792c39b1d5c0241f90f1 https://conda.anaconda.org/conda-forge/noarch/meson-1.4.0-pyhd8ed1ab_0.conda#52a0660cfa40b45bf254ecc3374cb2e0 https://conda.anaconda.org/conda-forge/linux-aarch64/pillow-10.3.0-py39h71661b1_0.conda#dae548b7b537d7ef796d1d4c38a55319 https://conda.anaconda.org/conda-forge/noarch/pip-24.0-pyhd8ed1ab_0.conda#f586ac1e56c8638b64f9c8122a7b8a67 -https://conda.anaconda.org/conda-forge/noarch/pyproject-metadata-0.7.1-pyhd8ed1ab_0.conda#dcb27826ffc94d5f04e241322239983b 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https://conda.anaconda.org/conda-forge/linux-aarch64/numpy-1.26.4-py39h91c28bb_0.conda#d88e195f11a9f27e649aea408b54cb48 https://conda.anaconda.org/conda-forge/noarch/pytest-xdist-3.5.0-pyhd8ed1ab_0.conda#d5f595da2daead898ca958ac62f0307b https://conda.anaconda.org/conda-forge/linux-aarch64/blas-devel-3.9.0-22_linuxaarch64_openblas.conda#a5b77b6c6807661afd716f33e85814b3 https://conda.anaconda.org/conda-forge/linux-aarch64/contourpy-1.2.1-py39hd16970a_0.conda#66b9718539ecdd38876b0176c315bcad -https://conda.anaconda.org/conda-forge/linux-aarch64/scipy-1.13.0-py39h91c28bb_0.conda#2b6f1ed053a61c2447304e4b810fc397 +https://conda.anaconda.org/conda-forge/linux-aarch64/scipy-1.13.1-py39hb921187_0.conda#1aac9080de661e03d286f18fb71e5240 https://conda.anaconda.org/conda-forge/linux-aarch64/blas-2.122-openblas.conda#65bc48b3bc85f8eeeab54311443a83aa -https://conda.anaconda.org/conda-forge/linux-aarch64/matplotlib-base-3.8.4-py39h8e43113_0.conda#f397ddfe5c551732de61a92106a14cf3 -https://conda.anaconda.org/conda-forge/linux-aarch64/matplotlib-3.8.4-py39ha65689a_0.conda#d501bb96ff505fdd431fd8fdac8efbf9 +https://conda.anaconda.org/conda-forge/linux-aarch64/matplotlib-base-3.8.4-py39hf44f4b6_2.conda#fadf734d38ed608c9f0b5c91fe79cfb4 +https://conda.anaconda.org/conda-forge/linux-aarch64/matplotlib-3.8.4-py39ha65689a_2.conda#c0472e3c4b3f007de6d643317c30963b diff --git a/build_tools/generate_authors_table.py b/build_tools/generate_authors_table.py index 28bb267b6f721..483dc3739506e 100644 --- a/build_tools/generate_authors_table.py +++ b/build_tools/generate_authors_table.py @@ -214,11 +214,13 @@ def generate_list(contributors): documentation_team, ) = get_contributors() - with open(REPO_FOLDER / "doc" / "authors.rst", "w+", encoding="utf-8") as rst_file: + with open( + REPO_FOLDER / "doc" / "maintainers.rst", "w+", encoding="utf-8" + ) as rst_file: rst_file.write(generate_table(core_devs)) with open( - REPO_FOLDER / "doc" / "authors_emeritus.rst", "w+", encoding="utf-8" + REPO_FOLDER / "doc" / "maintainers_emeritus.rst", "w+", encoding="utf-8" ) as rst_file: rst_file.write(generate_list(emeritus)) diff --git a/build_tools/github/repair_windows_wheels.sh b/build_tools/github/repair_windows_wheels.sh index cdd0c0c79d8c4..8f51a34d4039b 100755 --- a/build_tools/github/repair_windows_wheels.sh +++ b/build_tools/github/repair_windows_wheels.sh @@ -8,6 +8,7 @@ DEST_DIR=$2 # By default, the Windows wheels are not repaired. # In this case, we need to vendor VCRUNTIME140.dll +pip install wheel wheel unpack "$WHEEL" WHEEL_DIRNAME=$(ls -d scikit_learn-*) python build_tools/github/vendor.py "$WHEEL_DIRNAME" diff --git a/build_tools/update_environments_and_lock_files.py b/build_tools/update_environments_and_lock_files.py index fd77cfd3c0721..ce457cabb1e53 100644 --- a/build_tools/update_environments_and_lock_files.py +++ b/build_tools/update_environments_and_lock_files.py @@ -82,12 +82,7 @@ docstring_test_dependencies = ["sphinx", "numpydoc"] -default_package_constraints = { - # TODO: somehow pytest 8 does not seem to work with meson editable - # install. Exit code is 5, i.e. no test collected - # This would be fixed by https://github.com/mesonbuild/meson-python/pull/569 - "pytest": "<8", -} +default_package_constraints = {} def remove_from(alist, to_remove): @@ -141,7 +136,10 @@ def remove_from(alist, to_remove): "folder": "build_tools/azure", "platform": "osx-64", "channel": "defaults", - "conda_dependencies": remove_from(common_dependencies, ["cython"]) + ["ccache"], + "conda_dependencies": remove_from( + common_dependencies, ["cython", "threadpoolctl", "meson-python"] + ) + + ["ccache"], "package_constraints": { "blas": "[build=mkl]", # scipy 1.12.x crashes on this platform (https://github.com/scipy/scipy/pull/20086) @@ -149,9 +147,9 @@ def remove_from(alist, to_remove): # channel. "scipy": "<1.12", }, - # TODO: put cython back to conda dependencies when required version is - # available on the main channel - "pip_dependencies": ["cython"], + # TODO: put cython, threadpoolctl and meson-python back to conda + # dependencies when required version is available on the main channel + "pip_dependencies": ["cython", "threadpoolctl", "meson-python"], }, { "name": "pymin_conda_defaults_openblas", @@ -161,7 +159,8 @@ def remove_from(alist, to_remove): "platform": "linux-64", "channel": "defaults", "conda_dependencies": remove_from( - common_dependencies, ["pandas", "cython", "pip", "ninja", "meson-python"] + common_dependencies, + ["pandas", "threadpoolctl", "pip", "ninja", "meson-python"], ) + ["ccache"], "package_constraints": { @@ -170,12 +169,13 @@ def remove_from(alist, to_remove): "numpy": "1.21", # the min version is not available on the defaults channel "scipy": "1.7", # the min version has some low level crashes "matplotlib": "min", - "threadpoolctl": "2.2.0", "cython": "min", + "joblib": "min", + "threadpoolctl": "min", }, - # TODO: put cython back to conda dependencies when required version is - # available on the main channel - "pip_dependencies": ["cython"], + # TODO: put pip dependencies back to conda dependencies when required + # version is available on the defaults channel. + "pip_dependencies": ["threadpoolctl"], }, { "name": "pymin_conda_forge_openblas_ubuntu_2204", @@ -302,8 +302,14 @@ def remove_from(alist, to_remove): "plotly", "polars", "pooch", + "sphinx-remove-toctrees", + "sphinx-design", + "pydata-sphinx-theme", + ], + "pip_dependencies": [ + "sphinxext-opengraph", + "sphinxcontrib-sass", ], - "pip_dependencies": ["sphinxext-opengraph"], "package_constraints": { "python": "3.9", "numpy": "min", @@ -320,6 +326,11 @@ def remove_from(alist, to_remove): "sphinxext-opengraph": "min", "plotly": "min", "polars": "min", + "pooch": "min", + "sphinx-design": "min", + "sphinxcontrib-sass": "min", + "sphinx-remove-toctrees": "min", + "pydata-sphinx-theme": "min", }, }, { @@ -344,8 +355,15 @@ def remove_from(alist, to_remove): "polars", "pooch", "sphinxext-opengraph", + "sphinx-remove-toctrees", + "sphinx-design", + "pydata-sphinx-theme", + ], + "pip_dependencies": [ + "jupyterlite-sphinx", + "jupyterlite-pyodide-kernel", + "sphinxcontrib-sass", ], - "pip_dependencies": ["jupyterlite-sphinx", "jupyterlite-pyodide-kernel"], "package_constraints": { "python": "3.9", }, @@ -381,7 +399,7 @@ def remove_from(alist, to_remove): ], "package_constraints": { "joblib": "min", - "threadpoolctl": "2.2.0", + "threadpoolctl": "3.1.0", "pytest": "min", "pytest-cov": "min", # no pytest-xdist because it causes issue on 32bit @@ -421,7 +439,7 @@ def execute_command(command_list): ) out, err = proc.communicate() - out, err = out.decode(), err.decode() + out, err = out.decode(errors="replace"), err.decode(errors="replace") if proc.returncode != 0: command_str = " ".join(command_list) diff --git a/doc/Makefile b/doc/Makefile index 44f02585f6205..f84d3c78b8051 100644 --- a/doc/Makefile +++ b/doc/Makefile @@ -47,9 +47,17 @@ help: clean: -rm -rf $(BUILDDIR)/* + @echo "Removed $(BUILDDIR)/*" -rm -rf auto_examples/ + @echo "Removed auto_examples/" -rm -rf generated/* + @echo "Removed generated/" -rm -rf modules/generated/ + @echo "Removed modules/generated/" + -rm -rf css/styles/ + @echo "Removed css/styles/" + -rm -rf api/*.rst + @echo "Removed api/*.rst" # Default to SPHINX_NUMJOBS=1 for full documentation build. Using # SPHINX_NUMJOBS!=1 may actually slow down the build, or cause weird issues in diff --git a/doc/about.rst b/doc/about.rst index 2a689646c1abb..47d57e4737318 100644 --- a/doc/about.rst +++ b/doc/about.rst @@ -13,8 +13,8 @@ this project as part of his thesis. In 2010 Fabian Pedregosa, Gael Varoquaux, Alexandre Gramfort and Vincent Michel of INRIA took leadership of the project and made the first public release, February the 1st 2010. Since then, several releases have appeared -following a ~ 3-month cycle, and a thriving international community has -been leading the development. +following an approximately 3-month cycle, and a thriving international +community has been leading the development. Governance ---------- @@ -22,32 +22,48 @@ Governance The decision making process and governance structure of scikit-learn is laid out in the :ref:`governance document `. -Authors -------- +.. The "author" anchors below is there to ensure that old html links (in + the form of "about.html#author" still work) + +.. _authors: + +The people behind scikit-learn +------------------------------ + +Scikit-learn is a community project, developed by a large group of +people, all across the world. A few teams, listed below, have central +roles, however a more complete list of contributors can be found `on +github +`__. -The following people are currently core contributors to scikit-learn's development -and maintenance: +Maintainers Team +................ -.. include:: authors.rst +The following people are currently maintainers, in charge of +consolidating scikit-learn's development and maintenance: -Please do not email the authors directly to ask for assistance or report issues. -Instead, please see `What's the best way to ask questions about scikit-learn -`_ -in the FAQ. +.. include:: maintainers.rst + +.. note:: + + Please do not email the authors directly to ask for assistance or report issues. + Instead, please see `What's the best way to ask questions about scikit-learn + `_ + in the FAQ. .. seealso:: - :ref:`How you can contribute to the project ` + How you can :ref:`contribute to the project `. Documentation Team ------------------- +.................. The following people help with documenting the project: .. include:: documentation_team.rst Contributor Experience Team ---------------------------- +........................... The following people are active contributors who also help with :ref:`triaging issues `, PRs, and general @@ -56,24 +72,23 @@ maintenance: .. include:: contributor_experience_team.rst Communication Team ------------------- +.................. The following people help with :ref:`communication around scikit-learn `. .. include:: communication_team.rst - Emeritus Core Developers ------------------------- +........................ The following people have been active contributors in the past, but are no longer active in the project: -.. include:: authors_emeritus.rst +.. include:: maintainers_emeritus.rst Emeritus Communication Team ---------------------------- +........................... The following people have been active in the communication team in the past, but no longer have communication responsibilities: @@ -81,7 +96,7 @@ past, but no longer have communication responsibilities: .. include:: communication_team_emeritus.rst Emeritus Contributor Experience Team ------------------------------------- +.................................... The following people have been active in the contributor experience team in the past: @@ -143,462 +158,305 @@ High quality PNG and SVG logos are available in the `doc/logos/ source directory. .. image:: images/scikit-learn-logo-notext.png - :align: center + :align: center Funding ------- -Scikit-Learn is a community driven project, however institutional and private + +Scikit-learn is a community driven project, however institutional and private grants help to assure its sustainability. The project would like to thank the following funders. ................................... +.. div:: sk-text-image-grid-small -.. raw:: html - -
-
- -`:probabl. `_ funds Adrin Jalali, Arturo Amor, -François Goupil, Guillaume Lemaitre, Jérémie du Boisberranger, Olivier Grisel, and -Stefanie Senger. + .. div:: text-box -.. raw:: html - -
+ `:probabl. `_ funds Adrin Jalali, Arturo Amor, François Goupil, + Guillaume Lemaitre, Jérémie du Boisberranger, Olivier Grisel, and Stefanie Senger. -
+ .. div:: image-box -.. image:: images/probabl.png - :width: 75pt - :align: center - :target: https://probabl.ai - -.. raw:: html - -
-
+ .. image:: images/probabl.png + :target: https://probabl.ai .......... -.. raw:: html - -
-
- -The `Members `_ of -the `Scikit-Learn Consortium at Inria Foundation -`_ help at maintaining and -improving the project through their financial support. - -.. raw:: html - -
- .. |chanel| image:: images/chanel.png - :width: 55pt - :target: https://www.chanel.com + :target: https://www.chanel.com .. |axa| image:: images/axa.png - :width: 40pt - :target: https://www.axa.fr/ + :target: https://www.axa.fr/ .. |bnp| image:: images/bnp.png - :width: 120pt - :target: https://www.bnpparibascardif.com/ + :target: https://www.bnpparibascardif.com/ .. |dataiku| image:: images/dataiku.png - :width: 55pt - :target: https://www.dataiku.com/ + :target: https://www.dataiku.com/ .. |hf| image:: images/huggingface_logo-noborder.png - :width: 55pt - :target: https://huggingface.co + :target: https://huggingface.co .. |nvidia| image:: images/nvidia.png - :width: 55pt - :target: https://www.nvidia.com + :target: https://www.nvidia.com .. |inria| image:: images/inria-logo.jpg - :width: 75pt - :target: https://www.inria.fr - + :target: https://www.inria.fr .. raw:: html -
- -.. table:: - :class: sk-sponsor-table - - +----------+-----------+ - | |chanel| | - +----------+-----------+ - | | - +----------+-----------+ - | |axa| | |bnp| | - +----------+-----------+ - | | - +----------+-----------+ - | |nvidia| | |hf| | - +----------+-----------+ - | | - +----------+-----------+ - | |dataiku| | - +----------+-----------+ - | | - +----------+-----------+ - | |inria| | - +----------+-----------+ + -.......... +.. div:: sk-text-image-grid-small -.. raw:: html + .. div:: text-box -
-
- -`NVidia `_ funds Tim Head since 2022 -and is part of the scikit-learn consortium at Inria. - -.. raw:: html + The `Members `_ of + the `Scikit-learn Consortium at Inria Foundation + `_ help at maintaining and + improving the project through their financial support. -
+ .. div:: image-box -
+ .. table:: + :class: image-subtable -.. image:: images/nvidia.png - :width: 55pt - :align: center - :target: https://nvidia.com + +----------+-----------+ + | |chanel| | + +----------+-----------+ + | |axa| | |bnp| | + +----------+-----------+ + | |nvidia| | |hf| | + +----------+-----------+ + | |dataiku| | + +----------+-----------+ + | |inria| | + +----------+-----------+ -.. raw:: html +.......... -
-
+.. div:: sk-text-image-grid-small -.......... + .. div:: text-box -.. raw:: html + `NVidia `_ funds Tim Head since 2022 + and is part of the scikit-learn consortium at Inria. -
-
+ .. div:: image-box -`Microsoft `_ funds Andreas Müller since 2020. + .. image:: images/nvidia.png + :target: https://nvidia.com -.. raw:: html +.......... -
+.. div:: sk-text-image-grid-small -
+ .. div:: text-box -.. image:: images/microsoft.png - :width: 100pt - :align: center - :target: https://www.microsoft.com/ + `Microsoft `_ funds Andreas Müller since 2020. -.. raw:: html + .. div:: image-box -
-
+ .. image:: images/microsoft.png + :target: https://microsoft.com ........... -.. raw:: html +.. div:: sk-text-image-grid-small -
-
+ .. div:: text-box -`Quansight Labs `_ funds Lucy Liu since 2022. + `Quansight Labs `_ funds Lucy Liu since 2022. -.. raw:: html + .. div:: image-box -
+ .. image:: images/quansight-labs.png + :target: https://labs.quansight.org -
+........... -.. image:: images/quansight-labs.png - :width: 100pt - :align: center - :target: https://labs.quansight.org +.. div:: sk-text-image-grid-small -.. raw:: html + .. div:: text-box -
-
+ `Tidelift `_ supports the project via their service + agreement. -Past Sponsors -............. + .. div:: image-box -.. raw:: html + .. image:: images/Tidelift-logo-on-light.svg + :target: https://tidelift.com/ -
-
+........... -`Quansight Labs `_ funded Meekail Zain in 2022 and 2023 and, -funded Thomas J. Fan from 2021 to 2023. -.. raw:: html +Past Sponsors +............. -
+.. div:: sk-text-image-grid-small -
+ .. div:: text-box -.. image:: images/quansight-labs.png - :width: 100pt - :align: center - :target: https://labs.quansight.org + `Quansight Labs `_ funded Meekail Zain in 2022 and 2023, + and funded Thomas J. Fan from 2021 to 2023. -.. raw:: html + .. div:: image-box -
-
+ .. image:: images/quansight-labs.png + :target: https://labs.quansight.org ........... -.. raw:: html - -
-
- -`Columbia University `_ funded Andreas Müller -(2016-2020). +.. div:: sk-text-image-grid-small -.. raw:: html + .. div:: text-box -
+ `Columbia University `_ funded Andreas Müller + (2016-2020). -
+ .. div:: image-box -.. image:: images/columbia.png - :width: 50pt - :align: center - :target: https://www.columbia.edu/ - -.. raw:: html - -
-
+ .. image:: images/columbia.png + :target: https://columbia.edu ........ -.. raw:: html +.. div:: sk-text-image-grid-small -
-
+ .. div:: text-box -`The University of Sydney `_ funded Joel Nothman -(2017-2021). + `The University of Sydney `_ funded Joel Nothman + (2017-2021). -.. raw:: html + .. div:: image-box -
- -
- -.. image:: images/sydney-primary.jpeg - :width: 100pt - :align: center - :target: https://sydney.edu.au/ - -.. raw:: html - -
-
+ .. image:: images/sydney-primary.jpeg + :target: https://sydney.edu.au/ ........... -.. raw:: html - -
-
- -Andreas Müller received a grant to improve scikit-learn from the -`Alfred P. Sloan Foundation `_ . -This grant supported the position of Nicolas Hug and Thomas J. Fan. - -.. raw:: html - -
+.. div:: sk-text-image-grid-small -
+ .. div:: text-box -.. image:: images/sloan_banner.png - :width: 100pt - :align: center - :target: https://sloan.org/ + Andreas Müller received a grant to improve scikit-learn from the + `Alfred P. Sloan Foundation `_ . + This grant supported the position of Nicolas Hug and Thomas J. Fan. -.. raw:: html + .. div:: image-box -
-
+ .. image:: images/sloan_banner.png + :target: https://sloan.org/ ............. -.. raw:: html - -
-
- -`INRIA `_ actively supports this project. It has -provided funding for Fabian Pedregosa (2010-2012), Jaques Grobler -(2012-2013) and Olivier Grisel (2013-2017) to work on this project -full-time. It also hosts coding sprints and other events. +.. div:: sk-text-image-grid-small -.. raw:: html - -
+ .. div:: text-box -
+ `INRIA `_ actively supports this project. It has + provided funding for Fabian Pedregosa (2010-2012), Jaques Grobler + (2012-2013) and Olivier Grisel (2013-2017) to work on this project + full-time. It also hosts coding sprints and other events. -.. image:: images/inria-logo.jpg - :width: 100pt - :align: center - :target: https://www.inria.fr - -.. raw:: html + .. div:: image-box -
-
+ .. image:: images/inria-logo.jpg + :target: https://www.inria.fr ..................... -.. raw:: html - -
-
- -`Paris-Saclay Center for Data Science -`_ -funded one year for a developer to work on the project full-time -(2014-2015), 50% of the time of Guillaume Lemaitre (2016-2017) and 50% of the -time of Joris van den Bossche (2017-2018). - -.. raw:: html +.. div:: sk-text-image-grid-small -
-
+ .. div:: text-box -.. image:: images/cds-logo.png - :width: 100pt - :align: center - :target: http://www.datascience-paris-saclay.fr/ + `Paris-Saclay Center for Data Science `_ + funded one year for a developer to work on the project full-time (2014-2015), 50% + of the time of Guillaume Lemaitre (2016-2017) and 50% of the time of Joris van den + Bossche (2017-2018). -.. raw:: html + .. div:: image-box -
-
+ .. image:: images/cds-logo.png + :target: http://www.datascience-paris-saclay.fr/ .......................... -.. raw:: html +.. div:: sk-text-image-grid-small -
-
+ .. div:: text-box -`NYU Moore-Sloan Data Science Environment `_ -funded Andreas Mueller (2014-2016) to work on this project. The Moore-Sloan -Data Science Environment also funds several students to work on the project -part-time. + `NYU Moore-Sloan Data Science Environment `_ + funded Andreas Mueller (2014-2016) to work on this project. The Moore-Sloan + Data Science Environment also funds several students to work on the project + part-time. -.. raw:: html + .. div:: image-box -
-
- -.. image:: images/nyu_short_color.png - :width: 100pt - :align: center - :target: https://cds.nyu.edu/mooresloan/ - -.. raw:: html - -
-
+ .. image:: images/nyu_short_color.png + :target: https://cds.nyu.edu/mooresloan/ ........................ -.. raw:: html - -
-
+.. div:: sk-text-image-grid-small -`Télécom Paristech `_ funded Manoj Kumar -(2014), Tom Dupré la Tour (2015), Raghav RV (2015-2017), Thierry Guillemot -(2016-2017) and Albert Thomas (2017) to work on scikit-learn. + .. div:: text-box -.. raw:: html + `Télécom Paristech `_ funded Manoj Kumar + (2014), Tom Dupré la Tour (2015), Raghav RV (2015-2017), Thierry Guillemot + (2016-2017) and Albert Thomas (2017) to work on scikit-learn. -
-
+ .. div:: image-box -.. image:: images/telecom.png - :width: 50pt - :align: center - :target: https://www.telecom-paristech.fr/ - -.. raw:: html - -
-
+ .. image:: images/telecom.png + :target: https://www.telecom-paristech.fr/ ..................... -.. raw:: html - -
-
- -`The Labex DigiCosme `_ funded Nicolas Goix -(2015-2016), Tom Dupré la Tour (2015-2016 and 2017-2018), Mathurin Massias -(2018-2019) to work part time on scikit-learn during their PhDs. It also -funded a scikit-learn coding sprint in 2015. +.. div:: sk-text-image-grid-small -.. raw:: html + .. div:: text-box -
-
+ `The Labex DigiCosme `_ funded Nicolas Goix + (2015-2016), Tom Dupré la Tour (2015-2016 and 2017-2018), Mathurin Massias + (2018-2019) to work part time on scikit-learn during their PhDs. It also + funded a scikit-learn coding sprint in 2015. -.. image:: images/digicosme.png - :width: 100pt - :align: center - :target: https://digicosme.lri.fr + .. div:: image-box -.. raw:: html - -
-
+ .. image:: images/digicosme.png + :target: https://digicosme.lri.fr ..................... -.. raw:: html - -
-
+.. div:: sk-text-image-grid-small -`The Chan-Zuckerberg Initiative `_ funded Nicolas -Hug to work full-time on scikit-learn in 2020. + .. div:: text-box -.. raw:: html + `The Chan-Zuckerberg Initiative `_ funded Nicolas + Hug to work full-time on scikit-learn in 2020. -
-
- -.. image:: images/czi_logo.svg - :width: 100pt - :align: center - :target: https://chanzuckerberg.com - -.. raw:: html + .. div:: image-box -
-
+ .. image:: images/czi_logo.svg + :target: https://chanzuckerberg.com ...................... @@ -609,9 +467,9 @@ program. - 2007 - David Cournapeau - 2011 - `Vlad Niculae`_ -- 2012 - `Vlad Niculae`_, Immanuel Bayer. +- 2012 - `Vlad Niculae`_, Immanuel Bayer - 2013 - Kemal Eren, Nicolas Trésegnie -- 2014 - Hamzeh Alsalhi, Issam Laradji, Maheshakya Wijewardena, Manoj Kumar. +- 2014 - Hamzeh Alsalhi, Issam Laradji, Maheshakya Wijewardena, Manoj Kumar - 2015 - `Raghav RV `_, Wei Xue - 2016 - `Nelson Liu `_, `YenChen Lin `_ @@ -630,86 +488,112 @@ The following organizations funded the scikit-learn consortium at Inria in the past: .. |msn| image:: images/microsoft.png - :width: 100pt - :target: https://www.microsoft.com/ + :target: https://www.microsoft.com/ .. |bcg| image:: images/bcg.png - :width: 100pt - :target: https://www.bcg.com/beyond-consulting/bcg-gamma/default.aspx + :target: https://www.bcg.com/beyond-consulting/bcg-gamma/default.aspx .. |fujitsu| image:: images/fujitsu.png - :width: 100pt - :target: https://www.fujitsu.com/global/ + :target: https://www.fujitsu.com/global/ .. |aphp| image:: images/logo_APHP_text.png - :width: 150pt - :target: https://aphp.fr/ + :target: https://aphp.fr/ +.. raw:: html + + + +.. grid:: 2 2 4 4 + :class-row: image-subgrid + :gutter: 1 + + .. grid-item:: + :class: sd-text-center + :child-align: center + + |msn| + + .. grid-item:: + :class: sd-text-center + :child-align: center + + |bcg| + + .. grid-item:: + :class: sd-text-center + :child-align: center -|bcg| |msn| |fujitsu| |aphp| + |fujitsu| + + .. grid-item:: + :class: sd-text-center + :child-align: center + + |aphp| Sprints ------- -The International 2019 Paris sprint was kindly hosted by `AXA `_. -Also some participants could attend thanks to the support of the `Alfred P. -Sloan Foundation `_, the `Python Software -Foundation `_ (PSF) and the `DATAIA Institute -`_. - -..................... +- The International 2019 Paris sprint was kindly hosted by `AXA `_. + Also some participants could attend thanks to the support of the `Alfred P. + Sloan Foundation `_, the `Python Software + Foundation `_ (PSF) and the `DATAIA Institute + `_. -The 2013 International Paris Sprint was made possible thanks to the support of -`Télécom Paristech `_, `tinyclues -`_, the `French Python Association -`_ and the `Fonds de la Recherche Scientifique -`_. +- The 2013 International Paris Sprint was made possible thanks to the support of + `Télécom Paristech `_, `tinyclues + `_, the `French Python Association + `_ and the `Fonds de la Recherche Scientifique + `_. -.............. +- The 2011 International Granada sprint was made possible thanks to the support + of the `PSF `_ and `tinyclues + `_. -The 2011 International Granada sprint was made possible thanks to the support -of the `PSF `_ and `tinyclues -`_. Donating to the project -....................... +----------------------- If you are interested in donating to the project or to one of our code-sprints, please donate via the `NumFOCUS Donations Page `_. -.. raw :: html - - -
+.. raw:: html -All donations will be handled by `NumFOCUS -`_, a non-profit-organization which is -managed by a board of `Scipy community members -`_. NumFOCUS's mission is to foster -scientific computing software, in particular in Python. As a fiscal home -of scikit-learn, it ensures that money is available when needed to keep -the project funded and available while in compliance with tax regulations. +

+ + Help us, donate! + +

-The received donations for the scikit-learn project mostly will go towards -covering travel-expenses for code sprints, as well as towards the organization -budget of the project [#f1]_. +All donations will be handled by `NumFOCUS `_, a non-profit +organization which is managed by a board of `Scipy community members +`_. NumFOCUS's mission is to foster scientific +computing software, in particular in Python. As a fiscal home of scikit-learn, it +ensures that money is available when needed to keep the project funded and available +while in compliance with tax regulations. +The received donations for the scikit-learn project mostly will go towards covering +travel-expenses for code sprints, as well as towards the organization budget of the +project [#f1]_. .. rubric:: Notes .. [#f1] Regarding the organization budget, in particular, we might use some of - the donated funds to pay for other project expenses such as DNS, - hosting or continuous integration services. + the donated funds to pay for other project expenses such as DNS, + hosting or continuous integration services. + Infrastructure support ---------------------- -- We would also like to thank `Microsoft Azure - `_, `Cirrus Cl `_, - `CircleCl `_ for free CPU time on their Continuous - Integration servers, and `Anaconda Inc. `_ for the - storage they provide for our staging and nightly builds. +We would also like to thank `Microsoft Azure `_, +`Cirrus Cl `_, `CircleCl `_ for free CPU +time on their Continuous Integration servers, and `Anaconda Inc. `_ +for the storage they provide for our staging and nightly builds. diff --git a/doc/api/deprecated.rst.template b/doc/api/deprecated.rst.template new file mode 100644 index 0000000000000..a48f0180f76ed --- /dev/null +++ b/doc/api/deprecated.rst.template @@ -0,0 +1,24 @@ +:html_theme.sidebar_secondary.remove: + +.. _api_depr_ref: + +Recently Deprecated +=================== + +.. currentmodule:: sklearn + +{% for ver, objs in DEPRECATED_API_REFERENCE %} +.. _api_depr_ref-{{ ver|replace(".", "-") }}: + +.. rubric:: To be removed in {{ ver }} + +.. autosummary:: + :nosignatures: + :toctree: ../modules/generated/ + :template: base.rst + +{% for obj in objs %} + {{ obj }} +{%- endfor %} + +{% endfor %} diff --git a/doc/api/index.rst.template b/doc/api/index.rst.template new file mode 100644 index 0000000000000..a9f3209d350de --- /dev/null +++ b/doc/api/index.rst.template @@ -0,0 +1,77 @@ +:html_theme.sidebar_secondary.remove: + +.. _api_ref: + +============= +API Reference +============= + +This is the class and function reference of scikit-learn. Please refer to the +:ref:`full user guide ` for further details, as the raw specifications of +classes and functions may not be enough to give full guidelines on their uses. For +reference on concepts repeated across the API, see :ref:`glossary`. + +.. toctree:: + :maxdepth: 2 + :hidden: + +{% for module, _ in API_REFERENCE %} + {{ module }} +{%- endfor %} +{%- if DEPRECATED_API_REFERENCE %} + deprecated +{%- endif %} + +.. list-table:: + :header-rows: 1 + :class: apisearch-table + + * - Object + - Description + +{% for module, module_info in API_REFERENCE %} +{% for section in module_info["sections"] %} +{% for obj in section["autosummary"] %} +{% set parts = obj.rsplit(".", 1) %} +{% if parts|length > 1 %} +{% set full_module = module + "." + parts[0] %} +{% else %} +{% set full_module = module %} +{% endif %} + * - :obj:`~{{ module }}.{{ obj }}` + + - .. div:: sk-apisearch-desc + + .. currentmodule:: {{ full_module }} + + .. autoshortsummary:: {{ module }}.{{ obj }} + + .. div:: caption + + :mod:`{{ full_module }}` +{% endfor %} +{% endfor %} +{% endfor %} + +{% for ver, objs in DEPRECATED_API_REFERENCE %} +{% for obj in objs %} +{% set parts = obj.rsplit(".", 1) %} +{% if parts|length > 1 %} +{% set full_module = "sklearn." + parts[0] %} +{% else %} +{% set full_module = "sklearn" %} +{% endif %} + * - :obj:`~sklearn.{{ obj }}` + + - .. div:: sk-apisearch-desc + + .. currentmodule:: {{ full_module }} + + .. autoshortsummary:: sklearn.{{ obj }} + + .. div:: caption + + :mod:`{{ full_module }}` + :bdg-ref-danger-line:`Deprecated in version {{ ver }} ` +{% endfor %} +{% endfor %} diff --git a/doc/api/module.rst.template b/doc/api/module.rst.template new file mode 100644 index 0000000000000..1980f27aad158 --- /dev/null +++ b/doc/api/module.rst.template @@ -0,0 +1,46 @@ +:html_theme.sidebar_secondary.remove: + +{% if module == "sklearn" -%} +{%- set module_hook = "sklearn" -%} +{%- elif module.startswith("sklearn.") -%} +{%- set module_hook = module[8:] -%} +{%- else -%} +{%- set module_hook = None -%} +{%- endif -%} + +{% if module_hook %} +.. _{{ module_hook }}_ref: +{% endif %} + +{{ module }} +{{ "=" * module|length }} + +.. automodule:: {{ module }} + +{% if module_info["description"] %} +{{ module_info["description"] }} +{% endif %} + +{% for section in module_info["sections"] %} +{% if section["title"] and module_hook %} +.. _{{ module_hook }}_ref-{{ section["title"]|lower|replace(" ", "-") }}: +{% endif %} + +{% if section["title"] %} +{{ section["title"] }} +{{ "-" * section["title"]|length }} +{% endif %} + +{% if section["description"] %} +{{ section["description"] }} +{% endif %} + +.. autosummary:: + :nosignatures: + :toctree: ../modules/generated/ + :template: base.rst + +{% for obj in section["autosummary"] %} + {{ obj }} +{%- endfor %} +{% endfor %} diff --git a/doc/api_reference.py b/doc/api_reference.py new file mode 100644 index 0000000000000..39eac12c1c6cf --- /dev/null +++ b/doc/api_reference.py @@ -0,0 +1,1335 @@ +"""Configuration for the API reference documentation.""" + + +def _get_guide(*refs, is_developer=False): + """Get the rst to refer to user/developer guide. + + `refs` is several references that can be used in the :ref:`...` directive. + """ + if len(refs) == 1: + ref_desc = f":ref:`{refs[0]}` section" + elif len(refs) == 2: + ref_desc = f":ref:`{refs[0]}` and :ref:`{refs[1]}` sections" + else: + ref_desc = ", ".join(f":ref:`{ref}`" for ref in refs[:-1]) + ref_desc += f", and :ref:`{refs[-1]}` sections" + + guide_name = "Developer" if is_developer else "User" + return f"**{guide_name} guide.** See the {ref_desc} for further details." + + +def _get_submodule(module_name, submodule_name): + """Get the submodule docstring and automatically add the hook. + + `module_name` is e.g. `sklearn.feature_extraction`, and `submodule_name` is e.g. + `image`, so we get the docstring and hook for `sklearn.feature_extraction.image` + submodule. `module_name` is used to reset the current module because autosummary + automatically changes the current module. + """ + lines = [ + f".. automodule:: {module_name}.{submodule_name}", + f".. currentmodule:: {module_name}", + ] + return "\n\n".join(lines) + + +""" +CONFIGURING API_REFERENCE +========================= + +API_REFERENCE maps each module name to a dictionary that consists of the following +components: + +short_summary (required) + The text to be printed on the index page; it has nothing to do the API reference + page of each module. +description (required, `None` if not needed) + The additional description for the module to be placed under the module + docstring, before the sections start. +sections (required) + A list of sections, each of which consists of: + - title (required, `None` if not needed): the section title, commonly it should + not be `None` except for the first section of a module, + - description (optional): the optional additional description for the section, + - autosummary (required): an autosummary block, assuming current module is the + current module name. + +Essentially, the rendered page would look like the following: + +|---------------------------------------------------------------------------------| +| {{ module_name }} | +| ================= | +| {{ module_docstring }} | +| {{ description }} | +| | +| {{ section_title_1 }} <-------------- Optional if one wants the first | +| --------------------- section to directly follow | +| {{ section_description_1 }} without a second-level heading. | +| {{ section_autosummary_1 }} | +| | +| {{ section_title_2 }} | +| --------------------- | +| {{ section_description_2 }} | +| {{ section_autosummary_2 }} | +| | +| More sections... | +|---------------------------------------------------------------------------------| + +Hooks will be automatically generated for each module and each section. For a module, +e.g., `sklearn.feature_extraction`, the hook would be `feature_extraction_ref`; for a +section, e.g., "From text" under `sklearn.feature_extraction`, the hook would be +`feature_extraction_ref-from-text`. However, note that a better way is to refer using +the :mod: directive, e.g., :mod:`sklearn.feature_extraction` for the module and +:mod:`sklearn.feature_extraction.text` for the section. Only in case that a section +is not a particular submodule does the hook become useful, e.g., the "Loaders" section +under `sklearn.datasets`. +""" + +API_REFERENCE = { + "sklearn": { + "short_summary": "Settings and information tools.", + "description": None, + "sections": [ + { + "title": None, + "autosummary": [ + "config_context", + "get_config", + "set_config", + "show_versions", + ], + }, + ], + }, + "sklearn.base": { + "short_summary": "Base classes and utility functions.", + "description": None, + "sections": [ + { + "title": None, + "autosummary": [ + "BaseEstimator", + "BiclusterMixin", + "ClassNamePrefixFeaturesOutMixin", + "ClassifierMixin", + "ClusterMixin", + "DensityMixin", + "MetaEstimatorMixin", + "OneToOneFeatureMixin", + "OutlierMixin", + "RegressorMixin", + "TransformerMixin", + "clone", + "is_classifier", + "is_clusterer", + "is_regressor", + ], + } + ], + }, + "sklearn.calibration": { + "short_summary": "Probability calibration.", + "description": _get_guide("calibration"), + "sections": [ + { + "title": None, + "autosummary": ["CalibratedClassifierCV", "calibration_curve"], + }, + { + "title": "Visualization", + "autosummary": ["CalibrationDisplay"], + }, + ], + }, + "sklearn.cluster": { + "short_summary": "Clustering.", + "description": _get_guide("clustering", "biclustering"), + "sections": [ + { + "title": None, + "autosummary": [ + "AffinityPropagation", + "AgglomerativeClustering", + "Birch", + "BisectingKMeans", + "DBSCAN", + "FeatureAgglomeration", + "HDBSCAN", + "KMeans", + "MeanShift", + "MiniBatchKMeans", + "OPTICS", + "SpectralBiclustering", + "SpectralClustering", + "SpectralCoclustering", + "affinity_propagation", + "cluster_optics_dbscan", + "cluster_optics_xi", + "compute_optics_graph", + "dbscan", + "estimate_bandwidth", + "k_means", + "kmeans_plusplus", + "mean_shift", + "spectral_clustering", + "ward_tree", + ], + }, + ], + }, + "sklearn.compose": { + "short_summary": "Composite estimators.", + "description": _get_guide("combining_estimators"), + "sections": [ + { + "title": None, + "autosummary": [ + "ColumnTransformer", + "TransformedTargetRegressor", + "make_column_selector", + "make_column_transformer", + ], + }, + ], + }, + "sklearn.covariance": { + "short_summary": "Covariance estimation.", + "description": _get_guide("covariance"), + "sections": [ + { + "title": None, + "autosummary": [ + "EllipticEnvelope", + "EmpiricalCovariance", + "GraphicalLasso", + "GraphicalLassoCV", + "LedoitWolf", + "MinCovDet", + "OAS", + "ShrunkCovariance", + "empirical_covariance", + "graphical_lasso", + "ledoit_wolf", + "ledoit_wolf_shrinkage", + "oas", + "shrunk_covariance", + ], + }, + ], + }, + "sklearn.cross_decomposition": { + "short_summary": "Cross decomposition.", + "description": _get_guide("cross_decomposition"), + "sections": [ + { + "title": None, + "autosummary": ["CCA", "PLSCanonical", "PLSRegression", "PLSSVD"], + }, + ], + }, + "sklearn.datasets": { + "short_summary": "Datasets.", + "description": _get_guide("datasets"), + "sections": [ + { + "title": "Loaders", + "autosummary": [ + "clear_data_home", + "dump_svmlight_file", + "fetch_20newsgroups", + "fetch_20newsgroups_vectorized", + "fetch_california_housing", + "fetch_covtype", + "fetch_kddcup99", + "fetch_lfw_pairs", + "fetch_lfw_people", + "fetch_olivetti_faces", + "fetch_openml", + "fetch_rcv1", + "fetch_species_distributions", + "get_data_home", + "load_breast_cancer", + "load_diabetes", + "load_digits", + "load_files", + "load_iris", + "load_linnerud", + "load_sample_image", + "load_sample_images", + "load_svmlight_file", + "load_svmlight_files", + "load_wine", + ], + }, + { + "title": "Sample generators", + "autosummary": [ + "make_biclusters", + "make_blobs", + "make_checkerboard", + "make_circles", + "make_classification", + "make_friedman1", + "make_friedman2", + "make_friedman3", + "make_gaussian_quantiles", + "make_hastie_10_2", + "make_low_rank_matrix", + "make_moons", + "make_multilabel_classification", + "make_regression", + "make_s_curve", + "make_sparse_coded_signal", + "make_sparse_spd_matrix", + "make_sparse_uncorrelated", + "make_spd_matrix", + "make_swiss_roll", + ], + }, + ], + }, + "sklearn.decomposition": { + "short_summary": "Matrix decomposition.", + "description": _get_guide("decompositions"), + "sections": [ + { + "title": None, + "autosummary": [ + "DictionaryLearning", + "FactorAnalysis", + "FastICA", + "IncrementalPCA", + "KernelPCA", + "LatentDirichletAllocation", + "MiniBatchDictionaryLearning", + "MiniBatchNMF", + "MiniBatchSparsePCA", + "NMF", + "PCA", + "SparseCoder", + "SparsePCA", + "TruncatedSVD", + "dict_learning", + "dict_learning_online", + "fastica", + "non_negative_factorization", + "sparse_encode", + ], + }, + ], + }, + "sklearn.discriminant_analysis": { + "short_summary": "Discriminant analysis.", + "description": _get_guide("lda_qda"), + "sections": [ + { + "title": None, + "autosummary": [ + "LinearDiscriminantAnalysis", + "QuadraticDiscriminantAnalysis", + ], + }, + ], + }, + "sklearn.dummy": { + "short_summary": "Dummy estimators.", + "description": _get_guide("model_evaluation"), + "sections": [ + { + "title": None, + "autosummary": ["DummyClassifier", "DummyRegressor"], + }, + ], + }, + "sklearn.ensemble": { + "short_summary": "Ensemble methods.", + "description": _get_guide("ensemble"), + "sections": [ + { + "title": None, + "autosummary": [ + "AdaBoostClassifier", + "AdaBoostRegressor", + "BaggingClassifier", + "BaggingRegressor", + "ExtraTreesClassifier", + "ExtraTreesRegressor", + "GradientBoostingClassifier", + "GradientBoostingRegressor", + "HistGradientBoostingClassifier", + "HistGradientBoostingRegressor", + "IsolationForest", + "RandomForestClassifier", + "RandomForestRegressor", + "RandomTreesEmbedding", + "StackingClassifier", + "StackingRegressor", + "VotingClassifier", + "VotingRegressor", + ], + }, + ], + }, + "sklearn.exceptions": { + "short_summary": "Exceptions and warnings.", + "description": None, + "sections": [ + { + "title": None, + "autosummary": [ + "ConvergenceWarning", + "DataConversionWarning", + "DataDimensionalityWarning", + "EfficiencyWarning", + "FitFailedWarning", + "InconsistentVersionWarning", + "NotFittedError", + "UndefinedMetricWarning", + ], + }, + ], + }, + "sklearn.experimental": { + "short_summary": "Experimental tools.", + "description": None, + "sections": [ + { + "title": None, + "autosummary": ["enable_halving_search_cv", "enable_iterative_imputer"], + }, + ], + }, + "sklearn.feature_extraction": { + "short_summary": "Feature extraction.", + "description": _get_guide("feature_extraction"), + "sections": [ + { + "title": None, + "autosummary": ["DictVectorizer", "FeatureHasher"], + }, + { + "title": "From images", + "description": _get_submodule("sklearn.feature_extraction", "image"), + "autosummary": [ + "image.PatchExtractor", + "image.extract_patches_2d", + "image.grid_to_graph", + "image.img_to_graph", + "image.reconstruct_from_patches_2d", + ], + }, + { + "title": "From text", + "description": _get_submodule("sklearn.feature_extraction", "text"), + "autosummary": [ + "text.CountVectorizer", + "text.HashingVectorizer", + "text.TfidfTransformer", + "text.TfidfVectorizer", + ], + }, + ], + }, + "sklearn.feature_selection": { + "short_summary": "Feature selection.", + "description": _get_guide("feature_selection"), + "sections": [ + { + "title": None, + "autosummary": [ + "GenericUnivariateSelect", + "RFE", + "RFECV", + "SelectFdr", + "SelectFpr", + "SelectFromModel", + "SelectFwe", + "SelectKBest", + "SelectPercentile", + "SelectorMixin", + "SequentialFeatureSelector", + "VarianceThreshold", + "chi2", + "f_classif", + "f_regression", + "mutual_info_classif", + "mutual_info_regression", + "r_regression", + ], + }, + ], + }, + "sklearn.gaussian_process": { + "short_summary": "Gaussian processes.", + "description": _get_guide("gaussian_process"), + "sections": [ + { + "title": None, + "autosummary": [ + "GaussianProcessClassifier", + "GaussianProcessRegressor", + ], + }, + { + "title": "Kernels", + "description": _get_submodule("sklearn.gaussian_process", "kernels"), + "autosummary": [ + "kernels.CompoundKernel", + "kernels.ConstantKernel", + "kernels.DotProduct", + "kernels.ExpSineSquared", + "kernels.Exponentiation", + "kernels.Hyperparameter", + "kernels.Kernel", + "kernels.Matern", + "kernels.PairwiseKernel", + "kernels.Product", + "kernels.RBF", + "kernels.RationalQuadratic", + "kernels.Sum", + "kernels.WhiteKernel", + ], + }, + ], + }, + "sklearn.impute": { + "short_summary": "Imputation.", + "description": _get_guide("impute"), + "sections": [ + { + "title": None, + "autosummary": [ + "IterativeImputer", + "KNNImputer", + "MissingIndicator", + "SimpleImputer", + ], + }, + ], + }, + "sklearn.inspection": { + "short_summary": "Inspection.", + "description": _get_guide("inspection"), + "sections": [ + { + "title": None, + "autosummary": ["partial_dependence", "permutation_importance"], + }, + { + "title": "Plotting", + "autosummary": ["DecisionBoundaryDisplay", "PartialDependenceDisplay"], + }, + ], + }, + "sklearn.isotonic": { + "short_summary": "Isotonic regression.", + "description": _get_guide("isotonic"), + "sections": [ + { + "title": None, + "autosummary": [ + "IsotonicRegression", + "check_increasing", + "isotonic_regression", + ], + }, + ], + }, + "sklearn.kernel_approximation": { + "short_summary": "Isotonic regression.", + "description": _get_guide("kernel_approximation"), + "sections": [ + { + "title": None, + "autosummary": [ + "AdditiveChi2Sampler", + "Nystroem", + "PolynomialCountSketch", + "RBFSampler", + "SkewedChi2Sampler", + ], + }, + ], + }, + "sklearn.kernel_ridge": { + "short_summary": "Kernel ridge regression.", + "description": _get_guide("kernel_ridge"), + "sections": [ + { + "title": None, + "autosummary": ["KernelRidge"], + }, + ], + }, + "sklearn.linear_model": { + "short_summary": "Generalized linear models.", + "description": ( + _get_guide("linear_model") + + "\n\nThe following subsections are only rough guidelines: the same " + "estimator can fall into multiple categories, depending on its parameters." + ), + "sections": [ + { + "title": "Linear classifiers", + "autosummary": [ + "LogisticRegression", + "LogisticRegressionCV", + "PassiveAggressiveClassifier", + "Perceptron", + "RidgeClassifier", + "RidgeClassifierCV", + "SGDClassifier", + "SGDOneClassSVM", + ], + }, + { + "title": "Classical linear regressors", + "autosummary": ["LinearRegression", "Ridge", "RidgeCV", "SGDRegressor"], + }, + { + "title": "Regressors with variable selection", + "description": ( + "The following estimators have built-in variable selection fitting " + "procedures, but any estimator using a L1 or elastic-net penalty " + "also performs variable selection: typically " + ":class:`~linear_model.SGDRegressor` or " + ":class:`~sklearn.linear_model.SGDClassifier` with an appropriate " + "penalty." + ), + "autosummary": [ + "ElasticNet", + "ElasticNetCV", + "Lars", + "LarsCV", + "Lasso", + "LassoCV", + "LassoLars", + "LassoLarsCV", + "LassoLarsIC", + "OrthogonalMatchingPursuit", + "OrthogonalMatchingPursuitCV", + ], + }, + { + "title": "Bayesian regressors", + "autosummary": ["ARDRegression", "BayesianRidge"], + }, + { + "title": "Multi-task linear regressors with variable selection", + "description": ( + "These estimators fit multiple regression problems (or tasks)" + " jointly, while inducing sparse coefficients. While the inferred" + " coefficients may differ between the tasks, they are constrained" + " to agree on the features that are selected (non-zero" + " coefficients)." + ), + "autosummary": [ + "MultiTaskElasticNet", + "MultiTaskElasticNetCV", + "MultiTaskLasso", + "MultiTaskLassoCV", + ], + }, + { + "title": "Outlier-robust regressors", + "description": ( + "Any estimator using the Huber loss would also be robust to " + "outliers, e.g., :class:`~linear_model.SGDRegressor` with " + "``loss='huber'``." + ), + "autosummary": [ + "HuberRegressor", + "QuantileRegressor", + "RANSACRegressor", + "TheilSenRegressor", + ], + }, + { + "title": "Generalized linear models (GLM) for regression", + "description": ( + "These models allow for response variables to have error " + "distributions other than a normal distribution." + ), + "autosummary": [ + "GammaRegressor", + "PoissonRegressor", + "TweedieRegressor", + ], + }, + { + "title": "Miscellaneous", + "autosummary": [ + "PassiveAggressiveRegressor", + "enet_path", + "lars_path", + "lars_path_gram", + "lasso_path", + "orthogonal_mp", + "orthogonal_mp_gram", + "ridge_regression", + ], + }, + ], + }, + "sklearn.manifold": { + "short_summary": "Manifold learning.", + "description": _get_guide("manifold"), + "sections": [ + { + "title": None, + "autosummary": [ + "Isomap", + "LocallyLinearEmbedding", + "MDS", + "SpectralEmbedding", + "TSNE", + "locally_linear_embedding", + "smacof", + "spectral_embedding", + "trustworthiness", + ], + }, + ], + }, + "sklearn.metrics": { + "short_summary": "Metrics.", + "description": _get_guide("model_evaluation", "metrics"), + "sections": [ + { + "title": "Model selection interface", + "description": _get_guide("scoring_parameter"), + "autosummary": [ + "check_scoring", + "get_scorer", + "get_scorer_names", + "make_scorer", + ], + }, + { + "title": "Classification metrics", + "description": _get_guide("classification_metrics"), + "autosummary": [ + "accuracy_score", + "auc", + "average_precision_score", + "balanced_accuracy_score", + "brier_score_loss", + "class_likelihood_ratios", + "classification_report", + "cohen_kappa_score", + "confusion_matrix", + "d2_log_loss_score", + "dcg_score", + "det_curve", + "f1_score", + "fbeta_score", + "hamming_loss", + "hinge_loss", + "jaccard_score", + "log_loss", + "matthews_corrcoef", + "multilabel_confusion_matrix", + "ndcg_score", + "precision_recall_curve", + "precision_recall_fscore_support", + "precision_score", + "recall_score", + "roc_auc_score", + "roc_curve", + "top_k_accuracy_score", + "zero_one_loss", + ], + }, + { + "title": "Regression metrics", + "description": _get_guide("regression_metrics"), + "autosummary": [ + "d2_absolute_error_score", + "d2_pinball_score", + "d2_tweedie_score", + "explained_variance_score", + "max_error", + "mean_absolute_error", + "mean_absolute_percentage_error", + "mean_gamma_deviance", + "mean_pinball_loss", + "mean_poisson_deviance", + "mean_squared_error", + "mean_squared_log_error", + "mean_tweedie_deviance", + "median_absolute_error", + "r2_score", + "root_mean_squared_error", + "root_mean_squared_log_error", + ], + }, + { + "title": "Multilabel ranking metrics", + "description": _get_guide("multilabel_ranking_metrics"), + "autosummary": [ + "coverage_error", + "label_ranking_average_precision_score", + "label_ranking_loss", + ], + }, + { + "title": "Clustering metrics", + "description": ( + _get_submodule("sklearn.metrics", "cluster") + + "\n\n" + + _get_guide("clustering_evaluation") + ), + "autosummary": [ + "adjusted_mutual_info_score", + "adjusted_rand_score", + "calinski_harabasz_score", + "cluster.contingency_matrix", + "cluster.pair_confusion_matrix", + "completeness_score", + "davies_bouldin_score", + "fowlkes_mallows_score", + "homogeneity_completeness_v_measure", + "homogeneity_score", + "mutual_info_score", + "normalized_mutual_info_score", + "rand_score", + "silhouette_samples", + "silhouette_score", + "v_measure_score", + ], + }, + { + "title": "Biclustering metrics", + "description": _get_guide("biclustering_evaluation"), + "autosummary": ["consensus_score"], + }, + { + "title": "Distance metrics", + "autosummary": ["DistanceMetric"], + }, + { + "title": "Pairwise metrics", + "description": ( + _get_submodule("sklearn.metrics", "pairwise") + + "\n\n" + + _get_guide("metrics") + ), + "autosummary": [ + "pairwise.additive_chi2_kernel", + "pairwise.chi2_kernel", + "pairwise.cosine_distances", + "pairwise.cosine_similarity", + "pairwise.distance_metrics", + "pairwise.euclidean_distances", + "pairwise.haversine_distances", + "pairwise.kernel_metrics", + "pairwise.laplacian_kernel", + "pairwise.linear_kernel", + "pairwise.manhattan_distances", + "pairwise.nan_euclidean_distances", + "pairwise.paired_cosine_distances", + "pairwise.paired_distances", + "pairwise.paired_euclidean_distances", + "pairwise.paired_manhattan_distances", + "pairwise.pairwise_kernels", + "pairwise.polynomial_kernel", + "pairwise.rbf_kernel", + "pairwise.sigmoid_kernel", + "pairwise_distances", + "pairwise_distances_argmin", + "pairwise_distances_argmin_min", + "pairwise_distances_chunked", + ], + }, + { + "title": "Plotting", + "description": _get_guide("visualizations"), + "autosummary": [ + "ConfusionMatrixDisplay", + "DetCurveDisplay", + "PrecisionRecallDisplay", + "PredictionErrorDisplay", + "RocCurveDisplay", + ], + }, + ], + }, + "sklearn.mixture": { + "short_summary": "Gaussian mixture models.", + "description": _get_guide("mixture"), + "sections": [ + { + "title": None, + "autosummary": ["BayesianGaussianMixture", "GaussianMixture"], + }, + ], + }, + "sklearn.model_selection": { + "short_summary": "Model selection.", + "description": _get_guide("cross_validation", "grid_search", "learning_curve"), + "sections": [ + { + "title": "Splitters", + "autosummary": [ + "GroupKFold", + "GroupShuffleSplit", + "KFold", + "LeaveOneGroupOut", + "LeaveOneOut", + "LeavePGroupsOut", + "LeavePOut", + "PredefinedSplit", + "RepeatedKFold", + "RepeatedStratifiedKFold", + "ShuffleSplit", + "StratifiedGroupKFold", + "StratifiedKFold", + "StratifiedShuffleSplit", + "TimeSeriesSplit", + "check_cv", + "train_test_split", + ], + }, + { + "title": "Hyper-parameter optimizers", + "autosummary": [ + "GridSearchCV", + "HalvingGridSearchCV", + "HalvingRandomSearchCV", + "ParameterGrid", + "ParameterSampler", + "RandomizedSearchCV", + ], + }, + { + "title": "Post-fit model tuning", + "autosummary": [ + "FixedThresholdClassifier", + "TunedThresholdClassifierCV", + ], + }, + { + "title": "Model validation", + "autosummary": [ + "cross_val_predict", + "cross_val_score", + "cross_validate", + "learning_curve", + "permutation_test_score", + "validation_curve", + ], + }, + { + "title": "Visualization", + "autosummary": ["LearningCurveDisplay", "ValidationCurveDisplay"], + }, + ], + }, + "sklearn.multiclass": { + "short_summary": "Multiclass classification.", + "description": _get_guide("multiclass_classification"), + "sections": [ + { + "title": None, + "autosummary": [ + "OneVsOneClassifier", + "OneVsRestClassifier", + "OutputCodeClassifier", + ], + }, + ], + }, + "sklearn.multioutput": { + "short_summary": "Multioutput regression and classification.", + "description": _get_guide( + "multilabel_classification", + "multiclass_multioutput_classification", + "multioutput_regression", + ), + "sections": [ + { + "title": None, + "autosummary": [ + "ClassifierChain", + "MultiOutputClassifier", + "MultiOutputRegressor", + "RegressorChain", + ], + }, + ], + }, + "sklearn.naive_bayes": { + "short_summary": "Naive Bayes.", + "description": _get_guide("naive_bayes"), + "sections": [ + { + "title": None, + "autosummary": [ + "BernoulliNB", + "CategoricalNB", + "ComplementNB", + "GaussianNB", + "MultinomialNB", + ], + }, + ], + }, + "sklearn.neighbors": { + "short_summary": "Nearest neighbors.", + "description": _get_guide("neighbors"), + "sections": [ + { + "title": None, + "autosummary": [ + "BallTree", + "KDTree", + "KNeighborsClassifier", + "KNeighborsRegressor", + "KNeighborsTransformer", + "KernelDensity", + "LocalOutlierFactor", + "NearestCentroid", + "NearestNeighbors", + "NeighborhoodComponentsAnalysis", + "RadiusNeighborsClassifier", + "RadiusNeighborsRegressor", + "RadiusNeighborsTransformer", + "kneighbors_graph", + "radius_neighbors_graph", + "sort_graph_by_row_values", + ], + }, + ], + }, + "sklearn.neural_network": { + "short_summary": "Neural network models.", + "description": _get_guide( + "neural_networks_supervised", "neural_networks_unsupervised" + ), + "sections": [ + { + "title": None, + "autosummary": ["BernoulliRBM", "MLPClassifier", "MLPRegressor"], + }, + ], + }, + "sklearn.pipeline": { + "short_summary": "Pipeline.", + "description": _get_guide("combining_estimators"), + "sections": [ + { + "title": None, + "autosummary": [ + "FeatureUnion", + "Pipeline", + "make_pipeline", + "make_union", + ], + }, + ], + }, + "sklearn.preprocessing": { + "short_summary": "Preprocessing and normalization.", + "description": _get_guide("preprocessing"), + "sections": [ + { + "title": None, + "autosummary": [ + "Binarizer", + "FunctionTransformer", + "KBinsDiscretizer", + "KernelCenterer", + "LabelBinarizer", + "LabelEncoder", + "MaxAbsScaler", + "MinMaxScaler", + "MultiLabelBinarizer", + "Normalizer", + "OneHotEncoder", + "OrdinalEncoder", + "PolynomialFeatures", + "PowerTransformer", + "QuantileTransformer", + "RobustScaler", + "SplineTransformer", + "StandardScaler", + "TargetEncoder", + "add_dummy_feature", + "binarize", + "label_binarize", + "maxabs_scale", + "minmax_scale", + "normalize", + "power_transform", + "quantile_transform", + "robust_scale", + "scale", + ], + }, + ], + }, + "sklearn.random_projection": { + "short_summary": "Random projection.", + "description": _get_guide("random_projection"), + "sections": [ + { + "title": None, + "autosummary": [ + "GaussianRandomProjection", + "SparseRandomProjection", + "johnson_lindenstrauss_min_dim", + ], + }, + ], + }, + "sklearn.semi_supervised": { + "short_summary": "Semi-supervised learning.", + "description": _get_guide("semi_supervised"), + "sections": [ + { + "title": None, + "autosummary": [ + "LabelPropagation", + "LabelSpreading", + "SelfTrainingClassifier", + ], + }, + ], + }, + "sklearn.svm": { + "short_summary": "Support vector machines.", + "description": _get_guide("svm"), + "sections": [ + { + "title": None, + "autosummary": [ + "LinearSVC", + "LinearSVR", + "NuSVC", + "NuSVR", + "OneClassSVM", + "SVC", + "SVR", + "l1_min_c", + ], + }, + ], + }, + "sklearn.tree": { + "short_summary": "Decision trees.", + "description": _get_guide("tree"), + "sections": [ + { + "title": None, + "autosummary": [ + "DecisionTreeClassifier", + "DecisionTreeRegressor", + "ExtraTreeClassifier", + "ExtraTreeRegressor", + ], + }, + { + "title": "Exporting", + "autosummary": ["export_graphviz", "export_text"], + }, + { + "title": "Plotting", + "autosummary": ["plot_tree"], + }, + ], + }, + "sklearn.utils": { + "short_summary": "Utilities.", + "description": _get_guide("developers-utils", is_developer=True), + "sections": [ + { + "title": None, + "autosummary": [ + "Bunch", + "_safe_indexing", + "as_float_array", + "assert_all_finite", + "deprecated", + "estimator_html_repr", + "gen_batches", + "gen_even_slices", + "indexable", + "murmurhash3_32", + "resample", + "safe_mask", + "safe_sqr", + "shuffle", + ], + }, + { + "title": "Input and parameter validation", + "description": _get_submodule("sklearn.utils", "validation"), + "autosummary": [ + "check_X_y", + "check_array", + "check_consistent_length", + "check_random_state", + "check_scalar", + "validation.check_is_fitted", + "validation.check_memory", + "validation.check_symmetric", + "validation.column_or_1d", + "validation.has_fit_parameter", + ], + }, + { + "title": "Meta-estimators", + "description": _get_submodule("sklearn.utils", "metaestimators"), + "autosummary": ["metaestimators.available_if"], + }, + { + "title": "Weight handling based on class labels", + "description": _get_submodule("sklearn.utils", "class_weight"), + "autosummary": [ + "class_weight.compute_class_weight", + "class_weight.compute_sample_weight", + ], + }, + { + "title": "Dealing with multiclass target in classifiers", + "description": _get_submodule("sklearn.utils", "multiclass"), + "autosummary": [ + "multiclass.is_multilabel", + "multiclass.type_of_target", + "multiclass.unique_labels", + ], + }, + { + "title": "Optimal mathematical operations", + "description": _get_submodule("sklearn.utils", "extmath"), + "autosummary": [ + "extmath.density", + "extmath.fast_logdet", + "extmath.randomized_range_finder", + "extmath.randomized_svd", + "extmath.safe_sparse_dot", + "extmath.weighted_mode", + ], + }, + { + "title": "Working with sparse matrices and arrays", + "description": _get_submodule("sklearn.utils", "sparsefuncs"), + "autosummary": [ + "sparsefuncs.incr_mean_variance_axis", + "sparsefuncs.inplace_column_scale", + "sparsefuncs.inplace_csr_column_scale", + "sparsefuncs.inplace_row_scale", + "sparsefuncs.inplace_swap_column", + "sparsefuncs.inplace_swap_row", + "sparsefuncs.mean_variance_axis", + ], + }, + { + "title": None, + "description": _get_submodule("sklearn.utils", "sparsefuncs_fast"), + "autosummary": [ + "sparsefuncs_fast.inplace_csr_row_normalize_l1", + "sparsefuncs_fast.inplace_csr_row_normalize_l2", + ], + }, + { + "title": "Working with graphs", + "description": _get_submodule("sklearn.utils", "graph"), + "autosummary": ["graph.single_source_shortest_path_length"], + }, + { + "title": "Random sampling", + "description": _get_submodule("sklearn.utils", "random"), + "autosummary": ["random.sample_without_replacement"], + }, + { + "title": "Auxiliary functions that operate on arrays", + "description": _get_submodule("sklearn.utils", "arrayfuncs"), + "autosummary": ["arrayfuncs.min_pos"], + }, + { + "title": "Metadata routing", + "description": ( + _get_submodule("sklearn.utils", "metadata_routing") + + "\n\n" + + _get_guide("metadata_routing") + ), + "autosummary": [ + "metadata_routing.MetadataRequest", + "metadata_routing.MetadataRouter", + "metadata_routing.MethodMapping", + "metadata_routing.get_routing_for_object", + "metadata_routing.process_routing", + ], + }, + { + "title": "Discovering scikit-learn objects", + "description": _get_submodule("sklearn.utils", "discovery"), + "autosummary": [ + "discovery.all_displays", + "discovery.all_estimators", + "discovery.all_functions", + ], + }, + { + "title": "API compatibility checkers", + "description": _get_submodule("sklearn.utils", "estimator_checks"), + "autosummary": [ + "estimator_checks.check_estimator", + "estimator_checks.parametrize_with_checks", + ], + }, + { + "title": "Parallel computing", + "description": _get_submodule("sklearn.utils", "parallel"), + "autosummary": [ + "parallel.Parallel", + "parallel.delayed", + ], + }, + ], + }, +} + + +""" +CONFIGURING DEPRECATED_API_REFERENCE +==================================== + +DEPRECATED_API_REFERENCE maps each deprecation target version to a corresponding +autosummary block. It will be placed at the bottom of the API index page under the +"Recently deprecated" section. Essentially, the rendered section would look like the +following: + +|------------------------------------------| +| To be removed in {{ version_1 }} | +| -------------------------------- | +| {{ autosummary_1 }} | +| | +| To be removed in {{ version_2 }} | +| -------------------------------- | +| {{ autosummary_2 }} | +| | +| More versions... | +|------------------------------------------| + +Note that the autosummary here assumes that the current module is `sklearn`, i.e., if +`sklearn.utils.Memory` is deprecated, one should put `utils.Memory` in the "entries" +slot of the autosummary block. + +Example: + +DEPRECATED_API_REFERENCE = { + "0.24": [ + "model_selection.fit_grid_point", + "utils.safe_indexing", + ], +} +""" + +DEPRECATED_API_REFERENCE = { + "1.7": [ + "utils.parallel_backend", + "utils.register_parallel_backend", + ] +} # type: ignore diff --git a/doc/common_pitfalls.rst b/doc/common_pitfalls.rst index 41eb16665a612..c16385943f9ad 100644 --- a/doc/common_pitfalls.rst +++ b/doc/common_pitfalls.rst @@ -1,9 +1,3 @@ -.. Places parent toc into the sidebar - -:parenttoc: True - -.. include:: includes/big_toc_css.rst - .. _common_pitfalls: ========================================= @@ -414,43 +408,40 @@ it will allow the estimator RNG to vary for each fold. illustration purpose: what matters is what we pass to the :class:`~sklearn.ensemble.RandomForestClassifier` estimator. -|details-start| -**Cloning** -|details-split| +.. dropdown:: Cloning -Another subtle side effect of passing `RandomState` instances is how -:func:`~sklearn.base.clone` will work:: + Another subtle side effect of passing `RandomState` instances is how + :func:`~sklearn.base.clone` will work:: - >>> from sklearn import clone - >>> from sklearn.ensemble import RandomForestClassifier - >>> import numpy as np + >>> from sklearn import clone + >>> from sklearn.ensemble import RandomForestClassifier + >>> import numpy as np + + >>> rng = np.random.RandomState(0) + >>> a = RandomForestClassifier(random_state=rng) + >>> b = clone(a) + + Since a `RandomState` instance was passed to `a`, `a` and `b` are not clones + in the strict sense, but rather clones in the statistical sense: `a` and `b` + will still be different models, even when calling `fit(X, y)` on the same + data. Moreover, `a` and `b` will influence each-other since they share the + same internal RNG: calling `a.fit` will consume `b`'s RNG, and calling + `b.fit` will consume `a`'s RNG, since they are the same. This bit is true for + any estimators that share a `random_state` parameter; it is not specific to + clones. + + If an integer were passed, `a` and `b` would be exact clones and they would not + influence each other. + + .. warning:: + Even though :func:`~sklearn.base.clone` is rarely used in user code, it is + called pervasively throughout scikit-learn codebase: in particular, most + meta-estimators that accept non-fitted estimators call + :func:`~sklearn.base.clone` internally + (:class:`~sklearn.model_selection.GridSearchCV`, + :class:`~sklearn.ensemble.StackingClassifier`, + :class:`~sklearn.calibration.CalibratedClassifierCV`, etc.). - >>> rng = np.random.RandomState(0) - >>> a = RandomForestClassifier(random_state=rng) - >>> b = clone(a) - -Since a `RandomState` instance was passed to `a`, `a` and `b` are not clones -in the strict sense, but rather clones in the statistical sense: `a` and `b` -will still be different models, even when calling `fit(X, y)` on the same -data. Moreover, `a` and `b` will influence each-other since they share the -same internal RNG: calling `a.fit` will consume `b`'s RNG, and calling -`b.fit` will consume `a`'s RNG, since they are the same. This bit is true for -any estimators that share a `random_state` parameter; it is not specific to -clones. - -If an integer were passed, `a` and `b` would be exact clones and they would not -influence each other. - -.. warning:: - Even though :func:`~sklearn.base.clone` is rarely used in user code, it is - called pervasively throughout scikit-learn codebase: in particular, most - meta-estimators that accept non-fitted estimators call - :func:`~sklearn.base.clone` internally - (:class:`~sklearn.model_selection.GridSearchCV`, - :class:`~sklearn.ensemble.StackingClassifier`, - :class:`~sklearn.calibration.CalibratedClassifierCV`, etc.). - -|details-end| CV splitters ............ diff --git a/doc/computing.rst b/doc/computing.rst index 6732b754918b0..9f166432006b2 100644 --- a/doc/computing.rst +++ b/doc/computing.rst @@ -1,13 +1,7 @@ -.. Places parent toc into the sidebar - -:parenttoc: True - ============================ Computing with scikit-learn ============================ -.. include:: includes/big_toc_css.rst - .. toctree:: :maxdepth: 2 diff --git a/doc/computing/computational_performance.rst b/doc/computing/computational_performance.rst index d6864689502c2..a7b6d3a37001e 100644 --- a/doc/computing/computational_performance.rst +++ b/doc/computing/computational_performance.rst @@ -1,7 +1,3 @@ -.. Places parent toc into the sidebar - -:parenttoc: True - .. _computational_performance: .. currentmodule:: sklearn diff --git a/doc/computing/parallelism.rst b/doc/computing/parallelism.rst index 53cef5603c5be..5c15cd9db440e 100644 --- a/doc/computing/parallelism.rst +++ b/doc/computing/parallelism.rst @@ -1,7 +1,3 @@ -.. Places parent toc into the sidebar - -:parenttoc: True - Parallelism, resource management, and configuration =================================================== diff --git a/doc/computing/scaling_strategies.rst b/doc/computing/scaling_strategies.rst index 143643131b0e8..286a1e79d0a8c 100644 --- a/doc/computing/scaling_strategies.rst +++ b/doc/computing/scaling_strategies.rst @@ -1,7 +1,3 @@ -.. Places parent toc into the sidebar - -:parenttoc: True - .. _scaling_strategies: Strategies to scale computationally: bigger data diff --git a/doc/conf.py b/doc/conf.py index 9d77fc68d0f71..db79bfe3f7865 100644 --- a/doc/conf.py +++ b/doc/conf.py @@ -15,7 +15,6 @@ import sys import warnings from datetime import datetime -from io import StringIO from pathlib import Path from sklearn.externals._packaging.version import parse @@ -25,8 +24,10 @@ # directory, add these directories to sys.path here. If the directory # is relative to the documentation root, use os.path.abspath to make it # absolute, like shown here. +sys.path.insert(0, os.path.abspath(".")) sys.path.insert(0, os.path.abspath("sphinxext")) +import jinja2 import sphinx_gallery from github_link import make_linkcode_resolve from sphinx_gallery.notebook import add_code_cell, add_markdown_cell @@ -56,14 +57,21 @@ "sphinx.ext.intersphinx", "sphinx.ext.imgconverter", "sphinx_gallery.gen_gallery", - "sphinx_issues", - "add_toctree_functions", "sphinx-prompt", "sphinx_copybutton", "sphinxext.opengraph", - "doi_role", - "allow_nan_estimators", "matplotlib.sphinxext.plot_directive", + "sphinxcontrib.sass", + "sphinx_remove_toctrees", + "sphinx_design", + # See sphinxext/ + "allow_nan_estimators", + "autoshortsummary", + "doi_role", + "dropdown_anchors", + "move_gallery_links", + "override_pst_pagetoc", + "sphinx_issues", ] # Specify how to identify the prompt when copying code snippets @@ -96,8 +104,12 @@ plot_html_show_formats = False plot_html_show_source_link = False -# this is needed for some reason... -# see https://github.com/numpy/numpydoc/issues/69 +# We do not need the table of class members because `sphinxext/override_pst_pagetoc.py` +# will show them in the secondary sidebar +numpydoc_show_class_members = False +numpydoc_show_inherited_class_members = False + +# We want in-page toc of class members instead of a separate page for each entry numpydoc_class_members_toctree = False @@ -111,8 +123,6 @@ extensions.append("sphinx.ext.mathjax") mathjax_path = "https://cdn.jsdelivr.net/npm/mathjax@3/es5/tex-chtml.js" -autodoc_default_options = {"members": True, "inherited-members": True} - # Add any paths that contain templates here, relative to this directory. templates_path = ["templates"] @@ -123,10 +133,10 @@ source_suffix = ".rst" # The encoding of source files. -# source_encoding = 'utf-8' +source_encoding = "utf-8" # The main toctree document. -root_doc = "contents" +root_doc = "index" # General information about the project. project = "scikit-learn" @@ -160,7 +170,12 @@ # List of patterns, relative to source directory, that match files and # directories to ignore when looking for source files. -exclude_patterns = ["_build", "templates", "includes", "themes"] +exclude_patterns = [ + "_build", + "templates", + "includes", + "**/sg_execution_times.rst", +] # The reST default role (used for this markup: `text`) to use for all # documents. @@ -177,9 +192,6 @@ # output. They are ignored by default. # show_authors = False -# The name of the Pygments (syntax highlighting) style to use. -pygments_style = "sphinx" - # A list of ignored prefixes for module index sorting. # modindex_common_prefix = [] @@ -188,21 +200,89 @@ # The theme to use for HTML and HTML Help pages. Major themes that come with # Sphinx are currently 'default' and 'sphinxdoc'. -html_theme = "scikit-learn-modern" +html_theme = "pydata_sphinx_theme" # Theme options are theme-specific and customize the look and feel of a theme # further. For a list of options available for each theme, see the # documentation. html_theme_options = { - "legacy_google_analytics": True, - "analytics": True, - "mathjax_path": mathjax_path, - "link_to_live_contributing_page": not parsed_version.is_devrelease, + # -- General configuration ------------------------------------------------ + "sidebar_includehidden": True, + "use_edit_page_button": True, + "external_links": [], + "icon_links_label": "Icon Links", + "icon_links": [ + { + "name": "GitHub", + "url": "https://github.com/scikit-learn/scikit-learn", + "icon": "fa-brands fa-square-github", + "type": "fontawesome", + }, + ], + "analytics": { + "plausible_analytics_domain": "scikit-learn.org", + "plausible_analytics_url": "https://views.scientific-python.org/js/script.js", + }, + # If "prev-next" is included in article_footer_items, then setting show_prev_next + # to True would repeat prev and next links. See + # https://github.com/pydata/pydata-sphinx-theme/blob/b731dc230bc26a3d1d1bb039c56c977a9b3d25d8/src/pydata_sphinx_theme/theme/pydata_sphinx_theme/layout.html#L118-L129 + "show_prev_next": False, + "search_bar_text": "Search the docs ...", + "navigation_with_keys": False, + "collapse_navigation": False, + "navigation_depth": 2, + "show_nav_level": 1, + "show_toc_level": 1, + "navbar_align": "left", + "header_links_before_dropdown": 5, + "header_dropdown_text": "More", + # The switcher requires a JSON file with the list of documentation versions, which + # is generated by the script `build_tools/circle/list_versions.py` and placed under + # the `js/` static directory; it will then be copied to the `_static` directory in + # the built documentation + "switcher": { + "json_url": "https://scikit-learn.org/dev/_static/versions.json", + "version_match": release, + }, + # check_switcher may be set to False if docbuild pipeline fails. See + # https://pydata-sphinx-theme.readthedocs.io/en/stable/user_guide/version-dropdown.html#configure-switcher-json-url + "check_switcher": True, + "pygments_light_style": "tango", + "pygments_dark_style": "monokai", + "logo": { + "alt_text": "scikit-learn homepage", + "image_relative": "logos/scikit-learn-logo-small.png", + "image_light": "logos/scikit-learn-logo-small.png", + "image_dark": "logos/scikit-learn-logo-small.png", + }, + "surface_warnings": True, + # -- Template placement in theme layouts ---------------------------------- + "navbar_start": ["navbar-logo"], + # Note that the alignment of navbar_center is controlled by navbar_align + "navbar_center": ["navbar-nav"], + "navbar_end": ["theme-switcher", "navbar-icon-links", "version-switcher"], + # navbar_persistent is persistent right (even when on mobiles) + "navbar_persistent": ["search-button"], + "article_header_start": ["breadcrumbs"], + "article_header_end": [], + "article_footer_items": ["prev-next"], + "content_footer_items": [], + # Use html_sidebars that map page patterns to list of sidebar templates + "primary_sidebar_end": [], + "footer_start": ["copyright"], + "footer_center": [], + "footer_end": [], + # When specified as a dictionary, the keys should follow glob-style patterns, as in + # https://www.sphinx-doc.org/en/master/usage/configuration.html#confval-exclude_patterns + # In particular, "**" specifies the default for all pages + # Use :html_theme.sidebar_secondary.remove: for file-wide removal + "secondary_sidebar_items": {"**": ["page-toc", "sourcelink"]}, + "show_version_warning_banner": True, + "announcement": None, } # Add any paths that contain custom themes here, relative to this directory. -html_theme_path = ["themes"] - +# html_theme_path = ["themes"] # The name for this set of Sphinx documents. If None, it defaults to # " v documentation". @@ -211,10 +291,6 @@ # A shorter title for the navigation bar. Default is the same as html_title. html_short_title = "scikit-learn" -# The name of an image file (relative to this directory) to place at the top -# of the sidebar. -html_logo = "logos/scikit-learn-logo-small.png" - # The name of an image file (within the static path) to use as favicon of the # docs. This file should be a Windows icon file (.ico) being 16x16 or 32x32 # pixels large. @@ -223,19 +299,77 @@ # Add any paths that contain custom static files (such as style sheets) here, # relative to this directory. They are copied after the builtin static files, # so a file named "default.css" will overwrite the builtin "default.css". -html_static_path = ["images"] +html_static_path = ["images", "css", "js"] # If not '', a 'Last updated on:' timestamp is inserted at every page bottom, # using the given strftime format. # html_last_updated_fmt = '%b %d, %Y' # Custom sidebar templates, maps document names to template names. -# html_sidebars = {} +# Workaround for removing the left sidebar on pages without TOC +# A better solution would be to follow the merge of: +# https://github.com/pydata/pydata-sphinx-theme/pull/1682 +html_sidebars = { + "install": [], + "getting_started": [], + "glossary": [], + "faq": [], + "support": [], + "related_projects": [], + "roadmap": [], + "governance": [], + "about": [], +} # Additional templates that should be rendered to pages, maps page names to # template names. html_additional_pages = {"index": "index.html"} +# Additional files to copy +# html_extra_path = [] + +# Additional JS files +html_js_files = [ + "scripts/dropdown.js", + "scripts/version-switcher.js", +] + +# Compile scss files into css files using sphinxcontrib-sass +sass_src_dir, sass_out_dir = "scss", "css/styles" +sass_targets = { + f"{file.stem}.scss": f"{file.stem}.css" + for file in Path(sass_src_dir).glob("*.scss") +} + +# Additional CSS files, should be subset of the values of `sass_targets` +html_css_files = ["styles/colors.css", "styles/custom.css"] + + +def add_js_css_files(app, pagename, templatename, context, doctree): + """Load additional JS and CSS files only for certain pages. + + Note that `html_js_files` and `html_css_files` are included in all pages and + should be used for the ones that are used by multiple pages. All page-specific + JS and CSS files should be added here instead. + """ + if pagename == "api/index": + # External: jQuery and DataTables + app.add_js_file("https://code.jquery.com/jquery-3.7.0.js") + app.add_js_file("https://cdn.datatables.net/2.0.0/js/dataTables.min.js") + app.add_css_file( + "https://cdn.datatables.net/2.0.0/css/dataTables.dataTables.min.css" + ) + # Internal: API search intialization and styling + app.add_js_file("scripts/api-search.js") + app.add_css_file("styles/api-search.css") + elif pagename == "index": + app.add_css_file("styles/index.css") + elif pagename == "install": + app.add_css_file("styles/install.css") + elif pagename.startswith("modules/generated/"): + app.add_css_file("styles/api.css") + + # If false, no module index is generated. html_domain_indices = False @@ -285,6 +419,9 @@ # redirects dictionary maps from old links to new links redirects = { "documentation": "index", + "contents": "index", + "preface": "index", + "modules/classes": "api/index", "auto_examples/feature_selection/plot_permutation_test_for_classification": ( "auto_examples/model_selection/plot_permutation_tests_for_classification" ), @@ -301,6 +438,7 @@ "auto_examples/decomposition/plot_beta_divergence": ( "auto_examples/applications/plot_topics_extraction_with_nmf_lda" ), + "auto_examples/svm/plot_svm_nonlinear": "auto_examples/svm/plot_svm_kernels", "auto_examples/ensemble/plot_adaboost_hastie_10_2": ( "auto_examples/ensemble/plot_adaboost_multiclass" ), @@ -315,31 +453,9 @@ for old_link in redirects: html_additional_pages[old_link] = "redirects.html" -# Not showing the search summary makes the search page load faster. -html_show_search_summary = True - - -# The "summary-anchor" IDs will be overwritten via JavaScript to be unique. -# See `doc/theme/scikit-learn-modern/static/js/details-permalink.js`. -rst_prolog = """ -.. |details-start| raw:: html - -
- - -.. |details-split| raw:: html - - Click for more details - - -
+# See https://github.com/scikit-learn/scikit-learn/pull/22550 +html_context["is_devrelease"] = parsed_version.is_devrelease -.. |details-end| raw:: html - -
-
- -""" # -- Options for LaTeX output ------------------------------------------------ latex_elements = { @@ -527,14 +643,16 @@ def reset_sklearn_config(gallery_conf, fname): sklearn.set_config(**default_global_config) +sg_examples_dir = "../examples" +sg_gallery_dir = "auto_examples" sphinx_gallery_conf = { "doc_module": "sklearn", "backreferences_dir": os.path.join("modules", "generated"), "show_memory": False, "reference_url": {"sklearn": None}, - "examples_dirs": ["../examples"], - "gallery_dirs": ["auto_examples"], - "subsection_order": SubSectionTitleOrder("../examples"), + "examples_dirs": [sg_examples_dir], + "gallery_dirs": [sg_gallery_dir], + "subsection_order": SubSectionTitleOrder(sg_examples_dir), "within_subsection_order": SKExampleTitleSortKey, "binder": { "org": "scikit-learn", @@ -548,7 +666,7 @@ def reset_sklearn_config(gallery_conf, fname): "inspect_global_variables": False, "remove_config_comments": True, "plot_gallery": "True", - "recommender": {"enable": True, "n_examples": 5, "min_df": 12}, + "recommender": {"enable": True, "n_examples": 4, "min_df": 12}, "reset_modules": ("matplotlib", "seaborn", reset_sklearn_config), } if with_jupyterlite: @@ -556,6 +674,26 @@ def reset_sklearn_config(gallery_conf, fname): "notebook_modification_function": notebook_modification_function } +# Secondary sidebar configuration for pages generated by sphinx-gallery + +# For the index page of the gallery and each nested section, we hide the secondary +# sidebar by specifying an empty list (no components), because there is no meaningful +# in-page toc for these pages, and they are generated so "sourcelink" is not useful +# either. + +# For each example page we keep default ["page-toc", "sourcelink"] specified by the +# "**" key. "page-toc" is wanted for these pages. "sourcelink" is also necessary since +# otherwise the secondary sidebar will degenerate when "page-toc" is empty, and the +# script `sphinxext/move_gallery_links.py` will fail (it assumes the existence of the +# secondary sidebar). The script will remove "sourcelink" in the end. + +html_theme_options["secondary_sidebar_items"][f"{sg_gallery_dir}/index"] = [] +for sub_sg_dir in (Path(".") / sg_examples_dir).iterdir(): + if sub_sg_dir.is_dir(): + html_theme_options["secondary_sidebar_items"][ + f"{sg_gallery_dir}/{sub_sg_dir.name}/index" + ] = [] + # The following dictionary contains the information used to create the # thumbnails for the front page of the scikit-learn home page. @@ -605,73 +743,6 @@ def filter_search_index(app, exception): f.write(searchindex_text) -def generate_min_dependency_table(app): - """Generate min dependency table for docs.""" - from sklearn._min_dependencies import dependent_packages - - # get length of header - package_header_len = max(len(package) for package in dependent_packages) + 4 - version_header_len = len("Minimum Version") + 4 - tags_header_len = max(len(tags) for _, tags in dependent_packages.values()) + 4 - - output = StringIO() - output.write( - " ".join( - ["=" * package_header_len, "=" * version_header_len, "=" * tags_header_len] - ) - ) - output.write("\n") - dependency_title = "Dependency" - version_title = "Minimum Version" - tags_title = "Purpose" - - output.write( - f"{dependency_title:<{package_header_len}} " - f"{version_title:<{version_header_len}} " - f"{tags_title}\n" - ) - - output.write( - " ".join( - ["=" * package_header_len, "=" * version_header_len, "=" * tags_header_len] - ) - ) - output.write("\n") - - for package, (version, tags) in dependent_packages.items(): - output.write( - f"{package:<{package_header_len}} {version:<{version_header_len}} {tags}\n" - ) - - output.write( - " ".join( - ["=" * package_header_len, "=" * version_header_len, "=" * tags_header_len] - ) - ) - output.write("\n") - output = output.getvalue() - - with (Path(".") / "min_dependency_table.rst").open("w") as f: - f.write(output) - - -def generate_min_dependency_substitutions(app): - """Generate min dependency substitutions for docs.""" - from sklearn._min_dependencies import dependent_packages - - output = StringIO() - - for package, (version, _) in dependent_packages.items(): - package = package.capitalize() - output.write(f".. |{package}MinVersion| replace:: {version}") - output.write("\n") - - output = output.getvalue() - - with (Path(".") / "min_dependency_substitutions.rst").open("w") as f: - f.write(output) - - # Config for sphinx_issues # we use the issues path for PRs since the issues URL will forward @@ -687,10 +758,11 @@ def setup(app): # do not run the examples when using linkcheck by using a small priority # (default priority is 500 and sphinx-gallery using builder-inited event too) app.connect("builder-inited", disable_plot_gallery_for_linkcheck, priority=50) - app.connect("builder-inited", generate_min_dependency_table) - app.connect("builder-inited", generate_min_dependency_substitutions) - # to hide/show the prompt in code examples: + # triggered just before the HTML for an individual page is created + app.connect("html-page-context", add_js_css_files) + + # to hide/show the prompt in code examples app.connect("build-finished", make_carousel_thumbs) app.connect("build-finished", filter_search_index) @@ -795,6 +867,10 @@ def setup(app): "consistently-create-same-random-numpy-array/5837352#comment6712034_5837352", ] +# Config for sphinx-remove-toctrees + +remove_from_toctrees = ["metadata_routing.rst"] + # Use a browser-like user agent to avoid some "403 Client Error: Forbidden for # url" errors. This is taken from the variable navigator.userAgent inside a # browser console. @@ -812,3 +888,78 @@ def setup(app): linkcheck_request_headers = { "https://github.com/": {"Authorization": f"token {github_token}"}, } + + +# -- Convert .rst.template files to .rst --------------------------------------- + +from api_reference import API_REFERENCE, DEPRECATED_API_REFERENCE + +from sklearn._min_dependencies import dependent_packages + +# If development build, link to local page in the top navbar; otherwise link to the +# development version; see https://github.com/scikit-learn/scikit-learn/pull/22550 +if parsed_version.is_devrelease: + development_link = "developers/index" +else: + development_link = "https://scikit-learn.org/dev/developers/index.html" + +# Define the templates and target files for conversion +# Each entry is in the format (template name, file name, kwargs for rendering) +rst_templates = [ + ("index", "index", {"development_link": development_link}), + ( + "min_dependency_table", + "min_dependency_table", + {"dependent_packages": dependent_packages}, + ), + ( + "min_dependency_substitutions", + "min_dependency_substitutions", + {"dependent_packages": dependent_packages}, + ), + ( + "api/index", + "api/index", + { + "API_REFERENCE": sorted(API_REFERENCE.items(), key=lambda x: x[0]), + "DEPRECATED_API_REFERENCE": sorted( + DEPRECATED_API_REFERENCE.items(), key=lambda x: x[0], reverse=True + ), + }, + ), +] + +# Convert each module API reference page +for module in API_REFERENCE: + rst_templates.append( + ( + "api/module", + f"api/{module}", + {"module": module, "module_info": API_REFERENCE[module]}, + ) + ) + +# Convert the deprecated API reference page (if there exists any) +if DEPRECATED_API_REFERENCE: + rst_templates.append( + ( + "api/deprecated", + "api/deprecated", + { + "DEPRECATED_API_REFERENCE": sorted( + DEPRECATED_API_REFERENCE.items(), key=lambda x: x[0], reverse=True + ) + }, + ) + ) + +for rst_template_name, rst_target_name, kwargs in rst_templates: + # Read the corresponding template file into jinja2 + with (Path(".") / f"{rst_template_name}.rst.template").open( + "r", encoding="utf-8" + ) as f: + t = jinja2.Template(f.read()) + + # Render the template and write to the target + with (Path(".") / f"{rst_target_name}.rst").open("w", encoding="utf-8") as f: + f.write(t.render(**kwargs)) diff --git a/doc/contents.rst b/doc/contents.rst deleted file mode 100644 index a28634621d558..0000000000000 --- a/doc/contents.rst +++ /dev/null @@ -1,24 +0,0 @@ -.. include:: includes/big_toc_css.rst -.. include:: tune_toc.rst - -.. Places global toc into the sidebar - -:globalsidebartoc: True - -================= -Table Of Contents -================= - -.. Define an order for the Table of Contents: - -.. toctree:: - :maxdepth: 2 - - preface - tutorial/index - getting_started - user_guide - glossary - auto_examples/index - modules/classes - developers/index diff --git a/doc/css/.gitkeep b/doc/css/.gitkeep new file mode 100644 index 0000000000000..e69de29bb2d1d diff --git a/doc/data_transforms.rst b/doc/data_transforms.rst index 084214cb094f5..536539ec97007 100644 --- a/doc/data_transforms.rst +++ b/doc/data_transforms.rst @@ -1,9 +1,3 @@ -.. Places parent toc into the sidebar - -:parenttoc: True - -.. include:: includes/big_toc_css.rst - .. _data-transforms: Dataset transformations diff --git a/doc/datasets.rst b/doc/datasets.rst index b9484a02ce84c..ee767e5843256 100644 --- a/doc/datasets.rst +++ b/doc/datasets.rst @@ -1,9 +1,3 @@ -.. Places parent toc into the sidebar - -:parenttoc: True - -.. include:: includes/big_toc_css.rst - .. _datasets: ========================= diff --git a/doc/datasets/loading_other_datasets.rst b/doc/datasets/loading_other_datasets.rst index fdd7fd1666cce..004aa66c001e5 100644 --- a/doc/datasets/loading_other_datasets.rst +++ b/doc/datasets/loading_other_datasets.rst @@ -1,7 +1,3 @@ -.. Places parent toc into the sidebar - -:parenttoc: True - .. _loading_other_datasets: Loading other datasets @@ -37,9 +33,9 @@ and pipelines on 2D data. if you plan to use ``matplotlib.pyplpt.imshow``, don't forget to scale to the range 0 - 1 as done in the following example. -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_cluster_plot_color_quantization.py` +* :ref:`sphx_glr_auto_examples_cluster_plot_color_quantization.py` .. _libsvm_loader: @@ -72,11 +68,10 @@ features:: ... "/path/to/test_dataset.txt", n_features=X_train.shape[1]) ... # doctest: +SKIP -.. topic:: Related links: - - _`Public datasets in svmlight / libsvm format`: https://www.csie.ntu.edu.tw/~cjlin/libsvmtools/datasets +.. rubric:: Related links - _`Faster API-compatible implementation`: https://github.com/mblondel/svmlight-loader +- `Public datasets in svmlight / libsvm format`: https://www.csie.ntu.edu.tw/~cjlin/libsvmtools/datasets +- `Faster API-compatible implementation`: https://github.com/mblondel/svmlight-loader .. For doctests: @@ -219,11 +214,11 @@ identifies the dataset:: '969' -.. topic:: References: +.. rubric:: References - * :arxiv:`Vanschoren, van Rijn, Bischl and Torgo. "OpenML: networked science in - machine learning" ACM SIGKDD Explorations Newsletter, 15(2), 49-60, 2014. - <1407.7722>` +* :arxiv:`Vanschoren, van Rijn, Bischl and Torgo. "OpenML: networked science in + machine learning" ACM SIGKDD Explorations Newsletter, 15(2), 49-60, 2014. + <1407.7722>` .. _openml_parser: diff --git a/doc/datasets/real_world.rst b/doc/datasets/real_world.rst index 78b09e6f722b0..f05d475b0db78 100644 --- a/doc/datasets/real_world.rst +++ b/doc/datasets/real_world.rst @@ -1,7 +1,3 @@ -.. Places parent toc into the sidebar - -:parenttoc: True - .. _real_world_datasets: Real world datasets diff --git a/doc/datasets/sample_generators.rst b/doc/datasets/sample_generators.rst index 7dc123f08424c..5b8264c2a22b5 100644 --- a/doc/datasets/sample_generators.rst +++ b/doc/datasets/sample_generators.rst @@ -1,7 +1,3 @@ -.. Places parent toc into the sidebar - -:parenttoc: True - .. _sample_generators: Generated datasets diff --git a/doc/datasets/toy_dataset.rst b/doc/datasets/toy_dataset.rst index 65fd20abd361d..d7edecddd3510 100644 --- a/doc/datasets/toy_dataset.rst +++ b/doc/datasets/toy_dataset.rst @@ -1,7 +1,3 @@ -.. Places parent toc into the sidebar - -:parenttoc: True - .. _toy_datasets: Toy datasets diff --git a/doc/developers/advanced_installation.rst b/doc/developers/advanced_installation.rst index ed25d30601e45..88521c6c51867 100644 --- a/doc/developers/advanced_installation.rst +++ b/doc/developers/advanced_installation.rst @@ -58,9 +58,9 @@ feature, code or documentation improvement). If you plan on submitting a pull-request, you should clone from your fork instead. -#. Install a recent version of Python (3.9 is recommended at the time of writing) - for instance using Miniforge3_. Miniforge provides a conda-based distribution - of Python and the most popular scientific libraries. +#. Install a recent version of Python (3.9 or later at the time of writing) for + instance using Miniforge3_. Miniforge provides a conda-based distribution of + Python and the most popular scientific libraries. If you installed Python with conda, we recommend to create a dedicated `conda environment`_ with all the build dependencies of scikit-learn @@ -68,7 +68,7 @@ feature, code or documentation improvement). .. prompt:: bash $ - conda create -n sklearn-env -c conda-forge python=3.9 numpy scipy cython meson-python ninja + conda create -n sklearn-env -c conda-forge python numpy scipy cython meson-python ninja It is not always necessary but it is safer to open a new prompt before activating the newly created conda environment. diff --git a/doc/developers/contributing.rst b/doc/developers/contributing.rst index 9f43d8ed52c38..a9dc7cb305f61 100644 --- a/doc/developers/contributing.rst +++ b/doc/developers/contributing.rst @@ -7,12 +7,9 @@ Contributing .. currentmodule:: sklearn This project is a community effort, and everyone is welcome to -contribute. - -The project is hosted on https://github.com/scikit-learn/scikit-learn - +contribute. It is hosted on https://github.com/scikit-learn/scikit-learn. The decision making process and governance structure of scikit-learn is laid -out in the governance document: :ref:`governance`. +out in :ref:`governance`. Scikit-learn is somewhat :ref:`selective ` when it comes to adding new algorithms, and the best way to contribute and to help the project @@ -70,10 +67,12 @@ link to it from your website, or simply star to say "I use it": .. raw:: html - Star - +

+ + +

In case a contribution/issue involves changes to the API principles or changes to dependencies or supported versions, it must be backed by a @@ -82,31 +81,26 @@ or changes to dependencies or supported versions, it must be backed by a using the `SLEP template `_ and follows the decision-making process outlined in :ref:`governance`. -|details-start| -**Contributing to related projects** -|details-split| - - Scikit-learn thrives in an ecosystem of several related projects, which also - may have relevant issues to work on, including smaller projects such as: +.. dropdown:: Contributing to related projects - * `scikit-learn-contrib `__ - * `joblib `__ - * `sphinx-gallery `__ - * `numpydoc `__ - * `liac-arff `__ + Scikit-learn thrives in an ecosystem of several related projects, which also + may have relevant issues to work on, including smaller projects such as: - and larger projects: + * `scikit-learn-contrib `__ + * `joblib `__ + * `sphinx-gallery `__ + * `numpydoc `__ + * `liac-arff `__ - * `numpy `__ - * `scipy `__ - * `matplotlib `__ - * and so on. + and larger projects: - Look for issues marked "help wanted" or similar. - Helping these projects may help Scikit-learn too. - See also :ref:`related_projects`. + * `numpy `__ + * `scipy `__ + * `matplotlib `__ + * and so on. -|details-end| + Look for issues marked "help wanted" or similar. Helping these projects may help + scikit-learn too. See also :ref:`related_projects`. Submitting a bug report or a feature request ============================================ @@ -139,17 +133,15 @@ following rules before submitting: How to make a good bug report ----------------------------- -When you submit an issue to `Github +When you submit an issue to `GitHub `__, please do your best to follow these guidelines! This will make it a lot easier to provide you with good feedback: - The ideal bug report contains a :ref:`short reproducible code snippet - `, this way - anyone can try to reproduce the bug easily (see `this - `_ for more details). If your snippet is - longer than around 50 lines, please link to a `gist - `_ or a github repo. + `, this way anyone can try to reproduce the bug easily. If your + snippet is longer than around 50 lines, please link to a `Gist + `_ or a GitHub repo. - If not feasible to include a reproducible snippet, please be specific about what **estimators and/or functions are involved and the shape of the data**. @@ -158,18 +150,18 @@ feedback: - Please include your **operating system type and version number**, as well as your **Python, scikit-learn, numpy, and scipy versions**. This information - can be found by running the following code snippet:: + can be found by running: - >>> import sklearn - >>> sklearn.show_versions() # doctest: +SKIP + .. prompt:: bash + + python -c "import sklearn; sklearn.show_versions()" - Please ensure all **code snippets and error messages are formatted in appropriate code blocks**. See `Creating and highlighting code blocks `_ for more details. -If you want to help curate issues, read :ref:`the following -`. +If you want to help curate issues, read about :ref:`bug_triaging`. Contributing code ================= @@ -245,7 +237,7 @@ how to set up your git repository: 3. Clone your fork of the scikit-learn repo from your GitHub account to your local disk: - .. prompt:: bash $ + .. prompt:: bash git clone git@github.com:YourLogin/scikit-learn.git # add --depth 1 if your connection is slow cd scikit-learn @@ -255,7 +247,7 @@ how to set up your git repository: 5. Install the development dependencies: - .. prompt:: bash $ + .. prompt:: bash pip install pytest pytest-cov ruff mypy numpydoc black==24.3.0 @@ -265,12 +257,14 @@ how to set up your git repository: scikit-learn repository, which you can use to keep your repository synchronized with the latest changes: - .. prompt:: bash $ + .. prompt:: bash git remote add upstream git@github.com:scikit-learn/scikit-learn.git 7. Check that the `upstream` and `origin` remote aliases are configured correctly - by running `git remote -v` which should display:: + by running `git remote -v` which should display: + + .. code-block:: text origin git@github.com:YourLogin/scikit-learn.git (fetch) origin git@github.com:YourLogin/scikit-learn.git (push) @@ -286,7 +280,7 @@ The next steps now describe the process of modifying code and submitting a PR: 8. Synchronize your ``main`` branch with the ``upstream/main`` branch, more details on `GitHub Docs `_: - .. prompt:: bash $ + .. prompt:: bash git checkout main git fetch upstream @@ -294,7 +288,7 @@ The next steps now describe the process of modifying code and submitting a PR: 9. Create a feature branch to hold your development changes: - .. prompt:: bash $ + .. prompt:: bash git checkout -b my_feature @@ -304,7 +298,7 @@ The next steps now describe the process of modifying code and submitting a PR: 10. (**Optional**) Install `pre-commit `_ to run code style checks before each commit: - .. prompt:: bash $ + .. prompt:: bash pip install pre-commit pre-commit install @@ -316,7 +310,7 @@ The next steps now describe the process of modifying code and submitting a PR: do the version control. When you're done editing, add changed files using ``git add`` and then ``git commit``: - .. prompt:: bash $ + .. prompt:: bash git add modified_files git commit @@ -324,7 +318,7 @@ The next steps now describe the process of modifying code and submitting a PR: to record your changes in Git, then push the changes to your GitHub account with: - .. prompt:: bash $ + .. prompt:: bash git push -u origin my_feature @@ -337,7 +331,7 @@ The next steps now describe the process of modifying code and submitting a PR: It is often helpful to keep your local feature branch synchronized with the latest changes of the main scikit-learn repository: -.. prompt:: bash $ +.. prompt:: bash git fetch upstream git merge upstream/main @@ -347,7 +341,7 @@ Subsequently, you might need to solve the conflicts. You can refer to the line `_. -.. topic:: Learning git: +.. topic:: Learning Git The `Git documentation `_ and http://try.github.io are excellent resources to get started with git, @@ -359,19 +353,18 @@ Pull request checklist ---------------------- Before a PR can be merged, it needs to be approved by two core developers. -Please prefix the title of your pull request with ``[MRG]`` if the -contribution is complete and should be subjected to a detailed review. An -incomplete contribution -- where you expect to do more work before receiving -a full review -- should be prefixed ``[WIP]`` (to indicate a work in -progress) and changed to ``[MRG]`` when it matures. WIPs may be useful to: +An incomplete contribution -- where you expect to do more work before receiving +a full review -- should be marked as a `draft pull request +`__ +and changed to "ready for review" when it matures. Draft PRs may be useful to: indicate you are working on something to avoid duplicated work, request -broad review of functionality or API, or seek collaborators. WIPs often +broad review of functionality or API, or seek collaborators. Draft PRs often benefit from the inclusion of a `task list `_ in the PR description. In order to ease the reviewing process, we recommend that your contribution -complies with the following rules before marking a PR as ``[MRG]``. The +complies with the following rules before marking a PR as "ready for review". The **bolded** ones are especially important: 1. **Give your pull request a helpful title** that summarizes what your @@ -418,13 +411,11 @@ complies with the following rules before marking a PR as ``[MRG]``. The non-regression tests should fail for the code base in the ``main`` branch and pass for the PR code. - 5. Follow the :ref:`coding-guidelines`. - -6. When applicable, use the validation tools and scripts in the - ``sklearn.utils`` submodule. A list of utility routines available - for developers can be found in the :ref:`developers-utils` page. +6. When applicable, use the validation tools and scripts in the :mod:`sklearn.utils` + module. A list of utility routines available for developers can be found in the + :ref:`developers-utils` page. 7. Often pull requests resolve one or more other issues (or pull requests). If merging your pull request means that some other issues/PRs should @@ -433,61 +424,59 @@ complies with the following rules before marking a PR as ``[MRG]``. The (e.g., ``Fixes #1234``; multiple issues/PRs are allowed as long as each one is preceded by a keyword). Upon merging, those issues/PRs will automatically be closed by GitHub. If your pull request is simply - related to some other issues/PRs, create a link to them without using - the keywords (e.g., ``See also #1234``). + related to some other issues/PRs, or it only partially resolves the target + issue, create a link to them without using the keywords (e.g., ``Towards #1234``). 8. PRs should often substantiate the change, through benchmarks of - performance and efficiency (see :ref:`monitoring_performances`) or through - examples of usage. Examples also illustrate the features and intricacies of - the library to users. Have a look at other examples in the `examples/ - `_ - directory for reference. Examples should demonstrate why the new - functionality is useful in practice and, if possible, compare it to other - methods available in scikit-learn. + performance and efficiency (see :ref:`monitoring_performances`) or through + examples of usage. Examples also illustrate the features and intricacies of + the library to users. Have a look at other examples in the `examples/ + `_ + directory for reference. Examples should demonstrate why the new + functionality is useful in practice and, if possible, compare it to other + methods available in scikit-learn. 9. New features have some maintenance overhead. We expect PR authors - to take part in the maintenance for the code they submit, at least - initially. New features need to be illustrated with narrative - documentation in the user guide, with small code snippets. - If relevant, please also add references in the literature, with PDF links - when possible. + to take part in the maintenance for the code they submit, at least + initially. New features need to be illustrated with narrative + documentation in the user guide, with small code snippets. + If relevant, please also add references in the literature, with PDF links + when possible. 10. The user guide should also include expected time and space complexity of the algorithm and scalability, e.g. "this algorithm can scale to a large number of samples > 100000, but does not scale in dimensionality: - n_features is expected to be lower than 100". + `n_features` is expected to be lower than 100". You can also check our :ref:`code_review` to get an idea of what reviewers will expect. You can check for common programming errors with the following tools: -* Code with a good unittest coverage (at least 80%, better 100%), check - with: +* Code with a good unit test coverage (at least 80%, better 100%), check with: - .. prompt:: bash $ + .. prompt:: bash pip install pytest pytest-cov - pytest --cov sklearn path/to/tests_for_package + pytest --cov sklearn path/to/tests - see also :ref:`testing_coverage` + See also :ref:`testing_coverage`. - Run static analysis with `mypy`: +* Run static analysis with `mypy`: - .. prompt:: bash $ + .. prompt:: bash mypy sklearn - must not produce new errors in your pull request. Using `# type: ignore` + This must not produce new errors in your pull request. Using `# type: ignore` annotation can be a workaround for a few cases that are not supported by mypy, in particular, - - when importing C or Cython modules - - on properties with decorators + - when importing C or Cython modules, + - on properties with decorators. Bonus points for contributions that include a performance analysis with a benchmark script and profiling output (see :ref:`monitoring_performances`). - Also check out the :ref:`performance-howto` guide for more details on profiling and Cython optimizations. @@ -498,7 +487,7 @@ profiling and Cython optimizations. on all new contributions will get the overall code base quality in the right direction. -.. note:: +.. seealso:: For two very well documented and more detailed guides on development workflow, please pay a visit to the `Scipy Development Workflow @@ -550,9 +539,7 @@ Stalled pull requests As contributing a feature can be a lengthy process, some pull requests appear inactive but unfinished. In such a case, taking -them over is a great service for the project. - -A good etiquette to take over is: +them over is a great service for the project. A good etiquette to take over is: * **Determine if a PR is stalled** @@ -619,33 +606,32 @@ the contributor become familiar with the contribution workflow, and for the core devs to become acquainted with the contributor; besides which, we frequently underestimate how easy an issue is to solve! -.. topic:: good first issue tag +- **Good first issue tag** - A great way to start contributing to scikit-learn is to pick an item from - the list of `good first issues - `_ - in the issue tracker. Resolving these issues allow you to start contributing - to the project without much prior knowledge. If you have already contributed - to scikit-learn, you should look at Easy issues instead. + A great way to start contributing to scikit-learn is to pick an item from + the list of `good first issues + `_ + in the issue tracker. Resolving these issues allow you to start contributing + to the project without much prior knowledge. If you have already contributed + to scikit-learn, you should look at Easy issues instead. -.. topic:: Easy tag +- **Easy tag** - If you have already contributed to scikit-learn, another great way to contribute - to scikit-learn is to pick an item from the list of `Easy issues - `_ in the issue - tracker. Your assistance in this area will be greatly appreciated by the - more experienced developers as it helps free up their time to concentrate on - other issues. + If you have already contributed to scikit-learn, another great way to contribute + to scikit-learn is to pick an item from the list of `Easy issues + `_ in the issue + tracker. Your assistance in this area will be greatly appreciated by the + more experienced developers as it helps free up their time to concentrate on + other issues. -.. topic:: help wanted tag +- **Help wanted tag** - We often use the help wanted tag to mark issues regardless of difficulty. Additionally, - we use the help wanted tag to mark Pull Requests which have been abandoned - by their original contributor and are available for someone to pick up where the original - contributor left off. The list of issues with the help wanted tag can be found - `here `_. - - Note that not all issues which need contributors will have this tag. + We often use the help wanted tag to mark issues regardless of difficulty. + Additionally, we use the help wanted tag to mark Pull Requests which have been + abandoned by their original contributor and are available for someone to pick up where + the original contributor left off. The list of issues with the help wanted tag can be + found `here `_. + Note that not all issues which need contributors will have this tag. .. _contribute_documentation: @@ -654,244 +640,238 @@ Documentation We are glad to accept any sort of documentation: -* **function/method/class docstrings** (also known as "API documentation") - - these describe what the object does and details any parameters, attributes and - methods. Docstrings live alongside the code in - `sklearn/ `_. -* **user guide** - these provide more detailed information about the algorithms +* **Function/method/class docstrings:** Also known as "API documentation", these + describe what the object does and details any parameters, attributes and + methods. Docstrings live alongside the code in `sklearn/ + `_, and are generated + generated according to `doc/api_reference.py + `_. To + add, update, remove, or deprecate a public API that is listed in :ref:`api_ref`, this + is the place to look at. +* **User guide:** These provide more detailed information about the algorithms implemented in scikit-learn and generally live in the root `doc/ `_ directory - and - `doc/modules/ `_. -* **tutorials** - these introduce various statistical learning and machine learning + and `doc/modules/ `_. +* **Tutorials:** These introduce various statistical learning and machine learning concepts and are located in `doc/tutorial `_. -* **examples** - these provide full code examples that may demonstrate the use +* **Examples:** These provide full code examples that may demonstrate the use of scikit-learn modules, compare different algorithms or discuss their - interpretation etc. Examples live in - `examples/ `_ -* **other reStructuredText documents** - provide various other - useful information (e.g., the :ref:`contributing` guide) and live in + interpretation, etc. Examples live in + `examples/ `_. +* **Other reStructuredText documents:** These provide various other useful information + (e.g., the :ref:`contributing` guide) and live in `doc/ `_. -|details-start| -**Guidelines for writing docstrings** -|details-split| -* When documenting the parameters and attributes, here is a list of some - well-formatted examples:: +.. dropdown:: Guidelines for writing docstrings - n_clusters : int, default=3 - The number of clusters detected by the algorithm. + * When documenting the parameters and attributes, here is a list of some + well-formatted examples - some_param : {'hello', 'goodbye'}, bool or int, default=True - The parameter description goes here, which can be either a string - literal (either `hello` or `goodbye`), a bool, or an int. The default - value is True. + .. code-block:: text - array_parameter : {array-like, sparse matrix} of shape (n_samples, n_features) or (n_samples,) - This parameter accepts data in either of the mentioned forms, with one - of the mentioned shapes. The default value is - `np.ones(shape=(n_samples,))`. + n_clusters : int, default=3 + The number of clusters detected by the algorithm. - list_param : list of int + some_param : {"hello", "goodbye"}, bool or int, default=True + The parameter description goes here, which can be either a string + literal (either `hello` or `goodbye`), a bool, or an int. The default + value is True. - typed_ndarray : ndarray of shape (n_samples,), dtype=np.int32 + array_parameter : {array-like, sparse matrix} of shape (n_samples, n_features) \ + or (n_samples,) + This parameter accepts data in either of the mentioned forms, with one + of the mentioned shapes. The default value is `np.ones(shape=(n_samples,))`. - sample_weight : array-like of shape (n_samples,), default=None + list_param : list of int - multioutput_array : ndarray of shape (n_samples, n_classes) or list of such arrays + typed_ndarray : ndarray of shape (n_samples,), dtype=np.int32 - In general have the following in mind: + sample_weight : array-like of shape (n_samples,), default=None - * Use Python basic types. (``bool`` instead of ``boolean``) - * Use parenthesis for defining shapes: ``array-like of shape (n_samples,)`` - or ``array-like of shape (n_samples, n_features)`` - * For strings with multiple options, use brackets: ``input: {'log', - 'squared', 'multinomial'}`` - * 1D or 2D data can be a subset of ``{array-like, ndarray, sparse matrix, - dataframe}``. Note that ``array-like`` can also be a ``list``, while - ``ndarray`` is explicitly only a ``numpy.ndarray``. - * Specify ``dataframe`` when "frame-like" features are being used, such as - the column names. - * When specifying the data type of a list, use ``of`` as a delimiter: ``list - of int``. When the parameter supports arrays giving details about the - shape and/or data type and a list of such arrays, you can use one of - ``array-like of shape (n_samples,) or list of such arrays``. - * When specifying the dtype of an ndarray, use e.g. ``dtype=np.int32`` after - defining the shape: ``ndarray of shape (n_samples,), dtype=np.int32``. You - can specify multiple dtype as a set: ``array-like of shape (n_samples,), - dtype={np.float64, np.float32}``. If one wants to mention arbitrary - precision, use `integral` and `floating` rather than the Python dtype - `int` and `float`. When both `int` and `floating` are supported, there is - no need to specify the dtype. - * When the default is ``None``, ``None`` only needs to be specified at the - end with ``default=None``. Be sure to include in the docstring, what it - means for the parameter or attribute to be ``None``. + multioutput_array : ndarray of shape (n_samples, n_classes) or list of such arrays -* Add "See Also" in docstrings for related classes/functions. + In general have the following in mind: -* "See Also" in docstrings should be one line per reference, with a colon and an - explanation, for example:: + * Use Python basic types. (``bool`` instead of ``boolean``) + * Use parenthesis for defining shapes: ``array-like of shape (n_samples,)`` + or ``array-like of shape (n_samples, n_features)`` + * For strings with multiple options, use brackets: ``input: {'log', + 'squared', 'multinomial'}`` + * 1D or 2D data can be a subset of ``{array-like, ndarray, sparse matrix, + dataframe}``. Note that ``array-like`` can also be a ``list``, while + ``ndarray`` is explicitly only a ``numpy.ndarray``. + * Specify ``dataframe`` when "frame-like" features are being used, such as + the column names. + * When specifying the data type of a list, use ``of`` as a delimiter: ``list + of int``. When the parameter supports arrays giving details about the + shape and/or data type and a list of such arrays, you can use one of + ``array-like of shape (n_samples,) or list of such arrays``. + * When specifying the dtype of an ndarray, use e.g. ``dtype=np.int32`` after + defining the shape: ``ndarray of shape (n_samples,), dtype=np.int32``. You + can specify multiple dtype as a set: ``array-like of shape (n_samples,), + dtype={np.float64, np.float32}``. If one wants to mention arbitrary + precision, use `integral` and `floating` rather than the Python dtype + `int` and `float`. When both `int` and `floating` are supported, there is + no need to specify the dtype. + * When the default is ``None``, ``None`` only needs to be specified at the + end with ``default=None``. Be sure to include in the docstring, what it + means for the parameter or attribute to be ``None``. - See Also - -------- - SelectKBest : Select features based on the k highest scores. - SelectFpr : Select features based on a false positive rate test. + * Add "See Also" in docstrings for related classes/functions. -* Add one or two snippets of code in "Example" section to show how it can be used. + * "See Also" in docstrings should be one line per reference, with a colon and an + explanation, for example: -|details-end| + .. code-block:: text -|details-start| -**Guidelines for writing the user guide and other reStructuredText documents** -|details-split| + See Also + -------- + SelectKBest : Select features based on the k highest scores. + SelectFpr : Select features based on a false positive rate test. -It is important to keep a good compromise between mathematical and algorithmic -details, and give intuition to the reader on what the algorithm does. + * Add one or two snippets of code in "Example" section to show how it can be used. -* Begin with a concise, hand-waving explanation of what the algorithm/code does on - the data. -* Highlight the usefulness of the feature and its recommended application. - Consider including the algorithm's complexity - (:math:`O\left(g\left(n\right)\right)`) if available, as "rules of thumb" can - be very machine-dependent. Only if those complexities are not available, then - rules of thumb may be provided instead. +.. dropdown:: Guidelines for writing the user guide and other reStructuredText documents -* Incorporate a relevant figure (generated from an example) to provide intuitions. + It is important to keep a good compromise between mathematical and algorithmic + details, and give intuition to the reader on what the algorithm does. -* Include one or two short code examples to demonstrate the feature's usage. + * Begin with a concise, hand-waving explanation of what the algorithm/code does on + the data. -* Introduce any necessary mathematical equations, followed by references. By - deferring the mathematical aspects, the documentation becomes more accessible - to users primarily interested in understanding the feature's practical - implications rather than its underlying mechanics. + * Highlight the usefulness of the feature and its recommended application. + Consider including the algorithm's complexity + (:math:`O\left(g\left(n\right)\right)`) if available, as "rules of thumb" can + be very machine-dependent. Only if those complexities are not available, then + rules of thumb may be provided instead. -* When editing reStructuredText (``.rst``) files, try to keep line length under - 88 characters when possible (exceptions include links and tables). + * Incorporate a relevant figure (generated from an example) to provide intuitions. -* In scikit-learn reStructuredText files both single and double backticks - surrounding text will render as inline literal (often used for code, e.g., - `list`). This is due to specific configurations we have set. Single - backticks should be used nowadays. + * Include one or two short code examples to demonstrate the feature's usage. -* Too much information makes it difficult for users to access the content they - are interested in. Use dropdowns to factorize it by using the following - syntax:: + * Introduce any necessary mathematical equations, followed by references. By + deferring the mathematical aspects, the documentation becomes more accessible + to users primarily interested in understanding the feature's practical + implications rather than its underlying mechanics. - |details-start| - **Dropdown title** - |details-split| + * When editing reStructuredText (``.rst``) files, try to keep line length under + 88 characters when possible (exceptions include links and tables). - Dropdown content. + * In scikit-learn reStructuredText files both single and double backticks + surrounding text will render as inline literal (often used for code, e.g., + `list`). This is due to specific configurations we have set. Single + backticks should be used nowadays. - |details-end| + * Too much information makes it difficult for users to access the content they + are interested in. Use dropdowns to factorize it by using the following syntax - The snippet above will result in the following dropdown: + .. code-block:: rst - |details-start| - **Dropdown title** - |details-split| + .. dropdown:: Dropdown title - Dropdown content. + Dropdown content. - |details-end| + The snippet above will result in the following dropdown: -* Information that can be hidden by default using dropdowns is: + .. dropdown:: Dropdown title - * low hierarchy sections such as `References`, `Properties`, etc. (see for - instance the subsections in :ref:`det_curve`); + Dropdown content. - * in-depth mathematical details; + * Information that can be hidden by default using dropdowns is: - * narrative that is use-case specific; + * low hierarchy sections such as `References`, `Properties`, etc. (see for + instance the subsections in :ref:`det_curve`); - * in general, narrative that may only interest users that want to go beyond - the pragmatics of a given tool. + * in-depth mathematical details; -* Do not use dropdowns for the low level section `Examples`, as it should stay - visible to all users. Make sure that the `Examples` section comes right after - the main discussion with the least possible folded section in-between. + * narrative that is use-case specific; -* Be aware that dropdowns break cross-references. If that makes sense, hide the - reference along with the text mentioning it. Else, do not use dropdown. + * in general, narrative that may only interest users that want to go beyond + the pragmatics of a given tool. -|details-end| + * Do not use dropdowns for the low level section `Examples`, as it should stay + visible to all users. Make sure that the `Examples` section comes right after + the main discussion with the least possible folded section in-between. + * Be aware that dropdowns break cross-references. If that makes sense, hide the + reference along with the text mentioning it. Else, do not use dropdown. -|details-start| -**Guidelines for writing references** -|details-split| -* When bibliographic references are available with `arxiv `_ - or `Digital Object Identifier `_ identification numbers, - use the sphinx directives `:arxiv:` or `:doi:`. For example, see references in - :ref:`Spectral Clustering Graphs `. +.. dropdown:: Guidelines for writing references -* For "References" in docstrings, see the Silhouette Coefficient - (:func:`sklearn.metrics.silhouette_score`). + * When bibliographic references are available with `arxiv `_ + or `Digital Object Identifier `_ identification numbers, + use the sphinx directives `:arxiv:` or `:doi:`. For example, see references in + :ref:`Spectral Clustering Graphs `. -* To cross-reference to other pages in the scikit-learn documentation use the - reStructuredText cross-referencing syntax: + * For the "References" section in docstrings, see + :func:`sklearn.metrics.silhouette_score` as an example. - * Section - to link to an arbitrary section in the documentation, use - reference labels (see `Sphinx docs - `_). - For example: + * To cross-reference to other pages in the scikit-learn documentation use the + reStructuredText cross-referencing syntax: - .. code-block:: rst + * **Section:** to link to an arbitrary section in the documentation, use + reference labels (see `Sphinx docs + `_). + For example: - .. _my-section: + .. code-block:: rst - My section - ---------- + .. _my-section: - This is the text of the section. + My section + ---------- - To refer to itself use :ref:`my-section`. + This is the text of the section. - You should not modify existing sphinx reference labels as this would break - existing cross references and external links pointing to specific sections - in the scikit-learn documentation. + To refer to itself use :ref:`my-section`. - * Glossary - linking to a term in the :ref:`glossary`: + You should not modify existing sphinx reference labels as this would break + existing cross references and external links pointing to specific sections + in the scikit-learn documentation. - .. code-block:: rst + * **Glossary:** linking to a term in the :ref:`glossary`: - :term:`cross_validation` + .. code-block:: rst - * Function - to link to the documentation of a function, use the full import - path to the function: + :term:`cross_validation` - .. code-block:: rst + * **Function:** to link to the documentation of a function, use the full import + path to the function: - :func:`~sklearn.model_selection.cross_val_score` + .. code-block:: rst - However, if there is a `.. currentmodule::` directive above you in the document, - you will only need to use the path to the function succeeding the current - module specified. For example: + :func:`~sklearn.model_selection.cross_val_score` - .. code-block:: rst + However, if there is a `.. currentmodule::` directive above you in the document, + you will only need to use the path to the function succeeding the current + module specified. For example: - .. currentmodule:: sklearn.model_selection + .. code-block:: rst - :func:`cross_val_score` + .. currentmodule:: sklearn.model_selection - * Class - to link to documentation of a class, use the full import path to the - class, unless there is a 'currentmodule' directive in the document above - (see above): + :func:`cross_val_score` - .. code-block:: rst + * **Class:** to link to documentation of a class, use the full import path to the + class, unless there is a `.. currentmodule::` directive in the document above + (see above): - :class:`~sklearn.preprocessing.StandardScaler` + .. code-block:: rst -|details-end| + :class:`~sklearn.preprocessing.StandardScaler` You can edit the documentation using any text editor, and then generate the HTML output by following :ref:`building_documentation`. The resulting HTML files -will be placed in ``_build/html/stable`` and are viewable in a web browser, for -instance by opening the local ``_build/html/stable/index.html`` file. +will be placed in ``_build/html/`` and are viewable in a web browser, for instance by +opening the local ``_build/html/index.html`` file or by running a local server + +.. prompt:: bash + + python -m http.server -d _build/html .. _building_documentation: @@ -902,30 +882,31 @@ Building the documentation **Before submitting a pull request check if your modifications have introduced new sphinx warnings by building the documentation locally and try to fix them.** -First, make sure you have :ref:`properly installed ` -the development version. +First, make sure you have :ref:`properly installed ` the +development version. On top of that, building the documentation requires installing some +additional packages: .. packaging is not needed once setuptools starts shipping packaging>=17.0 -Building the documentation requires installing some additional packages: - -.. prompt:: bash $ +.. prompt:: bash pip install sphinx sphinx-gallery numpydoc matplotlib Pillow pandas \ polars scikit-image packaging seaborn sphinx-prompt \ - sphinxext-opengraph sphinx-copybutton plotly pooch + sphinxext-opengraph sphinx-copybutton plotly pooch \ + pydata-sphinx-theme sphinxcontrib-sass sphinx-design \ + sphinx-remove-toctrees To build the documentation, you need to be in the ``doc`` folder: -.. prompt:: bash $ +.. prompt:: bash cd doc In the vast majority of cases, you only need to generate the full web site, without the example gallery: -.. prompt:: bash $ +.. prompt:: bash make @@ -934,29 +915,27 @@ and are viewable in a web browser, for instance by opening the local ``_build/html/stable/index.html`` file. To also generate the example gallery you can use: -.. prompt:: bash $ +.. prompt:: bash make html -This will run all the examples, which takes a while. If you only want to -generate a few examples, you can use: +This will run all the examples, which takes a while. If you only want to generate a few +examples, which is particularly useful if you are modifying only a few examples, you can +use: -.. prompt:: bash $ +.. prompt:: bash EXAMPLES_PATTERN=your_regex_goes_here make html -This is particularly useful if you are modifying a few examples. - -Set the environment variable `NO_MATHJAX=1` if you intend to view -the documentation in an offline setting. - -To build the PDF manual, run: +Set the environment variable `NO_MATHJAX=1` if you intend to view the documentation in +an offline setting. To build the PDF manual, run: -.. prompt:: bash $ +.. prompt:: bash make latexpdf -.. warning:: **Sphinx version** +.. admonition:: Sphinx version + :class: warning While we do our best to have the documentation build under as many versions of Sphinx as possible, the different versions tend to @@ -997,45 +976,36 @@ subpackages. For a more detailed `pytest` workflow, please refer to the We expect code coverage of new features to be at least around 90%. -|details-start| -**Writing matplotlib related tests** -|details-split| - -Test fixtures ensure that a set of tests will be executing with the appropriate -initialization and cleanup. The scikit-learn test suite implements a fixture -which can be used with ``matplotlib``. - -``pyplot`` - The ``pyplot`` fixture should be used when a test function is dealing with - ``matplotlib``. ``matplotlib`` is a soft dependency and is not required. - This fixture is in charge of skipping the tests if ``matplotlib`` is not - installed. In addition, figures created during the tests will be - automatically closed once the test function has been executed. +.. dropdown:: Writing matplotlib-related tests -To use this fixture in a test function, one needs to pass it as an -argument:: + Test fixtures ensure that a set of tests will be executing with the appropriate + initialization and cleanup. The scikit-learn test suite implements a ``pyplot`` + fixture which can be used with ``matplotlib``. - def test_requiring_mpl_fixture(pyplot): - # you can now safely use matplotlib + The ``pyplot`` fixture should be used when a test function is dealing with + ``matplotlib``. ``matplotlib`` is a soft dependency and is not required. + This fixture is in charge of skipping the tests if ``matplotlib`` is not + installed. In addition, figures created during the tests will be + automatically closed once the test function has been executed. -|details-end| + To use this fixture in a test function, one needs to pass it as an + argument:: -|details-start| -**Workflow to improve test coverage** -|details-split| + def test_requiring_mpl_fixture(pyplot): + # you can now safely use matplotlib -To test code coverage, you need to install the `coverage -`_ package in addition to pytest. +.. dropdown:: Workflow to improve test coverage -1. Run 'make test-coverage'. The output lists for each file the line - numbers that are not tested. + To test code coverage, you need to install the `coverage + `_ package in addition to `pytest`. -2. Find a low hanging fruit, looking at which lines are not tested, - write or adapt a test specifically for these lines. + 1. Run `make test-coverage`. The output lists for each file the line + numbers that are not tested. -3. Loop. + 2. Find a low hanging fruit, looking at which lines are not tested, + write or adapt a test specifically for these lines. -|details-end| + 3. Loop. .. _monitoring_performances: @@ -1049,8 +1019,9 @@ When proposing changes to the existing code base, it's important to make sure that they don't introduce performance regressions. Scikit-learn uses `asv benchmarks `_ to monitor the performance of a selection of common estimators and functions. You can view -these benchmarks on the `scikit-learn benchmark page `_. -The corresponding benchmark suite can be found in the `scikit-learn/asv_benchmarks` directory. +these benchmarks on the `scikit-learn benchmark page +`_. +The corresponding benchmark suite can be found in the `asv_benchmarks/` directory. To use all features of asv, you will need either `conda` or `virtualenv`. For more details please check the `asv installation webpage @@ -1058,20 +1029,20 @@ more details please check the `asv installation webpage First of all you need to install the development version of asv: -.. prompt:: bash $ +.. prompt:: bash pip install git+https://github.com/airspeed-velocity/asv and change your directory to `asv_benchmarks/`: -.. prompt:: bash $ +.. prompt:: bash - cd asv_benchmarks/ + cd asv_benchmarks The benchmark suite is configured to run against your local clone of scikit-learn. Make sure it is up to date: -.. prompt:: bash $ +.. prompt:: bash git fetch upstream @@ -1079,20 +1050,20 @@ In the benchmark suite, the benchmarks are organized following the same structure as scikit-learn. For example, you can compare the performance of a specific estimator between ``upstream/main`` and the branch you are working on: -.. prompt:: bash $ +.. prompt:: bash asv continuous -b LogisticRegression upstream/main HEAD The command uses conda by default for creating the benchmark environments. If you want to use virtualenv instead, use the `-E` flag: -.. prompt:: bash $ +.. prompt:: bash asv continuous -E virtualenv -b LogisticRegression upstream/main HEAD You can also specify a whole module to benchmark: -.. prompt:: bash $ +.. prompt:: bash asv continuous -b linear_model upstream/main HEAD @@ -1102,7 +1073,7 @@ the `-f` flag. To run the full benchmark suite, simply remove the `-b` flag : -.. prompt:: bash $ +.. prompt:: bash asv continuous upstream/main HEAD @@ -1112,14 +1083,14 @@ expression for a more complex subset of benchmarks to run. To run the benchmarks without comparing to another branch, use the `run` command: -.. prompt:: bash $ +.. prompt:: bash asv run -b linear_model HEAD^! You can also run the benchmark suite using the version of scikit-learn already installed in your current Python environment: -.. prompt:: bash $ +.. prompt:: bash asv run --python=same @@ -1128,20 +1099,20 @@ avoid creating a new environment each time you run the benchmarks. By default the results are not saved when using an existing installation. To save the results you must specify a commit hash: -.. prompt:: bash $ +.. prompt:: bash asv run --python=same --set-commit-hash= Benchmarks are saved and organized by machine, environment and commit. To see the list of all saved benchmarks: -.. prompt:: bash $ +.. prompt:: bash asv show and to see the report of a specific run: -.. prompt:: bash $ +.. prompt:: bash asv show @@ -1164,11 +1135,11 @@ All issues and pull requests on the `GitHub issue tracker `_ should have (at least) one of the following tags: -:Bug / Crash: +:Bug: Something is happening that clearly shouldn't happen. Wrong results as well as unexpected errors from estimators go here. -:Cleanup / Enhancement: +:Enhancement: Improving performance, usability, consistency. :Documentation: @@ -1179,7 +1150,7 @@ should have (at least) one of the following tags: There are four other tags to help new contributors: -:good first issue: +:Good first issue: This issue is ideal for a first contribution to scikit-learn. Ask for help if the formulation is unclear. If you have already contributed to scikit-learn, look at Easy issues instead. @@ -1191,7 +1162,7 @@ There are four other tags to help new contributors: Might need some knowledge of machine learning or the package, but is still approachable for someone new to the project. -:help wanted: +:Help wanted: This tag marks an issue which currently lacks a contributor or a PR that needs another contributor to take over the work. These issues can range in difficulty, and may not be approachable @@ -1208,12 +1179,15 @@ Maintaining backwards compatibility Deprecation ----------- -If any publicly accessible method, function, attribute or parameter -is renamed, we still support the old one for two releases and issue -a deprecation warning when it is called/passed/accessed. -E.g., if the function ``zero_one`` is renamed to ``zero_one_loss``, -we add the decorator ``deprecated`` (from ``sklearn.utils``) -to ``zero_one`` and call ``zero_one_loss`` from that function:: +If any publicly accessible class, function, method, attribute or parameter is renamed, +we still support the old one for two releases and issue a deprecation warning when it is +called, passed, or accessed. + +.. rubric:: Deprecating a class or a function + +Suppose the function ``zero_one`` is renamed to ``zero_one_loss``, we add the decorator +:class:`utils.deprecated` to ``zero_one`` and call ``zero_one_loss`` from that +function:: from ..utils import deprecated @@ -1221,36 +1195,47 @@ to ``zero_one`` and call ``zero_one_loss`` from that function:: # actual implementation pass - @deprecated("Function 'zero_one' was renamed to 'zero_one_loss' " - "in version 0.13 and will be removed in release 0.15. " - "Default behavior is changed from 'normalize=False' to " - "'normalize=True'") + @deprecated( + "Function `zero_one` was renamed to `zero_one_loss` in 0.13 and will be " + "removed in 0.15. Default behavior is changed from `normalize=False` to " + "`normalize=True`" + ) def zero_one(y_true, y_pred, normalize=False): return zero_one_loss(y_true, y_pred, normalize) -If an attribute is to be deprecated, -use the decorator ``deprecated`` on a property. Please note that the -``deprecated`` decorator should be placed before the ``property`` -decorator for the docstrings to be rendered properly. -E.g., renaming an attribute ``labels_`` to ``classes_`` can be done as:: +One also needs to move ``zero_one`` from ``API_REFERENCE`` to +``DEPRECATED_API_REFERENCE`` and add ``zero_one_loss`` to ``API_REFERENCE`` in the +``doc/api_reference.py`` file to reflect the changes in :ref:`api_ref`. + +.. rubric:: Deprecating an attribute or a method + +If an attribute or a method is to be deprecated, use the decorator +:class:`~utils.deprecated` on the property. Please note that the +:class:`~utils.deprecated` decorator should be placed before the ``property`` decorator +if there is one, so that the docstrings can be rendered properly. For instance, renaming +an attribute ``labels_`` to ``classes_`` can be done as:: - @deprecated("Attribute `labels_` was deprecated in version 0.13 and " - "will be removed in 0.15. Use `classes_` instead") + @deprecated( + "Attribute `labels_` was deprecated in 0.13 and will be removed in 0.15. Use " + "`classes_` instead" + ) @property def labels_(self): return self.classes_ -If a parameter has to be deprecated, a ``FutureWarning`` warning -must be raised too. -In the following example, k is deprecated and renamed to n_clusters:: +.. rubric:: Deprecating a parameter + +If a parameter has to be deprecated, a ``FutureWarning`` warning must be raised +manually. In the following example, ``k`` is deprecated and renamed to n_clusters:: import warnings - def example_function(n_clusters=8, k='deprecated'): - if k != 'deprecated': - warnings.warn("'k' was renamed to n_clusters in version 0.13 and " - "will be removed in 0.15.", - FutureWarning) + def example_function(n_clusters=8, k="deprecated"): + if k != "deprecated": + warnings.warn( + "`k` was renamed to `n_clusters` in 0.13 and will be removed in 0.15", + FutureWarning, + ) n_clusters = k When the change is in a class, we validate and raise warning in ``fit``:: @@ -1263,10 +1248,11 @@ When the change is in a class, we validate and raise warning in ``fit``:: self.k = k def fit(self, X, y): - if self.k != 'deprecated': - warnings.warn("'k' was renamed to n_clusters in version 0.13 and " - "will be removed in 0.15.", - FutureWarning) + if self.k != "deprecated": + warnings.warn( + "`k` was renamed to `n_clusters` in 0.13 and will be removed in 0.15.", + FutureWarning, + ) self._n_clusters = self.k else: self._n_clusters = self.n_clusters @@ -1280,9 +1266,14 @@ adapt their code to the new behaviour. For example, if the deprecation happened in version 0.18-dev, the message should say it happened in version 0.18 and the old behavior will be removed in version 0.20. +The warning message should also include a brief explanation of the change and point +users to an alternative. + In addition, a deprecation note should be added in the docstring, recalling the same information as the deprecation warning as explained above. Use the -``.. deprecated::`` directive:: +``.. deprecated::`` directive: + +.. code-block:: rst .. deprecated:: 0.13 ``k`` was renamed to ``n_clusters`` in version 0.13 and will be removed @@ -1298,7 +1289,7 @@ Change the default value of a parameter --------------------------------------- If the default value of a parameter needs to be changed, please replace the -default value with a specific value (e.g., ``warn``) and raise +default value with a specific value (e.g., ``"warn"``) and raise ``FutureWarning`` when users are using the default value. The following example assumes that the current version is 0.20 and that we change the default value of ``n_clusters`` from 5 (old default for 0.20) to 10 @@ -1306,10 +1297,12 @@ default value of ``n_clusters`` from 5 (old default for 0.20) to 10 import warnings - def example_function(n_clusters='warn'): - if n_clusters == 'warn': - warnings.warn("The default value of n_clusters will change from " - "5 to 10 in 0.22.", FutureWarning) + def example_function(n_clusters="warn"): + if n_clusters == "warn": + warnings.warn( + "The default value of `n_clusters` will change from 5 to 10 in 0.22.", + FutureWarning, + ) n_clusters = 5 When the change is in a class, we validate and raise warning in ``fit``:: @@ -1317,22 +1310,26 @@ When the change is in a class, we validate and raise warning in ``fit``:: import warnings class ExampleEstimator: - def __init__(self, n_clusters='warn'): + def __init__(self, n_clusters="warn"): self.n_clusters = n_clusters def fit(self, X, y): - if self.n_clusters == 'warn': - warnings.warn("The default value of n_clusters will change from " - "5 to 10 in 0.22.", FutureWarning) - self._n_clusters = 5 + if self.n_clusters == "warn": + warnings.warn( + "The default value of `n_clusters` will change from 5 to 10 in 0.22.", + FutureWarning, + ) + self._n_clusters = 5 Similar to deprecations, the warning message should always give both the version in which the change happened and the version in which the old behavior will be removed. The parameter description in the docstring needs to be updated accordingly by adding -a `versionchanged` directive with the old and new default value, pointing to the -version when the change will be effective:: +a ``versionchanged`` directive with the old and new default value, pointing to the +version when the change will be effective: + +.. code-block:: rst .. versionchanged:: 0.22 The default value for `n_clusters` will change from 5 to 10 in version 0.22. @@ -1342,12 +1339,11 @@ not in other cases. The warning should be caught in all other tests (using e.g., ``@pytest.mark.filterwarnings``), and there should be no warning in the examples. -.. currentmodule:: sklearn - .. _code_review: Code Review Guidelines ====================== + Reviewing code contributed to the project as PRs is a crucial component of scikit-learn development. We encourage anyone to start reviewing code of other developers. The code review process is often highly educational for everybody @@ -1365,95 +1361,87 @@ up this process by providing your feedback. retraction. Regarding docs: typos, grammar issues and disambiguations are better addressed immediately. -|details-start| -**Important aspects to be covered in any code review** -|details-split| +.. dropdown:: Important aspects to be covered in any code review -Here are a few important aspects that need to be covered in any code review, -from high-level questions to a more detailed check-list. + Here are a few important aspects that need to be covered in any code review, + from high-level questions to a more detailed check-list. -- Do we want this in the library? Is it likely to be used? Do you, as - a scikit-learn user, like the change and intend to use it? Is it in - the scope of scikit-learn? Will the cost of maintaining a new - feature be worth its benefits? + - Do we want this in the library? Is it likely to be used? Do you, as + a scikit-learn user, like the change and intend to use it? Is it in + the scope of scikit-learn? Will the cost of maintaining a new + feature be worth its benefits? -- Is the code consistent with the API of scikit-learn? Are public - functions/classes/parameters well named and intuitively designed? + - Is the code consistent with the API of scikit-learn? Are public + functions/classes/parameters well named and intuitively designed? -- Are all public functions/classes and their parameters, return types, and - stored attributes named according to scikit-learn conventions and documented clearly? + - Are all public functions/classes and their parameters, return types, and + stored attributes named according to scikit-learn conventions and documented clearly? -- Is any new functionality described in the user-guide and illustrated with examples? + - Is any new functionality described in the user-guide and illustrated with examples? -- Is every public function/class tested? Are a reasonable set of - parameters, their values, value types, and combinations tested? Do - the tests validate that the code is correct, i.e. doing what the - documentation says it does? If the change is a bug-fix, is a - non-regression test included? Look at `this - `__ - to get started with testing in Python. + - Is every public function/class tested? Are a reasonable set of + parameters, their values, value types, and combinations tested? Do + the tests validate that the code is correct, i.e. doing what the + documentation says it does? If the change is a bug-fix, is a + non-regression test included? Look at `this + `__ + to get started with testing in Python. -- Do the tests pass in the continuous integration build? If - appropriate, help the contributor understand why tests failed. + - Do the tests pass in the continuous integration build? If + appropriate, help the contributor understand why tests failed. -- Do the tests cover every line of code (see the coverage report in the build - log)? If not, are the lines missing coverage good exceptions? + - Do the tests cover every line of code (see the coverage report in the build + log)? If not, are the lines missing coverage good exceptions? -- Is the code easy to read and low on redundancy? Should variable names be - improved for clarity or consistency? Should comments be added? Should comments - be removed as unhelpful or extraneous? + - Is the code easy to read and low on redundancy? Should variable names be + improved for clarity or consistency? Should comments be added? Should comments + be removed as unhelpful or extraneous? -- Could the code easily be rewritten to run much more efficiently for - relevant settings? + - Could the code easily be rewritten to run much more efficiently for + relevant settings? -- Is the code backwards compatible with previous versions? (or is a - deprecation cycle necessary?) + - Is the code backwards compatible with previous versions? (or is a + deprecation cycle necessary?) -- Will the new code add any dependencies on other libraries? (this is - unlikely to be accepted) + - Will the new code add any dependencies on other libraries? (this is + unlikely to be accepted) -- Does the documentation render properly (see the - :ref:`contribute_documentation` section for more details), and are the plots - instructive? + - Does the documentation render properly (see the + :ref:`contribute_documentation` section for more details), and are the plots + instructive? -:ref:`saved_replies` includes some frequent comments that reviewers may make. - -|details-end| + :ref:`saved_replies` includes some frequent comments that reviewers may make. .. _communication: -|details-start| -**Communication Guidelines** -|details-split| - -Reviewing open pull requests (PRs) helps move the project forward. It is a -great way to get familiar with the codebase and should motivate the -contributor to keep involved in the project. [1]_ +.. dropdown:: Communication Guidelines -- Every PR, good or bad, is an act of generosity. Opening with a positive - comment will help the author feel rewarded, and your subsequent remarks may - be heard more clearly. You may feel good also. -- Begin if possible with the large issues, so the author knows they've been - understood. Resist the temptation to immediately go line by line, or to open - with small pervasive issues. -- Do not let perfect be the enemy of the good. If you find yourself making - many small suggestions that don't fall into the :ref:`code_review`, consider - the following approaches: + Reviewing open pull requests (PRs) helps move the project forward. It is a + great way to get familiar with the codebase and should motivate the + contributor to keep involved in the project. [1]_ - - refrain from submitting these; - - prefix them as "Nit" so that the contributor knows it's OK not to address; - - follow up in a subsequent PR, out of courtesy, you may want to let the - original contributor know. + - Every PR, good or bad, is an act of generosity. Opening with a positive + comment will help the author feel rewarded, and your subsequent remarks may + be heard more clearly. You may feel good also. + - Begin if possible with the large issues, so the author knows they've been + understood. Resist the temptation to immediately go line by line, or to open + with small pervasive issues. + - Do not let perfect be the enemy of the good. If you find yourself making + many small suggestions that don't fall into the :ref:`code_review`, consider + the following approaches: -- Do not rush, take the time to make your comments clear and justify your - suggestions. -- You are the face of the project. Bad days occur to everyone, in that - occasion you deserve a break: try to take your time and stay offline. + - refrain from submitting these; + - prefix them as "Nit" so that the contributor knows it's OK not to address; + - follow up in a subsequent PR, out of courtesy, you may want to let the + original contributor know. -.. [1] Adapted from the numpy `communication guidelines - `_. + - Do not rush, take the time to make your comments clear and justify your + suggestions. + - You are the face of the project. Bad days occur to everyone, in that + occasion you deserve a break: try to take your time and stay offline. -|details-end| + .. [1] Adapted from the numpy `communication guidelines + `_. Reading the existing code base ============================== @@ -1474,9 +1462,9 @@ make this task easier and faster (in no particular order). relevant, and which are not. In scikit-learn **a lot** of input checking is performed, especially at the beginning of the :term:`fit` methods. Sometimes, only a very small portion of the code is doing the actual job. - For example looking at the ``fit()`` method of + For example looking at the :meth:`~linear_model.LinearRegression.fit` method of :class:`~linear_model.LinearRegression`, what you're looking for - might just be the call the ``scipy.linalg.lstsq``, but it is buried into + might just be the call the :func:`scipy.linalg.lstsq`, but it is buried into multiple lines of input checking and the handling of different kinds of parameters. - Due to the use of `Inheritance @@ -1506,7 +1494,7 @@ make this task easier and faster (in no particular order). IDE goes a long way towards digesting the code base. Being able to quickly jump (or *peek*) to a function/class/attribute definition helps a lot. So does being able to quickly see where a given name is used in a file. - - `git `_ also has some built-in killer + - `Git `_ also has some built-in killer features. It is often useful to understand how a file changed over time, using e.g. ``git blame`` (`manual `_). This can also be done directly @@ -1518,7 +1506,7 @@ make this task easier and faster (in no particular order). - Configure `git blame` to ignore the commit that migrated the code style to `black`. - .. prompt:: bash $ + .. prompt:: bash git config blame.ignoreRevsFile .git-blame-ignore-revs diff --git a/doc/developers/cython.rst b/doc/developers/cython.rst index e98501879d50e..82022ddcbcc56 100644 --- a/doc/developers/cython.rst +++ b/doc/developers/cython.rst @@ -141,3 +141,16 @@ must be ``cimported`` from this module and not from the OpenMP library directly: The parallel loop, `prange`, is already protected by cython and can be used directly from `cython.parallel`. + +Types +~~~~~ + +Cython code requires to use explicit types. This is one of the reasons you get a +performance boost. In order to avoid code duplication, we have a central place +for the most used types in +`sklearn/utils/_typedefs.pyd `_. +Ideally you start by having a look there and `cimport` types you need, for example + +.. code-block:: cython + + from sklear.utils._typedefs cimport float32, float64 diff --git a/doc/developers/develop.rst b/doc/developers/develop.rst index f22c217203ac2..97cb156da5812 100644 --- a/doc/developers/develop.rst +++ b/doc/developers/develop.rst @@ -54,7 +54,7 @@ multiple interfaces): :Transformer: - For modifying the data in a supervised or unsupervised way (e.g. by adding, changing, + For modifying the data in a supervised or unsupervised way (e.g. by adding, changing, or removing columns, but not by adding or removing rows). Implements:: new_data = transformer.transform(data) @@ -282,12 +282,16 @@ the correct interface more easily. in the scikit-learn-contrib `project template `__. + It is particularly important to notice that mixins should be "on the left" while + the ``BaseEstimator`` should be "on the right" in the inheritance list for proper + MRO. + >>> import numpy as np >>> from sklearn.base import BaseEstimator, ClassifierMixin >>> from sklearn.utils.validation import check_X_y, check_array, check_is_fitted >>> from sklearn.utils.multiclass import unique_labels >>> from sklearn.metrics import euclidean_distances - >>> class TemplateClassifier(BaseEstimator, ClassifierMixin): + >>> class TemplateClassifier(ClassifierMixin, BaseEstimator): ... ... def __init__(self, demo_param='demo'): ... self.demo_param = demo_param @@ -349,7 +353,7 @@ The parameter `deep` will control whether or not the parameters of the subestimator__intercept_scaling -> 1 subestimator__l1_ratio -> None subestimator__max_iter -> 100 - subestimator__multi_class -> auto + subestimator__multi_class -> deprecated subestimator__n_jobs -> None subestimator__penalty -> l2 subestimator__random_state -> None diff --git a/doc/developers/index.rst b/doc/developers/index.rst index c2cc35928cbf9..cca77b6a015c9 100644 --- a/doc/developers/index.rst +++ b/doc/developers/index.rst @@ -1,16 +1,9 @@ -.. Places parent toc into the sidebar - -:parenttoc: True - .. _developers_guide: ================= Developer's Guide ================= -.. include:: ../includes/big_toc_css.rst -.. include:: ../tune_toc.rst - .. toctree:: contributing diff --git a/doc/developers/maintainer.rst b/doc/developers/maintainer.rst index e82a7993997b2..ffc9b73156fa8 100644 --- a/doc/developers/maintainer.rst +++ b/doc/developers/maintainer.rst @@ -1,6 +1,5 @@ -Maintainer / core-developer information -======================================== - +Maintainer/Core-Developer Information +====================================== Releasing --------- @@ -105,14 +104,13 @@ in the description of the Pull Request to track progress. This PR will be used to push commits related to the release as explained in :ref:`making_a_release`. -You can also create a second PR from main and targeting main to increment -the ``__version__`` variable in `sklearn/__init__.py` to increment the dev -version. This means while we're in the release candidate period, the latest -stable is two versions behind the main branch, instead of one. In this PR -targeting main you should also include a new file for the matching version -under the ``doc/whats_new/`` folder so PRs that target the next version can -contribute their changelog entries to this file in parallel to the release -process. +You can also create a second PR from main and targeting main to increment the +``__version__`` variable in `sklearn/__init__.py` and in `pyproject.toml` to increment +the dev version. This means while we're in the release candidate period, the latest +stable is two versions behind the main branch, instead of one. In this PR targeting +main you should also include a new file for the matching version under the +``doc/whats_new/`` folder so PRs that target the next version can contribute their +changelog entries to this file in parallel to the release process. Minor version release (also known as bug-fix release) ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -212,8 +210,8 @@ Making a release the old entries (two years or three releases are typically good enough) and to update the on-going development entry. -2. On the branch for releasing, update the version number in - ``sklearn/__init__.py``, the ``__version__``. +2. On the branch for releasing, update the version number in ``sklearn/__init__.py``, + the ``__version__`` variable, and in `pyproject.toml`. For major releases, please add a 0 at the end: `0.99.0` instead of `0.99`. diff --git a/doc/dispatching.rst b/doc/dispatching.rst index d42fdcc86f9e8..101e493ee96b7 100644 --- a/doc/dispatching.rst +++ b/doc/dispatching.rst @@ -1,9 +1,3 @@ -.. Places parent toc into the sidebar - -:parenttoc: True - -.. include:: includes/big_toc_css.rst - =========== Dispatching =========== diff --git a/doc/faq.rst b/doc/faq.rst index 8ddf0c4c238f6..81f03b49bc7c9 100644 --- a/doc/faq.rst +++ b/doc/faq.rst @@ -1,3 +1,32 @@ +.. raw:: html + + + .. _faq: ========================== @@ -9,8 +38,9 @@ Frequently Asked Questions Here we try to give some answers to questions that regularly pop up on the mailing list. .. contents:: Table of Contents - :local: - :depth: 2 + :local: + :depth: 2 + About the project ----------------- @@ -323,12 +353,14 @@ Using scikit-learn What's the best way to get help on scikit-learn usage? ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ -**For general machine learning questions**, please use -`Cross Validated `_ with the ``[machine-learning]`` tag. -**For scikit-learn usage questions**, please use `Stack Overflow `_ -with the ``[scikit-learn]`` and ``[python]`` tags. You can alternatively use the `mailing list -`_. +* General machine learning questions: use `Cross Validated + `_ with the ``[machine-learning]`` tag. + +* scikit-learn usage questions: use `Stack Overflow + `_ with the + ``[scikit-learn]`` and ``[python]`` tags. You can alternatively use the `mailing list + `_. Please make sure to include a minimal reproduction code snippet (ideally shorter than 10 lines) that highlights your problem on a toy dataset (for instance from diff --git a/doc/governance.rst b/doc/governance.rst index 33afd7dde8ddb..d6b07afe4eeb4 100644 --- a/doc/governance.rst +++ b/doc/governance.rst @@ -58,56 +58,47 @@ members and recant their rights until they become active again. The list of members, active and emeritus (with dates at which they became active) is public on the scikit-learn website. -The following teams form the core contributors group. - - -Contributor Experience Team -~~~~~~~~~~~~~~~~~~~~~~~~~~~ - -The contributor experience team improves the experience of contributors by -helping with the triage of issues and pull requests, as well as noticing any -repeating patterns where people might struggle, and to help with improving -those aspects of the project. - -To this end, they have the required permissions on github to label and close -issues. :ref:`Their work ` is crucial to improve the -communication in the project and limit the crowding of the issue tracker. - -.. _communication_team: - -Communication team -~~~~~~~~~~~~~~~~~~ - -Members of the communication team help with outreach and communication -for scikit-learn. The goal of the team is to develop public awareness of -scikit-learn, of its features and usage, as well as branding. - -For this, they can operate the scikit-learn accounts on various social networks -and produce materials. They also have the required rights to our blog -repository and other relevant accounts and platforms. - -Documentation team -~~~~~~~~~~~~~~~~~~ - -Members of the documentation team engage with the documentation of the project -among other things. They might also be involved in other aspects of the -project, but their reviews on documentation contributions are considered -authoritative, and can merge such contributions. - -To this end, they have permissions to merge pull requests in scikit-learn's -repository. - -Maintainers -~~~~~~~~~~~ - -Maintainers are community members who have shown that they are dedicated to the -continued development of the project through ongoing engagement with the -community. They have shown they can be trusted to maintain scikit-learn with -care. Being a maintainer allows contributors to more easily carry on with their -project related activities by giving them direct access to the project's -repository. Maintainers are expected to review code contributions, merge -approved pull requests, cast votes for and against merging a pull-request, -and to be involved in deciding major changes to the API. +The following teams form the core contributors group: + +* **Contributor Experience Team** + The contributor experience team improves the experience of contributors by + helping with the triage of issues and pull requests, as well as noticing any + repeating patterns where people might struggle, and to help with improving + those aspects of the project. + + To this end, they have the required permissions on github to label and close + issues. :ref:`Their work ` is crucial to improve the + communication in the project and limit the crowding of the issue tracker. + + .. _communication_team: + +* **Communication Team** + Members of the communication team help with outreach and communication + for scikit-learn. The goal of the team is to develop public awareness of + scikit-learn, of its features and usage, as well as branding. + + For this, they can operate the scikit-learn accounts on various social networks + and produce materials. They also have the required rights to our blog + repository and other relevant accounts and platforms. + +* **Documentation Team** + Members of the documentation team engage with the documentation of the project + among other things. They might also be involved in other aspects of the + project, but their reviews on documentation contributions are considered + authoritative, and can merge such contributions. + + To this end, they have permissions to merge pull requests in scikit-learn's + repository. + +* **Maintainers Team** + Maintainers are community members who have shown that they are dedicated to the + continued development of the project through ongoing engagement with the + community. They have shown they can be trusted to maintain scikit-learn with + care. Being a maintainer allows contributors to more easily carry on with their + project related activities by giving them direct access to the project's + repository. Maintainers are expected to review code contributions, merge + approved pull requests, cast votes for and against merging a pull-request, + and to be involved in deciding major changes to the API. 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    scikit-learn...
    Text is not SVG - cannot display
    diff --git a/doc/includes/big_toc_css.rst b/doc/includes/big_toc_css.rst deleted file mode 100644 index a8ba83e99c5b8..0000000000000 --- a/doc/includes/big_toc_css.rst +++ /dev/null @@ -1,40 +0,0 @@ -.. - File to ..include in a document with a big table of content, to give - it 'style' - -.. raw:: html - - - - - diff --git a/doc/includes/bigger_toc_css.rst b/doc/includes/bigger_toc_css.rst deleted file mode 100644 index d866bd145d883..0000000000000 --- a/doc/includes/bigger_toc_css.rst +++ /dev/null @@ -1,60 +0,0 @@ -.. - File to ..include in a document with a very big table of content, to - give it 'style' - -.. raw:: html - - - - - diff --git a/doc/index.rst.template b/doc/index.rst.template new file mode 100644 index 0000000000000..df058f5fb6185 --- /dev/null +++ b/doc/index.rst.template @@ -0,0 +1,25 @@ +.. title:: Index + +.. Define the overall structure, that affects the prev-next buttons and the order + of the sections in the top navbar. + +.. toctree:: + :hidden: + :maxdepth: 2 + + Install + user_guide + API + auto_examples/index + Community + getting_started + Tutorials + whats_new + Glossary + Development <{{ development_link }}> + FAQ + support + related_projects + roadmap + Governance + about diff --git a/doc/inspection.rst b/doc/inspection.rst index dcf169377e320..88c5ba6f2e678 100644 --- a/doc/inspection.rst +++ b/doc/inspection.rst @@ -1,9 +1,3 @@ -.. Places parent toc into the sidebar - -:parenttoc: True - -.. include:: includes/big_toc_css.rst - .. _inspection: Inspection @@ -21,9 +15,9 @@ predictions from a model and what affects them. This can be used to evaluate assumptions and biases of a model, design a better model, or to diagnose issues with model performance. -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_inspection_plot_linear_model_coefficient_interpretation.py` +* :ref:`sphx_glr_auto_examples_inspection_plot_linear_model_coefficient_interpretation.py` .. toctree:: diff --git a/doc/install.rst b/doc/install.rst index c4a3548016021..be924b012ce65 100644 --- a/doc/install.rst +++ b/doc/install.rst @@ -6,21 +6,21 @@ Installing scikit-learn There are different ways to install scikit-learn: - * :ref:`Install the latest official release `. This - is the best approach for most users. It will provide a stable version - and pre-built packages are available for most platforms. +* :ref:`Install the latest official release `. This + is the best approach for most users. It will provide a stable version + and pre-built packages are available for most platforms. - * Install the version of scikit-learn provided by your - :ref:`operating system or Python distribution `. - This is a quick option for those who have operating systems or Python - distributions that distribute scikit-learn. - It might not provide the latest release version. +* Install the version of scikit-learn provided by your + :ref:`operating system or Python distribution `. + This is a quick option for those who have operating systems or Python + distributions that distribute scikit-learn. + It might not provide the latest release version. - * :ref:`Building the package from source - `. This is best for users who want the - latest-and-greatest features and aren't afraid of running - brand-new code. This is also needed for users who wish to contribute to the - project. +* :ref:`Building the package from source + `. This is best for users who want the + latest-and-greatest features and aren't afraid of running + brand-new code. This is also needed for users who wish to contribute to the + project. .. _install_official_release: @@ -28,117 +28,132 @@ There are different ways to install scikit-learn: Installing the latest release ============================= -.. This quickstart installation is a hack of the awesome - https://spacy.io/usage/#quickstart page. - See the original javascript implementation - https://github.com/ines/quickstart - - -.. raw:: html - -
    - Operating System - - - - - -
    - Packager - - - -
    - - - - -.. raw:: html - -
    - Install the 64bit version of Python 3, for instance from https://www.python.org.Install Python 3 using homebrew (brew install python) or by manually installing the package from https://www.python.org.Install python3 and python3-pip using the package manager of the Linux Distribution.Install conda using the Anaconda or miniconda - installers or the miniforge installers - (no administrator permission required for any of those). -
    - -Then run: - -.. raw:: html - -
    -
    pip3 install -U scikit-learn
    - -
    pip install -U scikit-learn
    - -
    pip install -U scikit-learn
    - -
    python3 -m venv sklearn-venv
    -  source sklearn-venv/bin/activate
    -  pip3 install -U scikit-learn
    - -
    python -m venv sklearn-venv
    -  sklearn-venv\Scripts\activate
    -  pip install -U scikit-learn
    - -
    python -m venv sklearn-venv
    -  source sklearn-venv/bin/activate
    -  pip install -U scikit-learn
    - -
    conda create -n sklearn-env -c conda-forge scikit-learn
    -  conda activate sklearn-env
    -
    - -In order to check your installation you can use - -.. raw:: html - -
    -
    python3 -m pip show scikit-learn  # to see which version and where scikit-learn is installed
    -  python3 -m pip freeze  # to see all packages installed in the active virtualenv
    -  python3 -c "import sklearn; sklearn.show_versions()"
    - -
    python -m pip show scikit-learn  # to see which version and where scikit-learn is installed
    -  python -m pip freeze  # to see all packages installed in the active virtualenv
    -  python -c "import sklearn; sklearn.show_versions()"
    - -
    python -m pip show scikit-learn  # to see which version and where scikit-learn is installed
    -  python -m pip freeze  # to see all packages installed in the active virtualenv
    -  python -c "import sklearn; sklearn.show_versions()"
    - -
    python -m pip show scikit-learn  # to see which version and where scikit-learn is installed
    -  python -m pip freeze  # to see all packages installed in the active virtualenv
    -  python -c "import sklearn; sklearn.show_versions()"
    - -
    conda list scikit-learn  # to see which scikit-learn version is installed
    -  conda list  # to see all packages installed in the active conda environment
    -  python -c "import sklearn; sklearn.show_versions()"
    -
    - -Note that in order to avoid potential conflicts with other packages it is -strongly recommended to use a `virtual environment (venv) -`_ or a `conda environment -`_. - -Using such an isolated environment makes it possible to install a specific -version of scikit-learn with pip or conda and its dependencies independently of -any previously installed Python packages. In particular under Linux is it -discouraged to install pip packages alongside the packages managed by the +.. `scss/install.scss` overrides some default sphinx-design styling for the tabs + +.. div:: install-instructions + + .. tab-set:: + + .. tab-item:: pip + :class-label: tab-6 + :sync: packager-pip + + .. tab-set:: + + .. tab-item:: Windows + :class-label: tab-4 + :sync: os-windows + + Install the 64-bit version of Python 3, for instance from the + `official website `__. + + Now create a `virtual environment (venv) + `_ and install scikit-learn. + Note that the virtual environment is optional but strongly recommended, in + order to avoid potential conflicts with other packages. + + .. prompt:: powershell + + python -m venv sklearn-env + sklearn-env\Scripts\activate # activate + pip install -U scikit-learn + + In order to check your installation, you can use: + + .. prompt:: powershell + + python -m pip show scikit-learn # show scikit-learn version and location + python -m pip freeze # show all installed packages in the environment + python -c "import sklearn; sklearn.show_versions()" + + .. tab-item:: macOS + :class-label: tab-4 + :sync: os-macos + + Install Python 3 using `homebrew `_ (`brew install python`) + or by manually installing the package from the `official website + `__. + + Now create a `virtual environment (venv) + `_ and install scikit-learn. + Note that the virtual environment is optional but strongly recommended, in + order to avoid potential conflicts with other packges. + + .. prompt:: bash + + python -m venv sklearn-env + source sklearn-env/bin/activate # activate + pip install -U scikit-learn + + In order to check your installation, you can use: + + .. prompt:: bash + + python -m pip show scikit-learn # show scikit-learn version and location + python -m pip freeze # show all installed packages in the environment + python -c "import sklearn; sklearn.show_versions()" + + .. tab-item:: Linux + :class-label: tab-4 + :sync: os-linux + + Python 3 is usually installed by default on most Linux distributions. To + check if you have it installed, try: + + .. prompt:: bash + + python3 --version + pip3 --version + + If you don't have Python 3 installed, please install `python3` and + `python3-pip` from your distribution's package manager. + + Now create a `virtual environment (venv) + `_ and install scikit-learn. + Note that the virtual environment is optional but strongly recommended, in + order to avoid potential conflicts with other packages. + + .. prompt:: bash + + python3 -m venv sklearn-env + source sklearn-env/bin/activate # activate + pip3 install -U scikit-learn + + In order to check your installation, you can use: + + .. prompt:: bash + + python3 -m pip show scikit-learn # show scikit-learn version and location + python3 -m pip freeze # show all installed packages in the environment + python3 -c "import sklearn; sklearn.show_versions()" + + .. tab-item:: conda + :class-label: tab-6 + :sync: packager-conda + + Install conda using the `Anaconda or miniconda installers + `__ + or the `miniforge installers + `__ (no administrator + permission required for any of those). Then run: + + .. prompt:: bash + + conda create -n sklearn-env -c conda-forge scikit-learn + conda activate sklearn-env + + In order to check your installation, you can use: + + .. prompt:: bash + + conda list scikit-learn # show scikit-learn version and location + conda list # show all installed packages in the environment + python -c "import sklearn; sklearn.show_versions()" + +Using an isolated environment such as pip venv or conda makes it possible to +install a specific version of scikit-learn with pip or conda and its dependencies +independently of any previously installed Python packages. In particular under Linux +it is discouraged to install pip packages alongside the packages managed by the package manager of the distribution (apt, dnf, pacman...). Note that you should always remember to activate the environment of your choice @@ -150,11 +165,10 @@ and NumPy and SciPy are not recompiled from source, which can happen when using particular configurations of operating system and hardware (such as Linux on a Raspberry Pi). - -Scikit-learn plotting capabilities (i.e., functions start with "plot\_" -and classes end with "Display") require Matplotlib. The examples require +Scikit-learn plotting capabilities (i.e., functions starting with `plot\_` +and classes ending with `Display`) require Matplotlib. The examples require Matplotlib and some examples require scikit-image, pandas, or seaborn. The -minimum version of Scikit-learn dependencies are listed below along with its +minimum version of scikit-learn dependencies are listed below along with its purpose. .. include:: min_dependency_table.rst @@ -164,10 +178,10 @@ purpose. Scikit-learn 0.20 was the last version to support Python 2.7 and Python 3.4. Scikit-learn 0.21 supported Python 3.5-3.7. Scikit-learn 0.22 supported Python 3.5-3.8. - Scikit-learn 0.23 - 0.24 require Python 3.6 or newer. + Scikit-learn 0.23-0.24 required Python 3.6 or newer. Scikit-learn 1.0 supported Python 3.7-3.10. - Scikit-learn 1.1 and later requires Python 3.8 or newer. - + Scikit-learn 1.1, 1.2 and 1.3 support Python 3.8-3.12 + Scikit-learn 1.4 requires Python 3.9 or newer. .. _install_by_distribution: @@ -192,7 +206,7 @@ Alpine Linux's package is provided through the `official repositories ``py3-scikit-learn`` for Python. It can be installed by typing the following command: -.. prompt:: bash $ +.. prompt:: bash sudo apk add py3-scikit-learn @@ -205,7 +219,7 @@ Arch Linux's package is provided through the `official repositories ``python-scikit-learn`` for Python. It can be installed by typing the following command: -.. prompt:: bash $ +.. prompt:: bash sudo pacman -S python-scikit-learn @@ -220,7 +234,7 @@ Note that scikit-learn requires Python 3, hence the need to use the `python3-` suffixed package names. Packages can be installed using ``apt-get``: -.. prompt:: bash $ +.. prompt:: bash sudo apt-get install python3-sklearn python3-sklearn-lib python3-sklearn-doc @@ -232,7 +246,7 @@ The Fedora package is called ``python3-scikit-learn`` for the python 3 version, the only one available in Fedora. It can be installed using ``dnf``: -.. prompt:: bash $ +.. prompt:: bash sudo dnf install python3-scikit-learn @@ -240,10 +254,8 @@ It can be installed using ``dnf``: NetBSD ------ -scikit-learn is available via `pkgsrc-wip -`_: - - https://pkgsrc.se/math/py-scikit-learn +scikit-learn is available via `pkgsrc-wip `_: +https://pkgsrc.se/math/py-scikit-learn MacPorts for Mac OSX @@ -254,7 +266,7 @@ where ``XY`` denotes the Python version. It can be installed by typing the following command: -.. prompt:: bash $ +.. prompt:: bash sudo port install py39-scikit-learn @@ -276,7 +288,7 @@ Intel Extension for Scikit-learn Intel maintains an optimized x86_64 package, available in PyPI (via `pip`), and in the `main`, `conda-forge` and `intel` conda channels: -.. prompt:: bash $ +.. prompt:: bash conda install scikit-learn-intelex @@ -302,7 +314,7 @@ with `scikit-learn-intelex`, please report the issue on their WinPython for Windows ------------------------ +--------------------- The `WinPython `_ project distributes scikit-learn as an additional plugin. @@ -311,6 +323,10 @@ scikit-learn as an additional plugin. Troubleshooting =============== +If you encounter unexpected failures when installing scikit-learn, you may submit +an issue to the `issue tracker `_. +Before that, please also make sure to check the following common issues. + .. _windows_longpath: Error caused by file path length limit on Windows @@ -340,6 +356,6 @@ using the ``regedit`` tool: #. Reinstall scikit-learn (ignoring the previous broken installation): -.. prompt:: bash $ + .. prompt:: powershell - pip install --exists-action=i scikit-learn + pip install --exists-action=i scikit-learn diff --git a/doc/js/scripts/api-search.js b/doc/js/scripts/api-search.js new file mode 100644 index 0000000000000..2148e0c429aaa --- /dev/null +++ b/doc/js/scripts/api-search.js @@ -0,0 +1,12 @@ +/** + * This script is for initializing the search table on the API index page. See + * DataTables documentation for more information: https://datatables.net/ + */ + +document.addEventListener("DOMContentLoaded", function () { + new DataTable("table.apisearch-table", { + order: [], // Keep original order + lengthMenu: [10, 25, 50, 100, { label: "All", value: -1 }], + pageLength: -1, // Show all entries by default + }); +}); diff --git a/doc/js/scripts/dropdown.js b/doc/js/scripts/dropdown.js new file mode 100644 index 0000000000000..ec2e6d9419a28 --- /dev/null +++ b/doc/js/scripts/dropdown.js @@ -0,0 +1,61 @@ +/** + * This script is used to add the functionality of collapsing/expanding all dropdowns + * on the page to the sphinx-design dropdowns. This is because some browsers cannot + * search into collapsed
    (such as Firefox). + * + * The reason why the buttons are added to the page with JS (dynamic) instead of with + * sphinx (static) is that the button will not work without JS activated, so we do not + * want them to show up in that case. + */ + +function addToggleAllButtons() { + // Get all sphinx-design dropdowns + const allDropdowns = document.querySelectorAll("details.sd-dropdown"); + + function collapseAll() { + // Function to collapse all dropdowns on the page + console.log("[SK] Collapsing all dropdowns..."); + allDropdowns.forEach((dropdown) => { + dropdown.removeAttribute("open"); + }); + } + + function expandAll() { + // Function to expand all dropdowns on the page + console.log("[SK] Expanding all dropdowns..."); + allDropdowns.forEach((dropdown) => { + dropdown.setAttribute("open", ""); + }); + } + + const buttonConfigs = new Map([ + ["up", { desc: "Collapse", action: collapseAll }], + ["down", { desc: "Expand", action: expandAll }], + ]); + + allDropdowns.forEach((dropdown) => { + // Get the summary element of the dropdown, where we will place the buttons + const summaryTitle = dropdown.querySelector("summary.sd-summary-title"); + for (const [direction, config] of buttonConfigs) { + // Button with icon inside + var newButton = document.createElement("button"); + var newIcon = document.createElement("i"); + newIcon.classList.add("fa-solid", `fa-angles-${direction}`); + newButton.appendChild(newIcon); + // Class for styling; `sd-summary-up/down` is implemented by sphinx-design; + // `sk-toggle-all` is implemented by us + newButton.classList.add(`sd-summary-${direction}`, `sk-toggle-all`); + // Bootstrap tooltip configurations + newButton.setAttribute("data-bs-toggle", "tooltip"); + newButton.setAttribute("data-bs-placement", "top"); + newButton.setAttribute("data-bs-offset", "0,10"); + newButton.setAttribute("data-bs-title", `${config.desc} all dropdowns`); + // Assign the collapse/expand action to the button + newButton.onclick = config.action; + // Append the button to the summary element + summaryTitle.appendChild(newButton); + } + }); +} + +document.addEventListener("DOMContentLoaded", addToggleAllButtons); diff --git a/doc/js/scripts/vendor/svg-pan-zoom.min.js b/doc/js/scripts/vendor/svg-pan-zoom.min.js new file mode 100644 index 0000000000000..bde44a689bfe1 --- /dev/null +++ b/doc/js/scripts/vendor/svg-pan-zoom.min.js @@ -0,0 +1,31 @@ +/** + * svg-pan-zoom v3.6.2 + * + * https://github.com/bumbu/svg-pan-zoom + * + * Copyright 2009-2010 Andrea Leofreddi + * All rights reserved. + * + * Redistribution and use in source and binary forms, with or without modification, + * are permitted provided that the following conditions are met: + * + * * Redistributions of source code must retain the above copyright notice, this + * list of conditions and the following disclaimer. + * + * * Redistributions in binary form must reproduce the above copyright notice, this + * list of conditions and the following disclaimer in the documentation and/or + * other materials provided with the distribution. + * + * THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND + * ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED + * WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE + * DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE FOR + * ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES + * (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; + * LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON + * ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT + * (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS + * SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. + * + */ +!function s(r,a,l){function u(e,t){if(!a[e]){if(!r[e]){var o="function"==typeof require&&require;if(!t&&o)return o(e,!0);if(h)return h(e,!0);var n=new Error("Cannot find module '"+e+"'");throw n.code="MODULE_NOT_FOUND",n}var i=a[e]={exports:{}};r[e][0].call(i.exports,function(t){return u(r[e][1][t]||t)},i,i.exports,s,r,a,l)}return a[e].exports}for(var h="function"==typeof 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n=Array.prototype.slice.call(t.childNodes||t.children).filter(function(t){return"defs"!==t.nodeName&&"#text"!==t.nodeName});1===n.length&&"g"===n[0].nodeName&&null===n[0].getAttribute("transform")&&(o=n[0])}if(!o){var i="viewport-"+(new Date).toISOString().replace(/\D/g,"");(o=document.createElementNS(this.svgNS,"g")).setAttribute("id",i);var s=t.childNodes||t.children;if(s&&0`_:: - - >>> from sklearn import svm - >>> from sklearn import datasets - >>> clf = svm.SVC() - >>> X, y= datasets.load_iris(return_X_y=True) - >>> clf.fit(X, y) - SVC() - - >>> import pickle - >>> s = pickle.dumps(clf) - >>> clf2 = pickle.loads(s) - >>> clf2.predict(X[0:1]) - array([0]) - >>> y[0] - 0 - -In the specific case of scikit-learn, it may be better to use joblib's -replacement of pickle (``dump`` & ``load``), which is more efficient on -objects that carry large numpy arrays internally as is often the case for -fitted scikit-learn estimators, but can only pickle to the disk and not to a -string:: - - >>> from joblib import dump, load - >>> dump(clf, 'filename.joblib') # doctest: +SKIP - -Later you can load back the pickled model (possibly in another Python process) -with:: - - >>> clf = load('filename.joblib') # doctest:+SKIP - -.. note:: - - ``dump`` and ``load`` functions also accept file-like object - instead of filenames. More information on data persistence with Joblib is - available `here - `_. - -|details-start| -**InconsistentVersionWarning** -|details-split| - -When an estimator is unpickled with a scikit-learn version that is inconsistent -with the version the estimator was pickled with, a -:class:`~sklearn.exceptions.InconsistentVersionWarning` is raised. This warning -can be caught to obtain the original version the estimator was pickled with:: - - from sklearn.exceptions import InconsistentVersionWarning - warnings.simplefilter("error", InconsistentVersionWarning) - - try: - est = pickle.loads("model_from_prevision_version.pickle") - except InconsistentVersionWarning as w: - print(w.original_sklearn_version) - -|details-end| - -.. _persistence_limitations: - -Security & maintainability limitations -...................................... - -pickle (and joblib by extension), has some issues regarding maintainability -and security. Because of this, - -* Never unpickle untrusted data as it could lead to malicious code being - executed upon loading. -* While models saved using one version of scikit-learn might load in - other versions, this is entirely unsupported and inadvisable. It should - also be kept in mind that operations performed on such data could give - different and unexpected results. - -In order to rebuild a similar model with future versions of scikit-learn, -additional metadata should be saved along the pickled model: - -* The training data, e.g. a reference to an immutable snapshot -* The python source code used to generate the model -* The versions of scikit-learn and its dependencies -* The cross validation score obtained on the training data - -This should make it possible to check that the cross-validation score is in the -same range as before. - -Aside for a few exceptions, pickled models should be portable across -architectures assuming the same versions of dependencies and Python are used. -If you encounter an estimator that is not portable please open an issue on -GitHub. Pickled models are often deployed in production using containers, like -Docker, in order to freeze the environment and dependencies. - -If you want to know more about these issues and explore other possible -serialization methods, please refer to this -`talk by Alex Gaynor -`_. - - -A more secure format: `skops` -............................. - -`skops `__ provides a more secure -format via the :mod:`skops.io` module. It avoids using :mod:`pickle` and only -loads files which have types and references to functions which are trusted -either by default or by the user. - -|details-start| -**Using skops** -|details-split| - -The API is very similar to ``pickle``, and -you can persist your models as explain in the `docs -`__ using -:func:`skops.io.dump` and :func:`skops.io.dumps`:: - - import skops.io as sio - obj = sio.dumps(clf) - -And you can load them back using :func:`skops.io.load` and -:func:`skops.io.loads`. However, you need to specify the types which are -trusted by you. You can get existing unknown types in a dumped object / file -using :func:`skops.io.get_untrusted_types`, and after checking its contents, -pass it to the load function:: - - unknown_types = sio.get_untrusted_types(data=obj) - clf = sio.loads(obj, trusted=unknown_types) - -If you trust the source of the file / object, you can pass ``trusted=True``:: - - clf = sio.loads(obj, trusted=True) - -Please report issues and feature requests related to this format on the `skops -issue tracker `__. - -|details-end| - -Interoperable formats ---------------------- - -For reproducibility and quality control needs, when different architectures -and environments should be taken into account, exporting the model in -`Open Neural Network -Exchange `_ format or `Predictive Model Markup Language -(PMML) `_ format -might be a better approach than using `pickle` alone. -These are helpful where you may want to use your model for prediction in a -different environment from where the model was trained. - -ONNX is a binary serialization of the model. It has been developed to improve -the usability of the interoperable representation of data models. -It aims to facilitate the conversion of the data -models between different machine learning frameworks, and to improve their -portability on different computing architectures. More details are available -from the `ONNX tutorial `_. -To convert scikit-learn model to ONNX a specific tool `sklearn-onnx -`_ has been developed. - -PMML is an implementation of the `XML -`_ document standard -defined to represent data models together with the data used to generate them. -Being human and machine readable, -PMML is a good option for model validation on different platforms and -long term archiving. On the other hand, as XML in general, its verbosity does -not help in production when performance is critical. -To convert scikit-learn model to PMML you can use for example `sklearn2pmml -`_ distributed under the Affero GPLv3 -license. +.. _model_persistence: + +================= +Model persistence +================= + +After training a scikit-learn model, it is desirable to have a way to persist +the model for future use without having to retrain. Based on your use-case, +there are a few different ways to persist a scikit-learn model, and here we +help you decide which one suits you best. In order to make a decision, you need +to answer the following questions: + +1. Do you need the Python object after persistence, or do you only need to + persist in order to serve the model and get predictions out of it? + +If you only need to serve the model and no further investigation on the Python +object itself is required, then :ref:`ONNX ` might be the +best fit for you. Note that not all models are supported by ONNX. + +In case ONNX is not suitable for your use-case, the next question is: + +2. Do you absolutely trust the source of the model, or are there any security + concerns regarding where the persisted model comes from? + +If you have security concerns, then you should consider using :ref:`skops.io +` which gives you back the Python object, but unlike +`pickle` based persistence solutions, loading the persisted model doesn't +automatically allow arbitrary code execution. Note that this requires manual +investigation of the persisted file, which :mod:`skops.io` allows you to do. + +The other solutions assume you absolutely trust the source of the file to be +loaded, as they are all susceptible to arbitrary code execution upon loading +the persisted file since they all use the pickle protocol under the hood. + +3. Do you care about the performance of loading the model, and sharing it + between processes where a memory mapped object on disk is beneficial? + +If yes, then you can consider using :ref:`joblib `. If this +is not a major concern for you, then you can use the built-in :mod:`pickle` +module. + +4. Did you try :mod:`pickle` or :mod:`joblib` and found that the model cannot + be persisted? It can happen for instance when you have user defined + functions in your model. + +If yes, then you can use `cloudpickle`_ which can serialize certain objects +which cannot be serialized by :mod:`pickle` or :mod:`joblib`. + + +Workflow Overview +----------------- + +In a typical workflow, the first step is to train the model using scikit-learn +and scikit-learn compatible libraries. Note that support for scikit-learn and +third party estimators varies across the different persistence methods. + +Train and Persist the Model +........................... + +Creating an appropriate model depends on your use-case. As an example, here we +train a :class:`sklearn.ensemble.HistGradientBoostingClassifier` on the iris +dataset:: + + >>> from sklearn import ensemble + >>> from sklearn import datasets + >>> clf = ensemble.HistGradientBoostingClassifier() + >>> X, y = datasets.load_iris(return_X_y=True) + >>> clf.fit(X, y) + HistGradientBoostingClassifier() + +Once the model is trained, you can persist it using your desired method, and +then you can load the model in a separate environment and get predictions from +it given input data. Here there are two major paths depending on how you +persist and plan to serve the model: + +- :ref:`ONNX `: You need an `ONNX` runtime and an environment + with appropriate dependencies installed to load the model and use the runtime + to get predictions. This environment can be minimal and does not necessarily + even require Python to be installed to load the model and compute + predictions. Also note that `onnxruntime` typically requires much less RAM + than Python to to compute predictions from small models. + +- :mod:`skops.io`, :mod:`pickle`, :mod:`joblib`, `cloudpickle`_: You need a + Python environment with the appropriate dependencies installed to load the + model and get predictions from it. This environment should have the same + **packages** and the same **versions** as the environment where the model was + trained. Note that none of these methods support loading a model trained with + a different version of scikit-learn, and possibly different versions of other + dependencies such as `numpy` and `scipy`. Another concern would be running + the persisted model on a different hardware, and in most cases you should be + able to load your persisted model on a different hardware. + + +.. _onnx_persistence: + +ONNX +---- + +`ONNX`, or `Open Neural Network Exchange `__ format is best +suitable in use-cases where one needs to persist the model and then use the +persisted artifact to get predictions without the need to load the Python +object itself. It is also useful in cases where the serving environment needs +to be lean and minimal, since the `ONNX` runtime does not require `python`. + +`ONNX` is a binary serialization of the model. It has been developed to improve +the usability of the interoperable representation of data models. It aims to +facilitate the conversion of the data models between different machine learning +frameworks, and to improve their portability on different computing +architectures. More details are available from the `ONNX tutorial +`__. To convert scikit-learn model to `ONNX` +`sklearn-onnx `__ has been developed. However, +not all scikit-learn models are supported, and it is limited to the core +scikit-learn and does not support most third party estimators. One can write a +custom converter for third party or custom estimators, but the documentation to +do that is sparse and it might be challenging to do so. + +.. dropdown:: Using ONNX + + To convert the model to `ONNX` format, you need to give the converter some + information about the input as well, about which you can read more `here + `__:: + + from skl2onnx import to_onnx + onx = to_onnx(clf, X[:1].astype(numpy.float32), target_opset=12) + with open("filename.onnx", "wb") as f: + f.write(onx.SerializeToString()) + + You can load the model in Python and use the `ONNX` runtime to get + predictions:: + + from onnxruntime import InferenceSession + with open("filename.onnx", "rb") as f: + onx = f.read() + sess = InferenceSession(onx, providers=["CPUExecutionProvider"]) + pred_ort = sess.run(None, {"X": X_test.astype(numpy.float32)})[0] + +.. _skops_persistence: + +`skops.io` +---------- + +:mod:`skops.io` avoids using :mod:`pickle` and only loads files which have types +and references to functions which are trusted either by default or by the user. +Therefore it provides a more secure format than :mod:`pickle`, :mod:`joblib`, +and `cloudpickle`_. + + +.. dropdown:: Using skops + + The API is very similar to :mod:`pickle`, and you can persist your models as + explained in the `documentation + `__ using + :func:`skops.io.dump` and :func:`skops.io.dumps`:: + + import skops.io as sio + obj = sio.dump(clf, "filename.skops") + + And you can load them back using :func:`skops.io.load` and + :func:`skops.io.loads`. However, you need to specify the types which are + trusted by you. You can get existing unknown types in a dumped object / file + using :func:`skops.io.get_untrusted_types`, and after checking its contents, + pass it to the load function:: + + unknown_types = sio.get_untrusted_types(file="filename.skops") + # investigate the contents of unknown_types, and only load if you trust + # everything you see. + clf = sio.load("filename.skops", trusted=unknown_types) + + Please report issues and feature requests related to this format on the `skops + issue tracker `__. + + +.. _pickle_persistence: + +`pickle`, `joblib`, and `cloudpickle` +------------------------------------- + +These three modules / packages, use the `pickle` protocol under the hood, but +come with slight variations: + +- :mod:`pickle` is a module from the Python Standard Library. It can serialize + and deserialize any Python object, including custom Python classes and + objects. +- :mod:`joblib` is more efficient than `pickle` when working with large machine + learning models or large numpy arrays. +- `cloudpickle`_ can serialize certain objects which cannot be serialized by + :mod:`pickle` or :mod:`joblib`, such as user defined functions and lambda + functions. This can happen for instance, when using a + :class:`~sklearn.preprocessing.FunctionTransformer` and using a custom + function to transform the data. + +.. dropdown:: Using `pickle`, `joblib`, or `cloudpickle` + + Depending on your use-case, you can choose one of these three methods to + persist and load your scikit-learn model, and they all follow the same API:: + + # Here you can replace pickle with joblib or cloudpickle + from pickle import dump + with open("filename.pkl", "wb") as f: + dump(clf, f, protocol=5) + + Using `protocol=5` is recommended to reduce memory usage and make it faster to + store and load any large NumPy array stored as a fitted attribute in the model. + You can alternatively pass `protocol=pickle.HIGHEST_PROTOCOL` which is + equivalent to `protocol=5` in Python 3.8 and later (at the time of writing). + + And later when needed, you can load the same object from the persisted file:: + + # Here you can replace pickle with joblib or cloudpickle + from pickle import load + with open("filename.pkl", "rb") as f: + clf = load(f) + +.. _persistence_limitations: + +Security & Maintainability Limitations +-------------------------------------- + +:mod:`pickle` (and :mod:`joblib` and :mod:`clouldpickle` by extension), has +many documented security vulnerabilities by design and should only be used if +the artifact, i.e. the pickle-file, is coming from a trusted and verified +source. You should never load a pickle file from an untrusted source, similarly +to how you should never execute code from an untrusted source. + +Also note that arbitrary computations can be represented using the `ONNX` +format, and it is therefore recommended to serve models using `ONNX` in a +sandboxed environment to safeguard against computational and memory exploits. + +Also note that there are no supported ways to load a model trained with a +different version of scikit-learn. While using :mod:`skops.io`, :mod:`joblib`, +:mod:`pickle`, or `cloudpickle`_, models saved using one version of +scikit-learn might load in other versions, however, this is entirely +unsupported and inadvisable. It should also be kept in mind that operations +performed on such data could give different and unexpected results, or even +crash your Python process. + +In order to rebuild a similar model with future versions of scikit-learn, +additional metadata should be saved along the pickled model: + +* The training data, e.g. a reference to an immutable snapshot +* The Python source code used to generate the model +* The versions of scikit-learn and its dependencies +* The cross validation score obtained on the training data + +This should make it possible to check that the cross-validation score is in the +same range as before. + +Aside for a few exceptions, persisted models should be portable across +operating systems and hardware architectures assuming the same versions of +dependencies and Python are used. If you encounter an estimator that is not +portable, please open an issue on GitHub. Persisted models are often deployed +in production using containers like Docker, in order to freeze the environment +and dependencies. + +If you want to know more about these issues, please refer to these talks: + +- `Adrin Jalali: Let's exploit pickle, and skops to the rescue! | PyData + Amsterdam 2023 `__. +- `Alex Gaynor: Pickles are for Delis, not Software - PyCon 2014 + `__. + + +.. _serving_environment: + +Replicating the training environment in production +.................................................. + +If the versions of the dependencies used may differ from training to +production, it may result in unexpected behaviour and errors while using the +trained model. To prevent such situations it is recommended to use the same +dependencies and versions in both the training and production environment. +These transitive dependencies can be pinned with the help of package management +tools like `pip`, `mamba`, `conda`, `poetry`, `conda-lock`, `pixi`, etc. + +It is not always possible to load an model trained with older versions of the +scikit-learn library and its dependencies in an updated software environment. +Instead, you might need to retrain the model with the new versions of the all +the libraries. So when training a model, it is important to record the training +recipe (e.g. a Python script) and training set information, and metadata about +all the dependencies to be able to automatically reconstruct the same training +environment for the updated software. + +.. dropdown:: InconsistentVersionWarning + + When an estimator is loaded with a scikit-learn version that is inconsistent + with the version the estimator was pickled with, a + :class:`~sklearn.exceptions.InconsistentVersionWarning` is raised. This warning + can be caught to obtain the original version the estimator was pickled with:: + + from sklearn.exceptions import InconsistentVersionWarning + warnings.simplefilter("error", InconsistentVersionWarning) + + try: + with open("model_from_prevision_version.pickle", "rb") as f: + est = pickle.load(f) + except InconsistentVersionWarning as w: + print(w.original_sklearn_version) + + +Serving the model artifact +.......................... + +The last step after training a scikit-learn model is serving the model. +Once the trained model is successfully loaded, it can be served to manage +different prediction requests. This can involve deploying the model as a +web service using containerization, or other model deployment strategies, +according to the specifications. + + +Summarizing the key points +-------------------------- + +Based on the different approaches for model persistence, the key points for +each approach can be summarized as follows: + +* `ONNX`: It provides a uniform format for persisting any machine learning or + deep learning model (other than scikit-learn) and is useful for model + inference (predictions). It can however, result in compatibility issues with + different frameworks. +* :mod:`skops.io`: Trained scikit-learn models can be easily shared and put + into production using :mod:`skops.io`. It is more secure compared to + alternate approaches based on :mod:`pickle` because it does not load + arbitrary code unless explicitly asked for by the user. Such code needs to be + packaged and importable in the target Python environment. +* :mod:`joblib`: Efficient memory mapping techniques make it faster when using + the same persisted model in multiple Python processes when using + `mmap_mode="r"`. It also gives easy shortcuts to compress and decompress the + persisted object without the need for extra code. However, it may trigger the + execution of malicious code when loading a model from an untrusted source as + any other pickle-based persistence mechanism. +* :mod:`pickle`: It is native to Python and most Python objects can be + serialized and deserialized using :mod:`pickle`, including custom Python + classes and functions as long as they are defined in a package that can be + imported in the target environment. While :mod:`pickle` can be used to easily + save and load scikit-learn models, it may trigger the execution of malicious + code while loading a model from an untrusted source. :mod:`pickle` can also + be very efficient memorywise if the model was persisted with `protocol=5` but + it does not support memory mapping. +* `cloudpickle`_: It has comparable loading efficiency as :mod:`pickle` and + :mod:`joblib` (without memory mapping), but offers additional flexibility to + serialize custom Python code such as lambda expressions and interactively + defined functions and classes. It might be a last resort to persist pipelines + with custom Python components such as a + :class:`sklearn.preprocessing.FunctionTransformer` that wraps a function + defined in the training script itself or more generally outside of any + importable Python package. Note that `cloudpickle`_ offers no forward + compatibility guarantees and you might need the same version of + `cloudpickle`_ to load the persisted model along with the same version of all + the libraries used to define the model. As the other pickle-based persistence + mechanisms, it may trigger the execution of malicious code while loading + a model from an untrusted source. + +.. _cloudpickle: https://github.com/cloudpipe/cloudpickle diff --git a/doc/model_selection.rst b/doc/model_selection.rst index 25cd2b655ccc5..b78c9ff4c3aa8 100644 --- a/doc/model_selection.rst +++ b/doc/model_selection.rst @@ -1,9 +1,3 @@ -.. Places parent toc into the sidebar - -:parenttoc: True - -.. include:: includes/big_toc_css.rst - .. _model_selection: Model selection and evaluation @@ -14,5 +8,6 @@ Model selection and evaluation modules/cross_validation modules/grid_search + modules/classification_threshold modules/model_evaluation modules/learning_curve diff --git a/doc/modules/array_api.rst b/doc/modules/array_api.rst index 6037d644d3f7d..9b58cde56b09a 100644 --- a/doc/modules/array_api.rst +++ b/doc/modules/array_api.rst @@ -1,7 +1,3 @@ -.. Places parent toc into the sidebar - -:parenttoc: True - .. _array_api: ================================ @@ -95,6 +91,7 @@ Estimators - :class:`decomposition.PCA` (with `svd_solver="full"`, `svd_solver="randomized"` and `power_iteration_normalizer="QR"`) +- :class:`linear_model.Ridge` (with `solver="svd"`) - :class:`discriminant_analysis.LinearDiscriminantAnalysis` (with `solver="svd"`) - :class:`preprocessing.KernelCenterer` - :class:`preprocessing.MaxAbsScaler` @@ -105,6 +102,9 @@ Metrics ------- - :func:`sklearn.metrics.accuracy_score` +- :func:`sklearn.metrics.mean_absolute_error` +- :func:`sklearn.metrics.mean_tweedie_deviance` +- :func:`sklearn.metrics.pairwise.cosine_similarity` - :func:`sklearn.metrics.r2_score` - :func:`sklearn.metrics.zero_one_loss` diff --git a/doc/modules/biclustering.rst b/doc/modules/biclustering.rst index 2189e85e0f0ef..503a535c408f0 100644 --- a/doc/modules/biclustering.rst +++ b/doc/modules/biclustering.rst @@ -147,21 +147,21 @@ Then the rows of :math:`Z` are clustered using :ref:`k-means and the remaining ``n_columns`` labels provide the column partitioning. -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_bicluster_plot_spectral_coclustering.py`: A simple example - showing how to generate a data matrix with biclusters and apply - this method to it. +* :ref:`sphx_glr_auto_examples_bicluster_plot_spectral_coclustering.py`: A simple example + showing how to generate a data matrix with biclusters and apply + this method to it. - * :ref:`sphx_glr_auto_examples_bicluster_plot_bicluster_newsgroups.py`: An example of finding - biclusters in the twenty newsgroup dataset. +* :ref:`sphx_glr_auto_examples_bicluster_plot_bicluster_newsgroups.py`: An example of finding + biclusters in the twenty newsgroup dataset. -.. topic:: References: +.. rubric:: References - * Dhillon, Inderjit S, 2001. :doi:`Co-clustering documents and words using - bipartite spectral graph partitioning - <10.1145/502512.502550>` +* Dhillon, Inderjit S, 2001. :doi:`Co-clustering documents and words using + bipartite spectral graph partitioning + <10.1145/502512.502550>` .. _spectral_biclustering: @@ -234,17 +234,17 @@ Similarly, projecting the columns to :math:`A^{\top} * U` and clustering this :math:`n \times q` matrix yields the column labels. -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_bicluster_plot_spectral_biclustering.py`: a simple example - showing how to generate a checkerboard matrix and bicluster it. +* :ref:`sphx_glr_auto_examples_bicluster_plot_spectral_biclustering.py`: a simple example + showing how to generate a checkerboard matrix and bicluster it. -.. topic:: References: +.. rubric:: References - * Kluger, Yuval, et. al., 2003. :doi:`Spectral biclustering of microarray - data: coclustering genes and conditions - <10.1101/gr.648603>` +* Kluger, Yuval, et. al., 2003. :doi:`Spectral biclustering of microarray + data: coclustering genes and conditions + <10.1101/gr.648603>` .. _biclustering_evaluation: @@ -298,8 +298,8 @@ are totally dissimilar. The maximum score, 1, occurs when both sets are identical. -.. topic:: References: +.. rubric:: References - * Hochreiter, Bodenhofer, et. al., 2010. `FABIA: factor analysis - for bicluster acquisition - `__. +* Hochreiter, Bodenhofer, et. al., 2010. `FABIA: factor analysis + for bicluster acquisition + `__. diff --git a/doc/modules/calibration.rst b/doc/modules/calibration.rst index c0a6edb837b2f..a2bfa152d2b26 100644 --- a/doc/modules/calibration.rst +++ b/doc/modules/calibration.rst @@ -262,51 +262,51 @@ probabilities, the calibrated probabilities for each class are predicted separately. As those probabilities do not necessarily sum to one, a postprocessing is performed to normalize them. -.. topic:: Examples: - - * :ref:`sphx_glr_auto_examples_calibration_plot_calibration_curve.py` - * :ref:`sphx_glr_auto_examples_calibration_plot_calibration_multiclass.py` - * :ref:`sphx_glr_auto_examples_calibration_plot_calibration.py` - * :ref:`sphx_glr_auto_examples_calibration_plot_compare_calibration.py` - -.. topic:: References: - - .. [1] Allan H. Murphy (1973). - :doi:`"A New Vector Partition of the Probability Score" - <10.1175/1520-0450(1973)012%3C0595:ANVPOT%3E2.0.CO;2>` - Journal of Applied Meteorology and Climatology - - .. [2] `On the combination of forecast probabilities for - consecutive precipitation periods. - `_ - Wea. Forecasting, 5, 640–650., Wilks, D. S., 1990a - - .. [3] `Predicting Good Probabilities with Supervised Learning - `_, - A. Niculescu-Mizil & R. Caruana, ICML 2005 - - - .. [4] `Probabilistic Outputs for Support Vector Machines and Comparisons - to Regularized Likelihood Methods. - `_ - J. Platt, (1999) - - .. [5] `Transforming Classifier Scores into Accurate Multiclass - Probability Estimates. - `_ - B. Zadrozny & C. Elkan, (KDD 2002) - - .. [6] `Predicting accurate probabilities with a ranking loss. - `_ - Menon AK, Jiang XJ, Vembu S, Elkan C, Ohno-Machado L. - Proc Int Conf Mach Learn. 2012;2012:703-710 - - .. [7] `Beyond sigmoids: How to obtain well-calibrated probabilities from - binary classifiers with beta calibration - `_ - Kull, M., Silva Filho, T. M., & Flach, P. (2017). - - .. [8] Mario V. Wüthrich, Michael Merz (2023). - :doi:`"Statistical Foundations of Actuarial Learning and its Applications" - <10.1007/978-3-031-12409-9>` - Springer Actuarial +.. rubric:: Examples + +* :ref:`sphx_glr_auto_examples_calibration_plot_calibration_curve.py` +* :ref:`sphx_glr_auto_examples_calibration_plot_calibration_multiclass.py` +* :ref:`sphx_glr_auto_examples_calibration_plot_calibration.py` +* :ref:`sphx_glr_auto_examples_calibration_plot_compare_calibration.py` + +.. rubric:: References + +.. [1] Allan H. Murphy (1973). + :doi:`"A New Vector Partition of the Probability Score" + <10.1175/1520-0450(1973)012%3C0595:ANVPOT%3E2.0.CO;2>` + Journal of Applied Meteorology and Climatology + +.. [2] `On the combination of forecast probabilities for + consecutive precipitation periods. + `_ + Wea. Forecasting, 5, 640–650., Wilks, D. S., 1990a + +.. [3] `Predicting Good Probabilities with Supervised Learning + `_, + A. Niculescu-Mizil & R. Caruana, ICML 2005 + + +.. [4] `Probabilistic Outputs for Support Vector Machines and Comparisons + to Regularized Likelihood Methods. + `_ + J. Platt, (1999) + +.. [5] `Transforming Classifier Scores into Accurate Multiclass + Probability Estimates. + `_ + B. Zadrozny & C. Elkan, (KDD 2002) + +.. [6] `Predicting accurate probabilities with a ranking loss. + `_ + Menon AK, Jiang XJ, Vembu S, Elkan C, Ohno-Machado L. + Proc Int Conf Mach Learn. 2012;2012:703-710 + +.. [7] `Beyond sigmoids: How to obtain well-calibrated probabilities from + binary classifiers with beta calibration + `_ + Kull, M., Silva Filho, T. M., & Flach, P. (2017). + +.. [8] Mario V. Wüthrich, Michael Merz (2023). + :doi:`"Statistical Foundations of Actuarial Learning and its Applications" + <10.1007/978-3-031-12409-9>` + Springer Actuarial diff --git a/doc/modules/classes.rst b/doc/modules/classes.rst deleted file mode 100644 index 370b4cd284b50..0000000000000 --- a/doc/modules/classes.rst +++ /dev/null @@ -1,1905 +0,0 @@ -.. _api_ref: - -============= -API Reference -============= - -This is the class and function reference of scikit-learn. Please refer to -the :ref:`full user guide ` for further details, as the class and -function raw specifications may not be enough to give full guidelines on their -uses. -For reference on concepts repeated across the API, see :ref:`glossary`. - -:mod:`sklearn`: Settings and information tools -============================================== - -.. automodule:: sklearn - :no-members: - :no-inherited-members: - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: function.rst - - config_context - get_config - set_config - show_versions - -:mod:`sklearn.base`: Base classes and utility functions -======================================================= - -.. automodule:: sklearn.base - :no-members: - :no-inherited-members: - -Base classes ------------- -.. currentmodule:: sklearn - -.. autosummary:: - :nosignatures: - :toctree: generated/ - :template: class.rst - - base.BaseEstimator - base.BiclusterMixin - base.ClassifierMixin - base.ClusterMixin - base.DensityMixin - base.RegressorMixin - base.TransformerMixin - base.MetaEstimatorMixin - base.OneToOneFeatureMixin - base.OutlierMixin - base.ClassNamePrefixFeaturesOutMixin - feature_selection.SelectorMixin - -Functions ---------- -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: function.rst - - base.clone - base.is_classifier - base.is_regressor - -.. _calibration_ref: - -:mod:`sklearn.calibration`: Probability Calibration -=================================================== - -.. automodule:: sklearn.calibration - :no-members: - :no-inherited-members: - -**User guide:** See the :ref:`calibration` section for further details. - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: class.rst - - calibration.CalibratedClassifierCV - - -.. autosummary:: - :toctree: generated/ - :template: function.rst - - calibration.calibration_curve - -.. _cluster_ref: - -:mod:`sklearn.cluster`: Clustering -================================== - -.. automodule:: sklearn.cluster - :no-members: - :no-inherited-members: - -**User guide:** See the :ref:`clustering` and :ref:`biclustering` sections for -further details. - -Classes -------- -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: class.rst - - cluster.AffinityPropagation - cluster.AgglomerativeClustering - cluster.Birch - cluster.DBSCAN - cluster.HDBSCAN - cluster.FeatureAgglomeration - cluster.KMeans - cluster.BisectingKMeans - cluster.MiniBatchKMeans - cluster.MeanShift - cluster.OPTICS - cluster.SpectralClustering - cluster.SpectralBiclustering - cluster.SpectralCoclustering - -Functions ---------- -.. autosummary:: - :toctree: generated/ - :template: function.rst - - cluster.affinity_propagation - cluster.cluster_optics_dbscan - cluster.cluster_optics_xi - cluster.compute_optics_graph - cluster.dbscan - cluster.estimate_bandwidth - cluster.k_means - cluster.kmeans_plusplus - cluster.mean_shift - cluster.spectral_clustering - cluster.ward_tree - -.. _compose_ref: - -:mod:`sklearn.compose`: Composite Estimators -============================================ - -.. automodule:: sklearn.compose - :no-members: - :no-inherited-members: - -**User guide:** See the :ref:`combining_estimators` section for further -details. - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: class.rst - - compose.ColumnTransformer - compose.TransformedTargetRegressor - -.. autosummary:: - :toctree: generated/ - :template: function.rst - - compose.make_column_transformer - compose.make_column_selector - -.. _covariance_ref: - -:mod:`sklearn.covariance`: Covariance Estimators -================================================ - -.. automodule:: sklearn.covariance - :no-members: - :no-inherited-members: - -**User guide:** See the :ref:`covariance` section for further details. - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: class.rst - - covariance.EmpiricalCovariance - covariance.EllipticEnvelope - covariance.GraphicalLasso - covariance.GraphicalLassoCV - covariance.LedoitWolf - covariance.MinCovDet - covariance.OAS - covariance.ShrunkCovariance - -.. autosummary:: - :toctree: generated/ - :template: function.rst - - covariance.empirical_covariance - covariance.graphical_lasso - covariance.ledoit_wolf - covariance.ledoit_wolf_shrinkage - covariance.oas - covariance.shrunk_covariance - -.. _cross_decomposition_ref: - -:mod:`sklearn.cross_decomposition`: Cross decomposition -======================================================= - -.. automodule:: sklearn.cross_decomposition - :no-members: - :no-inherited-members: - -**User guide:** See the :ref:`cross_decomposition` section for further details. - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: class.rst - - cross_decomposition.CCA - cross_decomposition.PLSCanonical - cross_decomposition.PLSRegression - cross_decomposition.PLSSVD - -.. _datasets_ref: - -:mod:`sklearn.datasets`: Datasets -================================= - -.. automodule:: sklearn.datasets - :no-members: - :no-inherited-members: - -**User guide:** See the :ref:`datasets` section for further details. - -Loaders -------- - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: function.rst - - datasets.clear_data_home - datasets.dump_svmlight_file - datasets.fetch_20newsgroups - datasets.fetch_20newsgroups_vectorized - datasets.fetch_california_housing - datasets.fetch_covtype - datasets.fetch_kddcup99 - datasets.fetch_lfw_pairs - datasets.fetch_lfw_people - datasets.fetch_olivetti_faces - datasets.fetch_openml - datasets.fetch_rcv1 - datasets.fetch_species_distributions - datasets.get_data_home - datasets.load_breast_cancer - datasets.load_diabetes - datasets.load_digits - datasets.load_files - datasets.load_iris - datasets.load_linnerud - datasets.load_sample_image - datasets.load_sample_images - datasets.load_svmlight_file - datasets.load_svmlight_files - datasets.load_wine - -Samples generator ------------------ - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: function.rst - - datasets.make_biclusters - datasets.make_blobs - datasets.make_checkerboard - datasets.make_circles - datasets.make_classification - datasets.make_friedman1 - datasets.make_friedman2 - datasets.make_friedman3 - datasets.make_gaussian_quantiles - datasets.make_hastie_10_2 - datasets.make_low_rank_matrix - datasets.make_moons - datasets.make_multilabel_classification - datasets.make_regression - datasets.make_s_curve - datasets.make_sparse_coded_signal - datasets.make_sparse_spd_matrix - datasets.make_sparse_uncorrelated - datasets.make_spd_matrix - datasets.make_swiss_roll - - -.. _decomposition_ref: - -:mod:`sklearn.decomposition`: Matrix Decomposition -================================================== - -.. automodule:: sklearn.decomposition - :no-members: - :no-inherited-members: - -**User guide:** See the :ref:`decompositions` section for further details. - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: class.rst - - decomposition.DictionaryLearning - decomposition.FactorAnalysis - decomposition.FastICA - decomposition.IncrementalPCA - decomposition.KernelPCA - decomposition.LatentDirichletAllocation - decomposition.MiniBatchDictionaryLearning - decomposition.MiniBatchSparsePCA - decomposition.NMF - decomposition.MiniBatchNMF - decomposition.PCA - decomposition.SparsePCA - decomposition.SparseCoder - decomposition.TruncatedSVD - -.. autosummary:: - :toctree: generated/ - :template: function.rst - - decomposition.dict_learning - decomposition.dict_learning_online - decomposition.fastica - decomposition.non_negative_factorization - decomposition.sparse_encode - -.. _lda_ref: - -:mod:`sklearn.discriminant_analysis`: Discriminant Analysis -=========================================================== - -.. automodule:: sklearn.discriminant_analysis - :no-members: - :no-inherited-members: - -**User guide:** See the :ref:`lda_qda` section for further details. - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: class.rst - - discriminant_analysis.LinearDiscriminantAnalysis - discriminant_analysis.QuadraticDiscriminantAnalysis - -.. _dummy_ref: - -:mod:`sklearn.dummy`: Dummy estimators -====================================== - -.. automodule:: sklearn.dummy - :no-members: - :no-inherited-members: - -**User guide:** See the :ref:`model_evaluation` section for further details. - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: class.rst - - dummy.DummyClassifier - dummy.DummyRegressor - -.. autosummary:: - :toctree: generated/ - :template: function.rst - -.. _ensemble_ref: - -:mod:`sklearn.ensemble`: Ensemble Methods -========================================= - -.. automodule:: sklearn.ensemble - :no-members: - :no-inherited-members: - -**User guide:** See the :ref:`ensemble` section for further details. - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: class.rst - - ensemble.AdaBoostClassifier - ensemble.AdaBoostRegressor - ensemble.BaggingClassifier - ensemble.BaggingRegressor - ensemble.ExtraTreesClassifier - ensemble.ExtraTreesRegressor - ensemble.GradientBoostingClassifier - ensemble.GradientBoostingRegressor - ensemble.IsolationForest - ensemble.RandomForestClassifier - ensemble.RandomForestRegressor - ensemble.RandomTreesEmbedding - ensemble.StackingClassifier - ensemble.StackingRegressor - ensemble.VotingClassifier - ensemble.VotingRegressor - ensemble.HistGradientBoostingRegressor - ensemble.HistGradientBoostingClassifier - - -.. autosummary:: - :toctree: generated/ - :template: function.rst - - -.. _exceptions_ref: - -:mod:`sklearn.exceptions`: Exceptions and warnings -================================================== - -.. automodule:: sklearn.exceptions - :no-members: - :no-inherited-members: - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: class.rst - - exceptions.ConvergenceWarning - exceptions.DataConversionWarning - exceptions.DataDimensionalityWarning - exceptions.EfficiencyWarning - exceptions.FitFailedWarning - exceptions.InconsistentVersionWarning - exceptions.NotFittedError - exceptions.UndefinedMetricWarning - - -:mod:`sklearn.experimental`: Experimental -========================================= - -.. automodule:: sklearn.experimental - :no-members: - :no-inherited-members: - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - - experimental.enable_iterative_imputer - experimental.enable_halving_search_cv - - -.. _feature_extraction_ref: - -:mod:`sklearn.feature_extraction`: Feature Extraction -===================================================== - -.. automodule:: sklearn.feature_extraction - :no-members: - :no-inherited-members: - -**User guide:** See the :ref:`feature_extraction` section for further details. - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: class.rst - - feature_extraction.DictVectorizer - feature_extraction.FeatureHasher - -From images ------------ - -.. automodule:: sklearn.feature_extraction.image - :no-members: - :no-inherited-members: - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: function.rst - - feature_extraction.image.extract_patches_2d - feature_extraction.image.grid_to_graph - feature_extraction.image.img_to_graph - feature_extraction.image.reconstruct_from_patches_2d - - :template: class.rst - - feature_extraction.image.PatchExtractor - -.. _text_feature_extraction_ref: - -From text ---------- - -.. automodule:: sklearn.feature_extraction.text - :no-members: - :no-inherited-members: - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: class.rst - - feature_extraction.text.CountVectorizer - feature_extraction.text.HashingVectorizer - feature_extraction.text.TfidfTransformer - feature_extraction.text.TfidfVectorizer - - -.. _feature_selection_ref: - -:mod:`sklearn.feature_selection`: Feature Selection -=================================================== - -.. automodule:: sklearn.feature_selection - :no-members: - :no-inherited-members: - -**User guide:** See the :ref:`feature_selection` section for further details. - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: class.rst - - feature_selection.GenericUnivariateSelect - feature_selection.SelectPercentile - feature_selection.SelectKBest - feature_selection.SelectFpr - feature_selection.SelectFdr - feature_selection.SelectFromModel - feature_selection.SelectFwe - feature_selection.SequentialFeatureSelector - feature_selection.RFE - feature_selection.RFECV - feature_selection.VarianceThreshold - -.. autosummary:: - :toctree: generated/ - :template: function.rst - - feature_selection.chi2 - feature_selection.f_classif - feature_selection.f_regression - feature_selection.r_regression - feature_selection.mutual_info_classif - feature_selection.mutual_info_regression - - -.. _gaussian_process_ref: - -:mod:`sklearn.gaussian_process`: Gaussian Processes -=================================================== - -.. automodule:: sklearn.gaussian_process - :no-members: - :no-inherited-members: - -**User guide:** See the :ref:`gaussian_process` section for further details. - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: class.rst - - gaussian_process.GaussianProcessClassifier - gaussian_process.GaussianProcessRegressor - -Kernels -------- - -.. automodule:: sklearn.gaussian_process.kernels - :no-members: - :no-inherited-members: - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: class_with_call.rst - - gaussian_process.kernels.CompoundKernel - gaussian_process.kernels.ConstantKernel - gaussian_process.kernels.DotProduct - gaussian_process.kernels.ExpSineSquared - gaussian_process.kernels.Exponentiation - gaussian_process.kernels.Hyperparameter - gaussian_process.kernels.Kernel - gaussian_process.kernels.Matern - gaussian_process.kernels.PairwiseKernel - gaussian_process.kernels.Product - gaussian_process.kernels.RBF - gaussian_process.kernels.RationalQuadratic - gaussian_process.kernels.Sum - gaussian_process.kernels.WhiteKernel - - -.. _impute_ref: - -:mod:`sklearn.impute`: Impute -============================= - -.. automodule:: sklearn.impute - :no-members: - :no-inherited-members: - -**User guide:** See the :ref:`Impute` section for further details. - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: class.rst - - impute.SimpleImputer - impute.IterativeImputer - impute.MissingIndicator - impute.KNNImputer - - -.. _inspection_ref: - -:mod:`sklearn.inspection`: Inspection -===================================== - -.. automodule:: sklearn.inspection - :no-members: - :no-inherited-members: - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: function.rst - - inspection.h_statistic - inspection.partial_dependence - inspection.permutation_importance - -Plotting --------- - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: display_only_from_estimator.rst - - inspection.DecisionBoundaryDisplay - inspection.PartialDependenceDisplay - -.. _isotonic_ref: - -:mod:`sklearn.isotonic`: Isotonic regression -============================================ - -.. automodule:: sklearn.isotonic - :no-members: - :no-inherited-members: - -**User guide:** See the :ref:`isotonic` section for further details. - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: class.rst - - isotonic.IsotonicRegression - -.. autosummary:: - :toctree: generated/ - :template: function.rst - - isotonic.check_increasing - isotonic.isotonic_regression - - -.. _kernel_approximation_ref: - -:mod:`sklearn.kernel_approximation`: Kernel Approximation -========================================================= - -.. automodule:: sklearn.kernel_approximation - :no-members: - :no-inherited-members: - -**User guide:** See the :ref:`kernel_approximation` section for further details. - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: class.rst - - kernel_approximation.AdditiveChi2Sampler - kernel_approximation.Nystroem - kernel_approximation.PolynomialCountSketch - kernel_approximation.RBFSampler - kernel_approximation.SkewedChi2Sampler - -.. _kernel_ridge_ref: - -:mod:`sklearn.kernel_ridge`: Kernel Ridge Regression -==================================================== - -.. automodule:: sklearn.kernel_ridge - :no-members: - :no-inherited-members: - -**User guide:** See the :ref:`kernel_ridge` section for further details. - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: class.rst - - kernel_ridge.KernelRidge - -.. _linear_model_ref: - -:mod:`sklearn.linear_model`: Linear Models -========================================== - -.. automodule:: sklearn.linear_model - :no-members: - :no-inherited-members: - -**User guide:** See the :ref:`linear_model` section for further details. - -The following subsections are only rough guidelines: the same estimator can -fall into multiple categories, depending on its parameters. - -.. currentmodule:: sklearn - -Linear classifiers ------------------- -.. autosummary:: - :toctree: generated/ - :template: class.rst - - linear_model.LogisticRegression - linear_model.LogisticRegressionCV - linear_model.PassiveAggressiveClassifier - linear_model.Perceptron - linear_model.RidgeClassifier - linear_model.RidgeClassifierCV - linear_model.SGDClassifier - linear_model.SGDOneClassSVM - -Classical linear regressors ---------------------------- - -.. autosummary:: - :toctree: generated/ - :template: class.rst - - linear_model.LinearRegression - linear_model.Ridge - linear_model.RidgeCV - linear_model.SGDRegressor - -Regressors with variable selection ----------------------------------- - -The following estimators have built-in variable selection fitting -procedures, but any estimator using a L1 or elastic-net penalty also -performs variable selection: typically :class:`~linear_model.SGDRegressor` -or :class:`~sklearn.linear_model.SGDClassifier` with an appropriate penalty. - -.. autosummary:: - :toctree: generated/ - :template: class.rst - - linear_model.ElasticNet - linear_model.ElasticNetCV - linear_model.Lars - linear_model.LarsCV - linear_model.Lasso - linear_model.LassoCV - linear_model.LassoLars - linear_model.LassoLarsCV - linear_model.LassoLarsIC - linear_model.OrthogonalMatchingPursuit - linear_model.OrthogonalMatchingPursuitCV - -Bayesian regressors -------------------- - -.. autosummary:: - :toctree: generated/ - :template: class.rst - - linear_model.ARDRegression - linear_model.BayesianRidge - -Multi-task linear regressors with variable selection ----------------------------------------------------- - -These estimators fit multiple regression problems (or tasks) jointly, while -inducing sparse coefficients. While the inferred coefficients may differ -between the tasks, they are constrained to agree on the features that are -selected (non-zero coefficients). - -.. autosummary:: - :toctree: generated/ - :template: class.rst - - linear_model.MultiTaskElasticNet - linear_model.MultiTaskElasticNetCV - linear_model.MultiTaskLasso - linear_model.MultiTaskLassoCV - -Outlier-robust regressors -------------------------- - -Any estimator using the Huber loss would also be robust to outliers, e.g. -:class:`~linear_model.SGDRegressor` with ``loss='huber'``. - -.. autosummary:: - :toctree: generated/ - :template: class.rst - - linear_model.HuberRegressor - linear_model.QuantileRegressor - linear_model.RANSACRegressor - linear_model.TheilSenRegressor - -Generalized linear models (GLM) for regression ----------------------------------------------- - -These models allow for response variables to have error distributions other -than a normal distribution: - -.. autosummary:: - :toctree: generated/ - :template: class.rst - - linear_model.PoissonRegressor - linear_model.TweedieRegressor - linear_model.GammaRegressor - - -Miscellaneous -------------- - -.. autosummary:: - :toctree: generated/ - :template: classes.rst - - linear_model.PassiveAggressiveRegressor - -.. autosummary:: - :toctree: generated/ - :template: function.rst - - linear_model.enet_path - linear_model.lars_path - linear_model.lars_path_gram - linear_model.lasso_path - linear_model.orthogonal_mp - linear_model.orthogonal_mp_gram - linear_model.ridge_regression - - -.. _manifold_ref: - -:mod:`sklearn.manifold`: Manifold Learning -========================================== - -.. automodule:: sklearn.manifold - :no-members: - :no-inherited-members: - -**User guide:** See the :ref:`manifold` section for further details. - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated - :template: class.rst - - manifold.Isomap - manifold.LocallyLinearEmbedding - manifold.MDS - manifold.SpectralEmbedding - manifold.TSNE - -.. autosummary:: - :toctree: generated - :template: function.rst - - manifold.locally_linear_embedding - manifold.smacof - manifold.spectral_embedding - manifold.trustworthiness - - -.. _metrics_ref: - -:mod:`sklearn.metrics`: Metrics -=============================== - -See the :ref:`model_evaluation` section and the :ref:`metrics` section of the -user guide for further details. - -.. automodule:: sklearn.metrics - :no-members: - :no-inherited-members: - -.. currentmodule:: sklearn - -Model Selection Interface -------------------------- -See the :ref:`scoring_parameter` section of the user guide for further -details. - -.. autosummary:: - :toctree: generated/ - :template: function.rst - - metrics.check_scoring - metrics.get_scorer - metrics.get_scorer_names - metrics.make_scorer - -Classification metrics ----------------------- - -See the :ref:`classification_metrics` section of the user guide for further -details. - -.. autosummary:: - :toctree: generated/ - :template: function.rst - - metrics.accuracy_score - metrics.auc - metrics.average_precision_score - metrics.balanced_accuracy_score - metrics.brier_score_loss - metrics.class_likelihood_ratios - metrics.classification_report - metrics.cohen_kappa_score - metrics.confusion_matrix - metrics.dcg_score - metrics.det_curve - metrics.f1_score - metrics.fbeta_score - metrics.hamming_loss - metrics.hinge_loss - metrics.jaccard_score - metrics.log_loss - metrics.matthews_corrcoef - metrics.multilabel_confusion_matrix - metrics.ndcg_score - metrics.precision_recall_curve - metrics.precision_recall_fscore_support - metrics.precision_score - metrics.recall_score - metrics.roc_auc_score - metrics.roc_curve - metrics.top_k_accuracy_score - metrics.zero_one_loss - -Regression metrics ------------------- - -See the :ref:`regression_metrics` section of the user guide for further -details. - -.. autosummary:: - :toctree: generated/ - :template: function.rst - - metrics.explained_variance_score - metrics.max_error - metrics.mean_absolute_error - metrics.mean_squared_error - metrics.mean_squared_log_error - metrics.median_absolute_error - metrics.mean_absolute_percentage_error - metrics.r2_score - metrics.root_mean_squared_log_error - metrics.root_mean_squared_error - metrics.mean_poisson_deviance - metrics.mean_gamma_deviance - metrics.mean_tweedie_deviance - metrics.d2_tweedie_score - metrics.mean_pinball_loss - metrics.d2_pinball_score - metrics.d2_absolute_error_score - -Multilabel ranking metrics --------------------------- -See the :ref:`multilabel_ranking_metrics` section of the user guide for further -details. - -.. autosummary:: - :toctree: generated/ - :template: function.rst - - metrics.coverage_error - metrics.label_ranking_average_precision_score - metrics.label_ranking_loss - - -Clustering metrics ------------------- - -See the :ref:`clustering_evaluation` section of the user guide for further -details. - -.. automodule:: sklearn.metrics.cluster - :no-members: - :no-inherited-members: - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: function.rst - - metrics.adjusted_mutual_info_score - metrics.adjusted_rand_score - metrics.calinski_harabasz_score - metrics.davies_bouldin_score - metrics.completeness_score - metrics.cluster.contingency_matrix - metrics.cluster.pair_confusion_matrix - metrics.fowlkes_mallows_score - metrics.homogeneity_completeness_v_measure - metrics.homogeneity_score - metrics.mutual_info_score - metrics.normalized_mutual_info_score - metrics.rand_score - metrics.silhouette_score - metrics.silhouette_samples - metrics.v_measure_score - -Biclustering metrics --------------------- - -See the :ref:`biclustering_evaluation` section of the user guide for -further details. - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: function.rst - - metrics.consensus_score - -Distance metrics ----------------- - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: class.rst - - metrics.DistanceMetric - -Pairwise metrics ----------------- - -See the :ref:`metrics` section of the user guide for further details. - -.. automodule:: sklearn.metrics.pairwise - :no-members: - :no-inherited-members: - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: function.rst - - metrics.pairwise.additive_chi2_kernel - metrics.pairwise.chi2_kernel - metrics.pairwise.cosine_similarity - metrics.pairwise.cosine_distances - metrics.pairwise.distance_metrics - metrics.pairwise.euclidean_distances - metrics.pairwise.haversine_distances - metrics.pairwise.kernel_metrics - metrics.pairwise.laplacian_kernel - metrics.pairwise.linear_kernel - metrics.pairwise.manhattan_distances - metrics.pairwise.nan_euclidean_distances - metrics.pairwise.pairwise_kernels - metrics.pairwise.polynomial_kernel - metrics.pairwise.rbf_kernel - metrics.pairwise.sigmoid_kernel - metrics.pairwise.paired_euclidean_distances - metrics.pairwise.paired_manhattan_distances - metrics.pairwise.paired_cosine_distances - metrics.pairwise.paired_distances - metrics.pairwise_distances - metrics.pairwise_distances_argmin - metrics.pairwise_distances_argmin_min - metrics.pairwise_distances_chunked - - -Plotting --------- - -See the :ref:`visualizations` section of the user guide for further details. - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: display_all_class_methods.rst - - metrics.ConfusionMatrixDisplay - metrics.DetCurveDisplay - metrics.PrecisionRecallDisplay - metrics.PredictionErrorDisplay - metrics.RocCurveDisplay - calibration.CalibrationDisplay - -.. _mixture_ref: - -:mod:`sklearn.mixture`: Gaussian Mixture Models -=============================================== - -.. automodule:: sklearn.mixture - :no-members: - :no-inherited-members: - -**User guide:** See the :ref:`mixture` section for further details. - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: class.rst - - mixture.BayesianGaussianMixture - mixture.GaussianMixture - -.. _modelselection_ref: - -:mod:`sklearn.model_selection`: Model Selection -=============================================== - -.. automodule:: sklearn.model_selection - :no-members: - :no-inherited-members: - -**User guide:** See the :ref:`cross_validation`, :ref:`grid_search` and -:ref:`learning_curve` sections for further details. - -Splitter Classes ----------------- - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: class.rst - - model_selection.GroupKFold - model_selection.GroupShuffleSplit - model_selection.KFold - model_selection.LeaveOneGroupOut - model_selection.LeavePGroupsOut - model_selection.LeaveOneOut - model_selection.LeavePOut - model_selection.PredefinedSplit - model_selection.RepeatedKFold - model_selection.RepeatedStratifiedKFold - model_selection.ShuffleSplit - model_selection.StratifiedKFold - model_selection.StratifiedShuffleSplit - model_selection.StratifiedGroupKFold - model_selection.TimeSeriesSplit - -Splitter Functions ------------------- - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: function.rst - - model_selection.check_cv - model_selection.train_test_split - -.. _hyper_parameter_optimizers: - -Hyper-parameter optimizers --------------------------- - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: class.rst - - model_selection.GridSearchCV - model_selection.HalvingGridSearchCV - model_selection.ParameterGrid - model_selection.ParameterSampler - model_selection.RandomizedSearchCV - model_selection.HalvingRandomSearchCV - - -Model validation ----------------- - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: function.rst - - model_selection.cross_validate - model_selection.cross_val_predict - model_selection.cross_val_score - model_selection.learning_curve - model_selection.permutation_test_score - model_selection.validation_curve - -Visualization -------------- - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: display_only_from_estimator.rst - - model_selection.LearningCurveDisplay - model_selection.ValidationCurveDisplay - -.. _multiclass_ref: - -:mod:`sklearn.multiclass`: Multiclass classification -==================================================== - -.. automodule:: sklearn.multiclass - :no-members: - :no-inherited-members: - -**User guide:** See the :ref:`multiclass_classification` section for further details. - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: class.rst - - multiclass.OneVsRestClassifier - multiclass.OneVsOneClassifier - multiclass.OutputCodeClassifier - -.. _multioutput_ref: - -:mod:`sklearn.multioutput`: Multioutput regression and classification -===================================================================== - -.. automodule:: sklearn.multioutput - :no-members: - :no-inherited-members: - -**User guide:** See the :ref:`multilabel_classification`, -:ref:`multiclass_multioutput_classification`, and -:ref:`multioutput_regression` sections for further details. - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated - :template: class.rst - - multioutput.ClassifierChain - multioutput.MultiOutputRegressor - multioutput.MultiOutputClassifier - multioutput.RegressorChain - -.. _naive_bayes_ref: - -:mod:`sklearn.naive_bayes`: Naive Bayes -======================================= - -.. automodule:: sklearn.naive_bayes - :no-members: - :no-inherited-members: - -**User guide:** See the :ref:`naive_bayes` section for further details. - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: class.rst - - naive_bayes.BernoulliNB - naive_bayes.CategoricalNB - naive_bayes.ComplementNB - naive_bayes.GaussianNB - naive_bayes.MultinomialNB - - -.. _neighbors_ref: - -:mod:`sklearn.neighbors`: Nearest Neighbors -=========================================== - -.. automodule:: sklearn.neighbors - :no-members: - :no-inherited-members: - -**User guide:** See the :ref:`neighbors` section for further details. - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: class.rst - - neighbors.BallTree - neighbors.KDTree - neighbors.KernelDensity - neighbors.KNeighborsClassifier - neighbors.KNeighborsRegressor - neighbors.KNeighborsTransformer - neighbors.LocalOutlierFactor - neighbors.RadiusNeighborsClassifier - neighbors.RadiusNeighborsRegressor - neighbors.RadiusNeighborsTransformer - neighbors.NearestCentroid - neighbors.NearestNeighbors - neighbors.NeighborhoodComponentsAnalysis - -.. autosummary:: - :toctree: generated/ - :template: function.rst - - neighbors.kneighbors_graph - neighbors.radius_neighbors_graph - neighbors.sort_graph_by_row_values - -.. _neural_network_ref: - -:mod:`sklearn.neural_network`: Neural network models -==================================================== - -.. automodule:: sklearn.neural_network - :no-members: - :no-inherited-members: - -**User guide:** See the :ref:`neural_networks_supervised` and :ref:`neural_networks_unsupervised` sections for further details. - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: class.rst - - neural_network.BernoulliRBM - neural_network.MLPClassifier - neural_network.MLPRegressor - -.. _pipeline_ref: - -:mod:`sklearn.pipeline`: Pipeline -================================= - -.. automodule:: sklearn.pipeline - :no-members: - :no-inherited-members: - -**User guide:** See the :ref:`combining_estimators` section for further -details. - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: class.rst - - pipeline.FeatureUnion - pipeline.Pipeline - -.. autosummary:: - :toctree: generated/ - :template: function.rst - - pipeline.make_pipeline - pipeline.make_union - -.. _preprocessing_ref: - -:mod:`sklearn.preprocessing`: Preprocessing and Normalization -============================================================= - -.. automodule:: sklearn.preprocessing - :no-members: - :no-inherited-members: - -**User guide:** See the :ref:`preprocessing` section for further details. - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: class.rst - - preprocessing.Binarizer - preprocessing.FunctionTransformer - preprocessing.KBinsDiscretizer - preprocessing.KernelCenterer - preprocessing.LabelBinarizer - preprocessing.LabelEncoder - preprocessing.MultiLabelBinarizer - preprocessing.MaxAbsScaler - preprocessing.MinMaxScaler - preprocessing.Normalizer - preprocessing.OneHotEncoder - preprocessing.OrdinalEncoder - preprocessing.PolynomialFeatures - preprocessing.PowerTransformer - preprocessing.QuantileTransformer - preprocessing.RobustScaler - preprocessing.SplineTransformer - preprocessing.StandardScaler - preprocessing.TargetEncoder - -.. autosummary:: - :toctree: generated/ - :template: function.rst - - preprocessing.add_dummy_feature - preprocessing.binarize - preprocessing.label_binarize - preprocessing.maxabs_scale - preprocessing.minmax_scale - preprocessing.normalize - preprocessing.quantile_transform - preprocessing.robust_scale - preprocessing.scale - preprocessing.power_transform - - -.. _random_projection_ref: - -:mod:`sklearn.random_projection`: Random projection -=================================================== - -.. automodule:: sklearn.random_projection - :no-members: - :no-inherited-members: - -**User guide:** See the :ref:`random_projection` section for further details. - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: class.rst - - random_projection.GaussianRandomProjection - random_projection.SparseRandomProjection - -.. autosummary:: - :toctree: generated/ - :template: function.rst - - random_projection.johnson_lindenstrauss_min_dim - - -.. _semi_supervised_ref: - -:mod:`sklearn.semi_supervised`: Semi-Supervised Learning -======================================================== - -.. automodule:: sklearn.semi_supervised - :no-members: - :no-inherited-members: - -**User guide:** See the :ref:`semi_supervised` section for further details. - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: class.rst - - semi_supervised.LabelPropagation - semi_supervised.LabelSpreading - semi_supervised.SelfTrainingClassifier - - -.. _svm_ref: - -:mod:`sklearn.svm`: Support Vector Machines -=========================================== - -.. automodule:: sklearn.svm - :no-members: - :no-inherited-members: - -**User guide:** See the :ref:`svm` section for further details. - -Estimators ----------- - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: class.rst - - svm.LinearSVC - svm.LinearSVR - svm.NuSVC - svm.NuSVR - svm.OneClassSVM - svm.SVC - svm.SVR - -.. autosummary:: - :toctree: generated/ - :template: function.rst - - svm.l1_min_c - -.. _tree_ref: - -:mod:`sklearn.tree`: Decision Trees -=================================== - -.. automodule:: sklearn.tree - :no-members: - :no-inherited-members: - -**User guide:** See the :ref:`tree` section for further details. - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: class.rst - - tree.DecisionTreeClassifier - tree.DecisionTreeRegressor - tree.ExtraTreeClassifier - tree.ExtraTreeRegressor - -.. autosummary:: - :toctree: generated/ - :template: function.rst - - tree.export_graphviz - tree.export_text - -Plotting --------- - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: function.rst - - tree.plot_tree - -.. _utils_ref: - -:mod:`sklearn.utils`: Utilities -=============================== - -.. automodule:: sklearn.utils - :no-members: - :no-inherited-members: - -**Developer guide:** See the :ref:`developers-utils` page for further details. - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: class.rst - - utils.Bunch - -.. autosummary:: - :toctree: generated/ - :template: function.rst - - utils.as_float_array - utils.assert_all_finite - utils.deprecated - utils.estimator_html_repr - utils.gen_batches - utils.gen_even_slices - utils.indexable - utils.murmurhash3_32 - utils.resample - utils._safe_indexing - utils.safe_mask - utils.safe_sqr - utils.shuffle - -Input and parameter validation ------------------------------- - -.. automodule:: sklearn.utils.validation - :no-members: - :no-inherited-members: - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: function.rst - - utils.check_X_y - utils.check_array - utils.check_scalar - utils.check_consistent_length - utils.check_random_state - utils.validation.check_is_fitted - utils.validation.check_memory - utils.validation.check_symmetric - utils.validation.column_or_1d - utils.validation.has_fit_parameter - -Utilities used in meta-estimators ---------------------------------- - -.. automodule:: sklearn.utils.metaestimators - :no-members: - :no-inherited-members: - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: function.rst - - utils.metaestimators.available_if - -Utilities to handle weights based on class labels -------------------------------------------------- - -.. automodule:: sklearn.utils.class_weight - :no-members: - :no-inherited-members: - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: function.rst - - utils.class_weight.compute_class_weight - utils.class_weight.compute_sample_weight - -Utilities to deal with multiclass target in classifiers -------------------------------------------------------- - -.. automodule:: sklearn.utils.multiclass - :no-members: - :no-inherited-members: - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: function.rst - - utils.multiclass.type_of_target - utils.multiclass.is_multilabel - utils.multiclass.unique_labels - -Utilities for optimal mathematical operations ---------------------------------------------- - -.. automodule:: sklearn.utils.extmath - :no-members: - :no-inherited-members: - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: function.rst - - utils.extmath.safe_sparse_dot - utils.extmath.randomized_range_finder - utils.extmath.randomized_svd - utils.extmath.fast_logdet - utils.extmath.density - utils.extmath.weighted_mode - -Utilities to work with sparse matrices and arrays -------------------------------------------------- - -.. automodule:: sklearn.utils.sparsefuncs - :no-members: - :no-inherited-members: - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: function.rst - - utils.sparsefuncs.incr_mean_variance_axis - utils.sparsefuncs.inplace_column_scale - utils.sparsefuncs.inplace_row_scale - utils.sparsefuncs.inplace_swap_row - utils.sparsefuncs.inplace_swap_column - utils.sparsefuncs.mean_variance_axis - utils.sparsefuncs.inplace_csr_column_scale - -.. automodule:: sklearn.utils.sparsefuncs_fast - :no-members: - :no-inherited-members: - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: function.rst - - utils.sparsefuncs_fast.inplace_csr_row_normalize_l1 - utils.sparsefuncs_fast.inplace_csr_row_normalize_l2 - -Utilities to work with graphs ------------------------------ - -.. automodule:: sklearn.utils.graph - :no-members: - :no-inherited-members: - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: function.rst - - utils.graph.single_source_shortest_path_length - -Utilities for random sampling ------------------------------ - -.. automodule:: sklearn.utils.random - :no-members: - :no-inherited-members: - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: function.rst - - utils.random.sample_without_replacement - - -Utilities to operate on arrays ------------------------------- - -.. automodule:: sklearn.utils.arrayfuncs - :no-members: - :no-inherited-members: - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: function.rst - - utils.arrayfuncs.min_pos - -Metadata routing ----------------- - -.. automodule:: sklearn.utils.metadata_routing - :no-members: - :no-inherited-members: - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: function.rst - - utils.metadata_routing.get_routing_for_object - utils.metadata_routing.process_routing - -.. autosummary:: - :toctree: generated/ - :template: class.rst - - utils.metadata_routing.MetadataRouter - utils.metadata_routing.MetadataRequest - utils.metadata_routing.MethodMapping - -Scikit-learn object discovery ------------------------------ - -.. automodule:: sklearn.utils.discovery - :no-members: - :no-inherited-members: - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: function.rst - - utils.discovery.all_estimators - utils.discovery.all_displays - utils.discovery.all_functions - -Scikit-learn compatibility checker ----------------------------------- - -.. automodule:: sklearn.utils.estimator_checks - :no-members: - :no-inherited-members: - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: function.rst - - utils.estimator_checks.check_estimator - utils.estimator_checks.parametrize_with_checks - -Utilities for parallel computing --------------------------------- - -.. automodule:: sklearn.utils.parallel - :no-members: - :no-inherited-members: - -.. currentmodule:: sklearn - -.. autosummary:: - :toctree: generated/ - :template: function.rst - - utils.parallel.delayed - utils.parallel_backend - utils.register_parallel_backend - -.. autosummary:: - :toctree: generated/ - :template: class.rst - - utils.parallel.Parallel - - -Recently deprecated -=================== diff --git a/doc/modules/classification_threshold.rst b/doc/modules/classification_threshold.rst new file mode 100644 index 0000000000000..236c0736f7d23 --- /dev/null +++ b/doc/modules/classification_threshold.rst @@ -0,0 +1,157 @@ +.. currentmodule:: sklearn.model_selection + +.. _TunedThresholdClassifierCV: + +================================================== +Tuning the decision threshold for class prediction +================================================== + +Classification is best divided into two parts: + +* the statistical problem of learning a model to predict, ideally, class probabilities; +* the decision problem to take concrete action based on those probability predictions. + +Let's take a straightforward example related to weather forecasting: the first point is +related to answering "what is the chance that it will rain tomorrow?" while the second +point is related to answering "should I take an umbrella tomorrow?". + +When it comes to the scikit-learn API, the first point is addressed providing scores +using :term:`predict_proba` or :term:`decision_function`. The former returns conditional +probability estimates :math:`P(y|X)` for each class, while the latter returns a decision +score for each class. + +The decision corresponding to the labels are obtained with :term:`predict`. In binary +classification, a decision rule or action is then defined by thresholding the scores, +leading to the prediction of a single class label for each sample. For binary +classification in scikit-learn, class labels predictions are obtained by hard-coded +cut-off rules: a positive class is predicted when the conditional probability +:math:`P(y|X)` is greater than 0.5 (obtained with :term:`predict_proba`) or if the +decision score is greater than 0 (obtained with :term:`decision_function`). + +Here, we show an example that illustrates the relation between conditional +probability estimates :math:`P(y|X)` and class labels:: + + >>> from sklearn.datasets import make_classification + >>> from sklearn.tree import DecisionTreeClassifier + >>> X, y = make_classification(random_state=0) + >>> classifier = DecisionTreeClassifier(max_depth=2, random_state=0).fit(X, y) + >>> classifier.predict_proba(X[:4]) + array([[0.94 , 0.06 ], + [0.94 , 0.06 ], + [0.0416..., 0.9583...], + [0.0416..., 0.9583...]]) + >>> classifier.predict(X[:4]) + array([0, 0, 1, 1]) + +While these hard-coded rules might at first seem reasonable as default behavior, they +are most certainly not ideal for most use cases. Let's illustrate with an example. + +Consider a scenario where a predictive model is being deployed to assist +physicians in detecting tumors. In this setting, physicians will most likely be +interested in identifying all patients with cancer and not missing anyone with cancer so +that they can provide them with the right treatment. In other words, physicians +prioritize achieving a high recall rate. This emphasis on recall comes, of course, with +the trade-off of potentially more false-positive predictions, reducing the precision of +the model. That is a risk physicians are willing to take because the cost of a missed +cancer is much higher than the cost of further diagnostic tests. Consequently, when it +comes to deciding whether to classify a patient as having cancer or not, it may be more +beneficial to classify them as positive for cancer when the conditional probability +estimate is much lower than 0.5. + +Post-tuning the decision threshold +================================== + +One solution to address the problem stated in the introduction is to tune the decision +threshold of the classifier once the model has been trained. The +:class:`~sklearn.model_selection.TunedThresholdClassifierCV` tunes this threshold using +an internal cross-validation. The optimum threshold is chosen to maximize a given +metric. + +The following image illustrates the tuning of the decision threshold for a gradient +boosting classifier. While the vanilla and tuned classifiers provide the same +:term:`predict_proba` outputs and thus the same Receiver Operating Characteristic (ROC) +and Precision-Recall curves, the class label predictions differ because of the tuned +decision threshold. The vanilla classifier predicts the class of interest for a +conditional probability greater than 0.5 while the tuned classifier predicts the class +of interest for a very low probability (around 0.02). This decision threshold optimizes +a utility metric defined by the business (in this case an insurance company). + +.. figure:: ../auto_examples/model_selection/images/sphx_glr_plot_cost_sensitive_learning_002.png + :target: ../auto_examples/model_selection/plot_cost_sensitive_learning.html + :align: center + +Options to tune the decision threshold +-------------------------------------- + +The decision threshold can be tuned through different strategies controlled by the +parameter `scoring`. + +One way to tune the threshold is by maximizing a pre-defined scikit-learn metric. These +metrics can be found by calling the function :func:`~sklearn.metrics.get_scorer_names`. +By default, the balanced accuracy is the metric used but be aware that one should choose +a meaningful metric for their use case. + +.. note:: + + It is important to notice that these metrics come with default parameters, notably + the label of the class of interest (i.e. `pos_label`). Thus, if this label is not + the right one for your application, you need to define a scorer and pass the right + `pos_label` (and additional parameters) using the + :func:`~sklearn.metrics.make_scorer`. Refer to :ref:`scoring` to get + information to define your own scoring function. For instance, we show how to pass + the information to the scorer that the label of interest is `0` when maximizing the + :func:`~sklearn.metrics.f1_score`:: + + >>> from sklearn.linear_model import LogisticRegression + >>> from sklearn.model_selection import TunedThresholdClassifierCV + >>> from sklearn.metrics import make_scorer, f1_score + >>> X, y = make_classification( + ... n_samples=1_000, weights=[0.1, 0.9], random_state=0) + >>> pos_label = 0 + >>> scorer = make_scorer(f1_score, pos_label=pos_label) + >>> base_model = LogisticRegression() + >>> model = TunedThresholdClassifierCV(base_model, scoring=scorer) + >>> scorer(model.fit(X, y), X, y) + 0.88... + >>> # compare it with the internal score found by cross-validation + >>> model.best_score_ + 0.86... + +Important notes regarding the internal cross-validation +------------------------------------------------------- + +By default :class:`~sklearn.model_selection.TunedThresholdClassifierCV` uses a 5-fold +stratified cross-validation to tune the decision threshold. The parameter `cv` allows to +control the cross-validation strategy. It is possible to bypass cross-validation by +setting `cv="prefit"` and providing a fitted classifier. In this case, the decision +threshold is tuned on the data provided to the `fit` method. + +However, you should be extremely careful when using this option. You should never use +the same data for training the classifier and tuning the decision threshold due to the +risk of overfitting. Refer to the following example section for more details (cf. +:ref:`TunedThresholdClassifierCV_no_cv`). If you have limited resources, consider using +a float number for `cv` to limit to an internal single train-test split. + +The option `cv="prefit"` should only be used when the provided classifier was already +trained, and you just want to find the best decision threshold using a new validation +set. + +.. _FixedThresholdClassifier: + +Manually setting the decision threshold +--------------------------------------- + +The previous sections discussed strategies to find an optimal decision threshold. It is +also possible to manually set the decision threshold using the class +:class:`~sklearn.model_selection.FixedThresholdClassifier`. In case that you don't want +to refit the model when calling `fit`, you can set the parameter `prefit=True`. + +Examples +-------- + +- See the example entitled + :ref:`sphx_glr_auto_examples_model_selection_plot_tuned_decision_threshold.py`, + to get insights on the post-tuning of the decision threshold. +- See the example entitled + :ref:`sphx_glr_auto_examples_model_selection_plot_cost_sensitive_learning.py`, + to learn about cost-sensitive learning and decision threshold tuning. diff --git a/doc/modules/clustering.rst b/doc/modules/clustering.rst index 1d9fa51b6c834..2de39d0317bf5 100644 --- a/doc/modules/clustering.rst +++ b/doc/modules/clustering.rst @@ -241,13 +241,13 @@ K-means can be used for vector quantization. This is achieved using the performing vector quantization on an image refer to :ref:`sphx_glr_auto_examples_cluster_plot_color_quantization.py`. -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_cluster_plot_cluster_iris.py`: Example usage of - :class:`KMeans` using the iris dataset +* :ref:`sphx_glr_auto_examples_cluster_plot_cluster_iris.py`: Example usage of + :class:`KMeans` using the iris dataset - * :ref:`sphx_glr_auto_examples_text_plot_document_clustering.py`: Document clustering - using :class:`KMeans` and :class:`MiniBatchKMeans` based on sparse data +* :ref:`sphx_glr_auto_examples_text_plot_document_clustering.py`: Document clustering + using :class:`KMeans` and :class:`MiniBatchKMeans` based on sparse data Low-level parallelism --------------------- @@ -257,24 +257,20 @@ chunks of data (256 samples) are processed in parallel, which in addition yields a low memory footprint. For more details on how to control the number of threads, please refer to our :ref:`parallelism` notes. -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_cluster_plot_kmeans_assumptions.py`: Demonstrating - when k-means performs intuitively and when it does not - * :ref:`sphx_glr_auto_examples_cluster_plot_kmeans_digits.py`: Clustering - handwritten digits +* :ref:`sphx_glr_auto_examples_cluster_plot_kmeans_assumptions.py`: Demonstrating when + k-means performs intuitively and when it does not +* :ref:`sphx_glr_auto_examples_cluster_plot_kmeans_digits.py`: Clustering handwritten digits +.. dropdown:: References -|details-start| -**References** -|details-split| + * `"k-means++: The advantages of careful seeding" + `_ + Arthur, David, and Sergei Vassilvitskii, + *Proceedings of the eighteenth annual ACM-SIAM symposium on Discrete + algorithms*, Society for Industrial and Applied Mathematics (2007) -* `"k-means++: The advantages of careful seeding" - `_ Arthur, David, and - Sergei Vassilvitskii, *Proceedings of the eighteenth annual ACM-SIAM symposium - on Discrete algorithms*, Society for Industrial and Applied Mathematics (2007) - -|details-end| .. _mini_batch_kmeans: @@ -310,24 +306,22 @@ small, as shown in the example and cited reference. :scale: 100 -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_cluster_plot_mini_batch_kmeans.py`: Comparison of - :class:`KMeans` and :class:`MiniBatchKMeans` +* :ref:`sphx_glr_auto_examples_cluster_plot_mini_batch_kmeans.py`: Comparison of + :class:`KMeans` and :class:`MiniBatchKMeans` - * :ref:`sphx_glr_auto_examples_text_plot_document_clustering.py`: Document clustering - using :class:`KMeans` and :class:`MiniBatchKMeans` based on sparse data +* :ref:`sphx_glr_auto_examples_text_plot_document_clustering.py`: Document clustering + using :class:`KMeans` and :class:`MiniBatchKMeans` based on sparse data -|details-start| -**References** -|details-split| +* :ref:`sphx_glr_auto_examples_cluster_plot_dict_face_patches.py` -* `"Web Scale K-Means clustering" - `_ - D. Sculley, *Proceedings of the 19th international conference on World - wide web* (2010) +.. dropdown:: References -|details-end| + * `"Web Scale K-Means clustering" + `_ + D. Sculley, *Proceedings of the 19th international conference on World + wide web* (2010) .. _affinity_propagation: @@ -364,55 +358,50 @@ convergence. Further, the memory complexity is of the order sparse similarity matrix is used. This makes Affinity Propagation most appropriate for small to medium sized datasets. -|details-start| -**Algorithm description** -|details-split| - -The messages sent between points belong to one of two categories. The first is -the responsibility :math:`r(i, k)`, which is the accumulated evidence that -sample :math:`k` should be the exemplar for sample :math:`i`. The second is the -availability :math:`a(i, k)` which is the accumulated evidence that sample -:math:`i` should choose sample :math:`k` to be its exemplar, and considers the -values for all other samples that :math:`k` should be an exemplar. In this way, -exemplars are chosen by samples if they are (1) similar enough to many samples -and (2) chosen by many samples to be representative of themselves. +.. dropdown:: Algorithm description -More formally, the responsibility of a sample :math:`k` to be the exemplar of -sample :math:`i` is given by: + The messages sent between points belong to one of two categories. The first is + the responsibility :math:`r(i, k)`, which is the accumulated evidence that + sample :math:`k` should be the exemplar for sample :math:`i`. The second is the + availability :math:`a(i, k)` which is the accumulated evidence that sample + :math:`i` should choose sample :math:`k` to be its exemplar, and considers the + values for all other samples that :math:`k` should be an exemplar. In this way, + exemplars are chosen by samples if they are (1) similar enough to many samples + and (2) chosen by many samples to be representative of themselves. -.. math:: + More formally, the responsibility of a sample :math:`k` to be the exemplar of + sample :math:`i` is given by: - r(i, k) \leftarrow s(i, k) - max [ a(i, k') + s(i, k') \forall k' \neq k ] + .. math:: -Where :math:`s(i, k)` is the similarity between samples :math:`i` and :math:`k`. -The availability of sample :math:`k` to be the exemplar of sample :math:`i` is -given by: - -.. math:: + r(i, k) \leftarrow s(i, k) - max [ a(i, k') + s(i, k') \forall k' \neq k ] - a(i, k) \leftarrow min [0, r(k, k) + \sum_{i'~s.t.~i' \notin \{i, k\}}{r(i', - k)}] + Where :math:`s(i, k)` is the similarity between samples :math:`i` and :math:`k`. + The availability of sample :math:`k` to be the exemplar of sample :math:`i` is + given by: -To begin with, all values for :math:`r` and :math:`a` are set to zero, and the -calculation of each iterates until convergence. As discussed above, in order to -avoid numerical oscillations when updating the messages, the damping factor -:math:`\lambda` is introduced to iteration process: + .. math:: -.. math:: r_{t+1}(i, k) = \lambda\cdot r_{t}(i, k) + (1-\lambda)\cdot r_{t+1}(i, k) -.. math:: a_{t+1}(i, k) = \lambda\cdot a_{t}(i, k) + (1-\lambda)\cdot a_{t+1}(i, k) + a(i, k) \leftarrow min [0, r(k, k) + \sum_{i'~s.t.~i' \notin \{i, k\}}{r(i', + k)}] -where :math:`t` indicates the iteration times. + To begin with, all values for :math:`r` and :math:`a` are set to zero, and the + calculation of each iterates until convergence. As discussed above, in order to + avoid numerical oscillations when updating the messages, the damping factor + :math:`\lambda` is introduced to iteration process: -|details-end| + .. math:: r_{t+1}(i, k) = \lambda\cdot r_{t}(i, k) + (1-\lambda)\cdot r_{t+1}(i, k) + .. math:: a_{t+1}(i, k) = \lambda\cdot a_{t}(i, k) + (1-\lambda)\cdot a_{t+1}(i, k) + where :math:`t` indicates the iteration times. -.. topic:: Examples: - * :ref:`sphx_glr_auto_examples_cluster_plot_affinity_propagation.py`: Affinity - Propagation on a synthetic 2D datasets with 3 classes. +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_applications_plot_stock_market.py` Affinity - Propagation on Financial time series to find groups of companies +* :ref:`sphx_glr_auto_examples_cluster_plot_affinity_propagation.py`: Affinity + Propagation on a synthetic 2D datasets with 3 classes +* :ref:`sphx_glr_auto_examples_applications_plot_stock_market.py` Affinity Propagation + on financial time series to find groups of companies .. _mean_shift: @@ -425,43 +414,40 @@ for centroids to be the mean of the points within a given region. These candidates are then filtered in a post-processing stage to eliminate near-duplicates to form the final set of centroids. -|details-start| -**Mathematical details** -|details-split| +.. dropdown:: Mathematical details -The position of centroid candidates is iteratively adjusted using a technique -called hill climbing, which finds local maxima of the estimated probability -density. Given a candidate centroid :math:`x` for iteration :math:`t`, the -candidate is updated according to the following equation: + The position of centroid candidates is iteratively adjusted using a technique + called hill climbing, which finds local maxima of the estimated probability + density. Given a candidate centroid :math:`x` for iteration :math:`t`, the + candidate is updated according to the following equation: -.. math:: + .. math:: - x^{t+1} = x^t + m(x^t) + x^{t+1} = x^t + m(x^t) -Where :math:`m` is the *mean shift* vector that is computed for each centroid -that points towards a region of the maximum increase in the density of points. -To compute :math:`m` we define :math:`N(x)` as the neighborhood of samples -within a given distance around :math:`x`. Then :math:`m` is computed using the -following equation, effectively updating a centroid to be the mean of the -samples within its neighborhood: + Where :math:`m` is the *mean shift* vector that is computed for each centroid + that points towards a region of the maximum increase in the density of points. + To compute :math:`m` we define :math:`N(x)` as the neighborhood of samples + within a given distance around :math:`x`. Then :math:`m` is computed using the + following equation, effectively updating a centroid to be the mean of the + samples within its neighborhood: -.. math:: + .. math:: - m(x) = \frac{1}{|N(x)|} \sum_{x_j \in N(x)}x_j - x + m(x) = \frac{1}{|N(x)|} \sum_{x_j \in N(x)}x_j - x -In general, the equation for :math:`m` depends on a kernel used for density -estimation. The generic formula is: + In general, the equation for :math:`m` depends on a kernel used for density + estimation. The generic formula is: -.. math:: + .. math:: - m(x) = \frac{\sum_{x_j \in N(x)}K(x_j - x)x_j}{\sum_{x_j \in N(x)}K(x_j - - x)} - x + m(x) = \frac{\sum_{x_j \in N(x)}K(x_j - x)x_j}{\sum_{x_j \in N(x)}K(x_j - + x)} - x -In our implementation, :math:`K(x)` is equal to 1 if :math:`x` is small enough -and is equal to 0 otherwise. Effectively :math:`K(y - x)` indicates whether -:math:`y` is in the neighborhood of :math:`x`. + In our implementation, :math:`K(x)` is equal to 1 if :math:`x` is small enough + and is equal to 0 otherwise. Effectively :math:`K(y - x)` indicates whether + :math:`y` is in the neighborhood of :math:`x`. -|details-end| The algorithm automatically sets the number of clusters, instead of relying on a parameter ``bandwidth``, which dictates the size of the region to search through. @@ -483,21 +469,17 @@ given sample. :scale: 50 -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_cluster_plot_mean_shift.py`: Mean Shift - clustering on a synthetic 2D datasets with 3 classes. +* :ref:`sphx_glr_auto_examples_cluster_plot_mean_shift.py`: Mean Shift clustering + on a synthetic 2D datasets with 3 classes. +.. dropdown:: References -|details-start| -**References** -|details-split| + * :doi:`"Mean shift: A robust approach toward feature space analysis" + <10.1109/34.1000236>` D. Comaniciu and P. Meer, *IEEE Transactions on Pattern + Analysis and Machine Intelligence* (2002) -* :doi:`"Mean shift: A robust approach toward feature space analysis" - <10.1109/34.1000236>` D. Comaniciu and P. Meer, *IEEE Transactions on Pattern - Analysis and Machine Intelligence* (2002) - -|details-end| .. _spectral_clustering: @@ -547,13 +529,13 @@ computed using a function of a gradient of the image. See the examples for such an application. -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_cluster_plot_segmentation_toy.py`: Segmenting - objects from a noisy background using spectral clustering. +* :ref:`sphx_glr_auto_examples_cluster_plot_segmentation_toy.py`: Segmenting objects + from a noisy background using spectral clustering. +* :ref:`sphx_glr_auto_examples_cluster_plot_coin_segmentation.py`: Spectral clustering + to split the image of coins in regions. - * :ref:`sphx_glr_auto_examples_cluster_plot_coin_segmentation.py`: Spectral - clustering to split the image of coins in regions. .. |coin_kmeans| image:: ../auto_examples/cluster/images/sphx_glr_plot_coin_segmentation_001.png :target: ../auto_examples/cluster/plot_coin_segmentation.html @@ -588,18 +570,15 @@ below. |coin_kmeans| |coin_discretize| |coin_cluster_qr| ================================ ================================ ================================ -|details-start| -**References** -|details-split| +.. dropdown:: References -* `"Multiclass spectral clustering" - `_ - Stella X. Yu, Jianbo Shi, 2003 + * `"Multiclass spectral clustering" + `_ + Stella X. Yu, Jianbo Shi, 2003 -* :doi:`"Simple, direct, and efficient multi-way spectral clustering"<10.1093/imaiai/iay008>` - Anil Damle, Victor Minden, Lexing Ying, 2019 + * :doi:`"Simple, direct, and efficient multi-way spectral clustering"<10.1093/imaiai/iay008>` + Anil Damle, Victor Minden, Lexing Ying, 2019 -|details-end| .. _spectral_clustering_graph: @@ -615,28 +594,25 @@ graph, and SpectralClustering is initialized with `affinity='precomputed'`:: ... assign_labels='discretize') >>> sc.fit_predict(adjacency_matrix) # doctest: +SKIP -|details-start| -**References** -|details-split| +.. dropdown:: References -* :doi:`"A Tutorial on Spectral Clustering" <10.1007/s11222-007-9033-z>` Ulrike - von Luxburg, 2007 + * :doi:`"A Tutorial on Spectral Clustering" <10.1007/s11222-007-9033-z>` Ulrike + von Luxburg, 2007 -* :doi:`"Normalized cuts and image segmentation" <10.1109/34.868688>` Jianbo - Shi, Jitendra Malik, 2000 + * :doi:`"Normalized cuts and image segmentation" <10.1109/34.868688>` Jianbo + Shi, Jitendra Malik, 2000 -* `"A Random Walks View of Spectral Segmentation" - `_ - Marina Meila, Jianbo Shi, 2001 + * `"A Random Walks View of Spectral Segmentation" + `_ + Marina Meila, Jianbo Shi, 2001 -* `"On Spectral Clustering: Analysis and an algorithm" - `_ - Andrew Y. Ng, Michael I. Jordan, Yair Weiss, 2001 + * `"On Spectral Clustering: Analysis and an algorithm" + `_ + Andrew Y. Ng, Michael I. Jordan, Yair Weiss, 2001 -* :arxiv:`"Preconditioned Spectral Clustering for Stochastic Block Partition - Streaming Graph Challenge" <1708.07481>` David Zhuzhunashvili, Andrew Knyazev + * :arxiv:`"Preconditioned Spectral Clustering for Stochastic Block Partition + Streaming Graph Challenge" <1708.07481>` David Zhuzhunashvili, Andrew Knyazev -|details-end| .. _hierarchical_clustering: @@ -697,10 +673,13 @@ while not robust to noisy data, can be computed very efficiently and can therefore be useful to provide hierarchical clustering of larger datasets. Single linkage can also perform well on non-globular data. -.. topic:: Examples: +.. rubric:: Examples + +* :ref:`sphx_glr_auto_examples_cluster_plot_digits_linkage.py`: exploration of the + different linkage strategies in a real dataset. - * :ref:`sphx_glr_auto_examples_cluster_plot_digits_linkage.py`: exploration of - the different linkage strategies in a real dataset. + * :ref:`sphx_glr_auto_examples_cluster_plot_linkage_comparison.py`: exploration of + the different linkage strategies in toy datasets. Visualization of cluster hierarchy @@ -714,6 +693,10 @@ of the data, though more so in the case of small sample sizes. :target: ../auto_examples/cluster/plot_agglomerative_dendrogram.html :scale: 42 +.. rubric:: Examples + +* :ref:`sphx_glr_auto_examples_cluster_plot_agglomerative_dendrogram.py` + Adding connectivity constraints ------------------------------- @@ -781,20 +764,20 @@ enable only merging of neighboring pixels on an image, as in the :target: ../auto_examples/cluster/plot_agglomerative_clustering.html :scale: 38 -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_cluster_plot_coin_ward_segmentation.py`: Ward - clustering to split the image of coins in regions. +* :ref:`sphx_glr_auto_examples_cluster_plot_coin_ward_segmentation.py`: Ward + clustering to split the image of coins in regions. - * :ref:`sphx_glr_auto_examples_cluster_plot_ward_structured_vs_unstructured.py`: Example - of Ward algorithm on a swiss-roll, comparison of structured approaches - versus unstructured approaches. +* :ref:`sphx_glr_auto_examples_cluster_plot_ward_structured_vs_unstructured.py`: Example + of Ward algorithm on a swiss-roll, comparison of structured approaches + versus unstructured approaches. - * :ref:`sphx_glr_auto_examples_cluster_plot_feature_agglomeration_vs_univariate_selection.py`: Example - of dimensionality reduction with feature agglomeration based on Ward - hierarchical clustering. +* :ref:`sphx_glr_auto_examples_cluster_plot_feature_agglomeration_vs_univariate_selection.py`: Example + of dimensionality reduction with feature agglomeration based on Ward + hierarchical clustering. - * :ref:`sphx_glr_auto_examples_cluster_plot_agglomerative_clustering.py` +* :ref:`sphx_glr_auto_examples_cluster_plot_agglomerative_clustering.py` Varying the metric @@ -828,9 +811,9 @@ each class. :target: ../auto_examples/cluster/plot_agglomerative_clustering_metrics.html :scale: 32 -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_cluster_plot_agglomerative_clustering_metrics.py` +* :ref:`sphx_glr_auto_examples_cluster_plot_agglomerative_clustering_metrics.py` Bisecting K-Means @@ -874,26 +857,23 @@ Difference between Bisecting K-Means and regular K-Means can be seen on example While the regular K-Means algorithm tends to create non-related clusters, clusters from Bisecting K-Means are well ordered and create quite a visible hierarchy. -|details-start| -**References** -|details-split| - -* `"A Comparison of Document Clustering Techniques" - `_ Michael - Steinbach, George Karypis and Vipin Kumar, Department of Computer Science and - Egineering, University of Minnesota (June 2000) -* `"Performance Analysis of K-Means and Bisecting K-Means Algorithms in Weblog - Data" - `_ - K.Abirami and Dr.P.Mayilvahanan, International Journal of Emerging - Technologies in Engineering Research (IJETER) Volume 4, Issue 8, (August 2016) -* `"Bisecting K-means Algorithm Based on K-valued Self-determining and - Clustering Center Optimization" - `_ Jian Di, Xinyue Gou School - of Control and Computer Engineering,North China Electric Power University, - Baoding, Hebei, China (August 2017) - -|details-end| +.. dropdown:: References + + * `"A Comparison of Document Clustering Techniques" + `_ Michael + Steinbach, George Karypis and Vipin Kumar, Department of Computer Science and + Egineering, University of Minnesota (June 2000) + * `"Performance Analysis of K-Means and Bisecting K-Means Algorithms in Weblog + Data" + `_ + K.Abirami and Dr.P.Mayilvahanan, International Journal of Emerging + Technologies in Engineering Research (IJETER) Volume 4, Issue 8, (August 2016) + * `"Bisecting K-means Algorithm Based on K-valued Self-determining and + Clustering Center Optimization" + `_ Jian Di, Xinyue Gou School + of Control and Computer Engineering,North China Electric Power University, + Baoding, Hebei, China (August 2017) + .. _dbscan: @@ -947,79 +927,68 @@ samples that are still part of a cluster. Moreover, the outliers are indicated by black points below. .. |dbscan_results| image:: ../auto_examples/cluster/images/sphx_glr_plot_dbscan_002.png - :target: ../auto_examples/cluster/plot_dbscan.html - :scale: 50 + :target: ../auto_examples/cluster/plot_dbscan.html + :scale: 50 .. centered:: |dbscan_results| -.. topic:: Examples: - - * :ref:`sphx_glr_auto_examples_cluster_plot_dbscan.py` +.. rubric:: Examples -|details-start| -**Implementation** -|details-split| +* :ref:`sphx_glr_auto_examples_cluster_plot_dbscan.py` -The DBSCAN algorithm is deterministic, always generating the same clusters when -given the same data in the same order. However, the results can differ when -data is provided in a different order. First, even though the core samples will -always be assigned to the same clusters, the labels of those clusters will -depend on the order in which those samples are encountered in the data. Second -and more importantly, the clusters to which non-core samples are assigned can -differ depending on the data order. This would happen when a non-core sample -has a distance lower than ``eps`` to two core samples in different clusters. By -the triangular inequality, those two core samples must be more distant than -``eps`` from each other, or they would be in the same cluster. The non-core -sample is assigned to whichever cluster is generated first in a pass through the -data, and so the results will depend on the data ordering. +.. dropdown:: Implementation -The current implementation uses ball trees and kd-trees to determine the -neighborhood of points, which avoids calculating the full distance matrix (as -was done in scikit-learn versions before 0.14). The possibility to use custom -metrics is retained; for details, see :class:`NearestNeighbors`. + The DBSCAN algorithm is deterministic, always generating the same clusters when + given the same data in the same order. However, the results can differ when + data is provided in a different order. First, even though the core samples will + always be assigned to the same clusters, the labels of those clusters will + depend on the order in which those samples are encountered in the data. Second + and more importantly, the clusters to which non-core samples are assigned can + differ depending on the data order. This would happen when a non-core sample + has a distance lower than ``eps`` to two core samples in different clusters. By + the triangular inequality, those two core samples must be more distant than + ``eps`` from each other, or they would be in the same cluster. The non-core + sample is assigned to whichever cluster is generated first in a pass through the + data, and so the results will depend on the data ordering. -|details-end| + The current implementation uses ball trees and kd-trees to determine the + neighborhood of points, which avoids calculating the full distance matrix (as + was done in scikit-learn versions before 0.14). The possibility to use custom + metrics is retained; for details, see :class:`NearestNeighbors`. -|details-start| -**Memory consumption for large sample sizes** -|details-split| +.. dropdown:: Memory consumption for large sample sizes -This implementation is by default not memory efficient because it constructs a -full pairwise similarity matrix in the case where kd-trees or ball-trees cannot -be used (e.g., with sparse matrices). This matrix will consume :math:`n^2` -floats. A couple of mechanisms for getting around this are: + This implementation is by default not memory efficient because it constructs a + full pairwise similarity matrix in the case where kd-trees or ball-trees cannot + be used (e.g., with sparse matrices). This matrix will consume :math:`n^2` + floats. A couple of mechanisms for getting around this are: -- Use :ref:`OPTICS ` clustering in conjunction with the `extract_dbscan` - method. OPTICS clustering also calculates the full pairwise matrix, but only - keeps one row in memory at a time (memory complexity n). + - Use :ref:`OPTICS ` clustering in conjunction with the `extract_dbscan` + method. OPTICS clustering also calculates the full pairwise matrix, but only + keeps one row in memory at a time (memory complexity n). -- A sparse radius neighborhood graph (where missing entries are presumed to be - out of eps) can be precomputed in a memory-efficient way and dbscan can be run - over this with ``metric='precomputed'``. See - :meth:`sklearn.neighbors.NearestNeighbors.radius_neighbors_graph`. + - A sparse radius neighborhood graph (where missing entries are presumed to be + out of eps) can be precomputed in a memory-efficient way and dbscan can be run + over this with ``metric='precomputed'``. See + :meth:`sklearn.neighbors.NearestNeighbors.radius_neighbors_graph`. -- The dataset can be compressed, either by removing exact duplicates if these - occur in your data, or by using BIRCH. Then you only have a relatively small - number of representatives for a large number of points. You can then provide a - ``sample_weight`` when fitting DBSCAN. + - The dataset can be compressed, either by removing exact duplicates if these + occur in your data, or by using BIRCH. Then you only have a relatively small + number of representatives for a large number of points. You can then provide a + ``sample_weight`` when fitting DBSCAN. -|details-end| - -|details-start| -**References** -|details-split| +.. dropdown:: References * `A Density-Based Algorithm for Discovering Clusters in Large Spatial Databases with Noise `_ Ester, M., H. P. Kriegel, J. Sander, and X. Xu, In Proceedings of the 2nd International Conference on Knowledge Discovery and Data Mining, Portland, OR, - AAAI Press, pp. 226–231. 1996 + AAAI Press, pp. 226-231. 1996 * :doi:`DBSCAN revisited, revisited: why and how you should (still) use DBSCAN. <10.1145/3068335>` Schubert, E., Sander, J., Ester, M., Kriegel, H. P., & Xu, X. (2017). In ACM Transactions on Database Systems (TODS), 42(3), 19. -|details-end| .. _hdbscan: @@ -1039,10 +1008,10 @@ scales by building an alternative representation of the clustering problem. This implementation is adapted from the original implementation of HDBSCAN, `scikit-learn-contrib/hdbscan `_ based on [LJ2017]_. -.. topic:: Examples: +.. rubric:: Examples + +* :ref:`sphx_glr_auto_examples_cluster_plot_hdbscan.py` - * :ref:`sphx_glr_auto_examples_cluster_plot_hdbscan.py` - Mutual Reachability Graph ------------------------- @@ -1102,11 +1071,11 @@ it relies solely on the choice of `min_samples`, which tends to be a more robust hyperparameter. .. |hdbscan_ground_truth| image:: ../auto_examples/cluster/images/sphx_glr_plot_hdbscan_005.png - :target: ../auto_examples/cluster/plot_hdbscan.html - :scale: 75 + :target: ../auto_examples/cluster/plot_hdbscan.html + :scale: 75 .. |hdbscan_results| image:: ../auto_examples/cluster/images/sphx_glr_plot_hdbscan_007.png - :target: ../auto_examples/cluster/plot_hdbscan.html - :scale: 75 + :target: ../auto_examples/cluster/plot_hdbscan.html + :scale: 75 .. centered:: |hdbscan_ground_truth| .. centered:: |hdbscan_results| @@ -1117,19 +1086,19 @@ than `minimum_cluster_size` many samples are considered noise. In practice, one can set `minimum_cluster_size = min_samples` to couple the parameters and simplify the hyperparameter space. -.. topic:: References: +.. rubric:: References - .. [CM2013] Campello, R.J.G.B., Moulavi, D., Sander, J. (2013). Density-Based - Clustering Based on Hierarchical Density Estimates. In: Pei, J., Tseng, V.S., - Cao, L., Motoda, H., Xu, G. (eds) Advances in Knowledge Discovery and Data - Mining. PAKDD 2013. Lecture Notes in Computer Science(), vol 7819. Springer, - Berlin, Heidelberg. :doi:`Density-Based Clustering Based on Hierarchical - Density Estimates <10.1007/978-3-642-37456-2_14>` +.. [CM2013] Campello, R.J.G.B., Moulavi, D., Sander, J. (2013). Density-Based + Clustering Based on Hierarchical Density Estimates. In: Pei, J., Tseng, V.S., + Cao, L., Motoda, H., Xu, G. (eds) Advances in Knowledge Discovery and Data + Mining. PAKDD 2013. Lecture Notes in Computer Science(), vol 7819. Springer, + Berlin, Heidelberg. :doi:`Density-Based Clustering Based on Hierarchical + Density Estimates <10.1007/978-3-642-37456-2_14>` - .. [LJ2017] L. McInnes and J. Healy, (2017). Accelerated Hierarchical Density - Based Clustering. In: IEEE International Conference on Data Mining Workshops - (ICDMW), 2017, pp. 33-42. :doi:`Accelerated Hierarchical Density Based - Clustering <10.1109/ICDMW.2017.12>` +.. [LJ2017] L. McInnes and J. Healy, (2017). Accelerated Hierarchical Density + Based Clustering. In: IEEE International Conference on Data Mining Workshops + (ICDMW), 2017, pp. 33-42. :doi:`Accelerated Hierarchical Density Based + Clustering <10.1109/ICDMW.2017.12>` .. _optics: @@ -1175,58 +1144,48 @@ the linear segment clusters of the reachability plot. Note that the blue and red clusters are adjacent in the reachability plot, and can be hierarchically represented as children of a larger parent cluster. -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_cluster_plot_optics.py` +* :ref:`sphx_glr_auto_examples_cluster_plot_optics.py` -|details-start| -**Comparison with DBSCAN** -|details-split| +.. dropdown:: Comparison with DBSCAN -The results from OPTICS ``cluster_optics_dbscan`` method and DBSCAN are very -similar, but not always identical; specifically, labeling of periphery and noise -points. This is in part because the first samples of each dense area processed -by OPTICS have a large reachability value while being close to other points in -their area, and will thus sometimes be marked as noise rather than periphery. -This affects adjacent points when they are considered as candidates for being -marked as either periphery or noise. + The results from OPTICS ``cluster_optics_dbscan`` method and DBSCAN are very + similar, but not always identical; specifically, labeling of periphery and noise + points. This is in part because the first samples of each dense area processed + by OPTICS have a large reachability value while being close to other points in + their area, and will thus sometimes be marked as noise rather than periphery. + This affects adjacent points when they are considered as candidates for being + marked as either periphery or noise. -Note that for any single value of ``eps``, DBSCAN will tend to have a shorter -run time than OPTICS; however, for repeated runs at varying ``eps`` values, a -single run of OPTICS may require less cumulative runtime than DBSCAN. It is also -important to note that OPTICS' output is close to DBSCAN's only if ``eps`` and -``max_eps`` are close. + Note that for any single value of ``eps``, DBSCAN will tend to have a shorter + run time than OPTICS; however, for repeated runs at varying ``eps`` values, a + single run of OPTICS may require less cumulative runtime than DBSCAN. It is also + important to note that OPTICS' output is close to DBSCAN's only if ``eps`` and + ``max_eps`` are close. -|details-end| +.. dropdown:: Computational Complexity -|details-start| -**Computational Complexity** -|details-split| + Spatial indexing trees are used to avoid calculating the full distance matrix, + and allow for efficient memory usage on large sets of samples. Different + distance metrics can be supplied via the ``metric`` keyword. -Spatial indexing trees are used to avoid calculating the full distance matrix, -and allow for efficient memory usage on large sets of samples. Different -distance metrics can be supplied via the ``metric`` keyword. + For large datasets, similar (but not identical) results can be obtained via + :class:`HDBSCAN`. The HDBSCAN implementation is multithreaded, and has better + algorithmic runtime complexity than OPTICS, at the cost of worse memory scaling. + For extremely large datasets that exhaust system memory using HDBSCAN, OPTICS + will maintain :math:`n` (as opposed to :math:`n^2`) memory scaling; however, + tuning of the ``max_eps`` parameter will likely need to be used to give a + solution in a reasonable amount of wall time. -For large datasets, similar (but not identical) results can be obtained via -:class:`HDBSCAN`. The HDBSCAN implementation is multithreaded, and has better -algorithmic runtime complexity than OPTICS, at the cost of worse memory scaling. -For extremely large datasets that exhaust system memory using HDBSCAN, OPTICS -will maintain :math:`n` (as opposed to :math:`n^2`) memory scaling; however, -tuning of the ``max_eps`` parameter will likely need to be used to give a -solution in a reasonable amount of wall time. -|details-end| +.. dropdown:: References -|details-start| -**References** -|details-split| + * "OPTICS: ordering points to identify the clustering structure." Ankerst, + Mihael, Markus M. Breunig, Hans-Peter Kriegel, and Jörg Sander. In ACM Sigmod + Record, vol. 28, no. 2, pp. 49-60. ACM, 1999. -* "OPTICS: ordering points to identify the clustering structure." Ankerst, - Mihael, Markus M. Breunig, Hans-Peter Kriegel, and Jörg Sander. In ACM Sigmod - Record, vol. 28, no. 2, pp. 49-60. ACM, 1999. - -|details-end| .. _birch: @@ -1262,75 +1221,60 @@ If ``n_clusters`` is set to None, the subclusters from the leaves are directly read off, otherwise a global clustering step labels these subclusters into global clusters (labels) and the samples are mapped to the global label of the nearest subcluster. -|details-start| -**Algorithm description** -|details-split| - -- A new sample is inserted into the root of the CF Tree which is a CF Node. It - is then merged with the subcluster of the root, that has the smallest radius - after merging, constrained by the threshold and branching factor conditions. - If the subcluster has any child node, then this is done repeatedly till it - reaches a leaf. After finding the nearest subcluster in the leaf, the - properties of this subcluster and the parent subclusters are recursively - updated. - -- If the radius of the subcluster obtained by merging the new sample and the - nearest subcluster is greater than the square of the threshold and if the - number of subclusters is greater than the branching factor, then a space is - temporarily allocated to this new sample. The two farthest subclusters are - taken and the subclusters are divided into two groups on the basis of the - distance between these subclusters. - -- If this split node has a parent subcluster and there is room for a new - subcluster, then the parent is split into two. If there is no room, then this - node is again split into two and the process is continued recursively, till it - reaches the root. - -|details-end| - -|details-start| -**BIRCH or MiniBatchKMeans?** -|details-split| - -- BIRCH does not scale very well to high dimensional data. As a rule of thumb if - ``n_features`` is greater than twenty, it is generally better to use MiniBatchKMeans. -- If the number of instances of data needs to be reduced, or if one wants a - large number of subclusters either as a preprocessing step or otherwise, - BIRCH is more useful than MiniBatchKMeans. - -.. image:: ../auto_examples/cluster/images/sphx_glr_plot_birch_vs_minibatchkmeans_001.png +.. dropdown:: Algorithm description + + - A new sample is inserted into the root of the CF Tree which is a CF Node. It + is then merged with the subcluster of the root, that has the smallest radius + after merging, constrained by the threshold and branching factor conditions. + If the subcluster has any child node, then this is done repeatedly till it + reaches a leaf. After finding the nearest subcluster in the leaf, the + properties of this subcluster and the parent subclusters are recursively + updated. + + - If the radius of the subcluster obtained by merging the new sample and the + nearest subcluster is greater than the square of the threshold and if the + number of subclusters is greater than the branching factor, then a space is + temporarily allocated to this new sample. The two farthest subclusters are + taken and the subclusters are divided into two groups on the basis of the + distance between these subclusters. + + - If this split node has a parent subcluster and there is room for a new + subcluster, then the parent is split into two. If there is no room, then this + node is again split into two and the process is continued recursively, till it + reaches the root. + +.. dropdown:: BIRCH or MiniBatchKMeans? + + - BIRCH does not scale very well to high dimensional data. As a rule of thumb if + ``n_features`` is greater than twenty, it is generally better to use MiniBatchKMeans. + - If the number of instances of data needs to be reduced, or if one wants a + large number of subclusters either as a preprocessing step or otherwise, + BIRCH is more useful than MiniBatchKMeans. + + .. image:: ../auto_examples/cluster/images/sphx_glr_plot_birch_vs_minibatchkmeans_001.png :target: ../auto_examples/cluster/plot_birch_vs_minibatchkmeans.html -|details-end| - -|details-start| -**How to use partial_fit?** -|details-split| - -To avoid the computation of global clustering, for every call of ``partial_fit`` -the user is advised +.. dropdown:: How to use partial_fit? -1. To set ``n_clusters=None`` initially -2. Train all data by multiple calls to partial_fit. -3. Set ``n_clusters`` to a required value using - ``brc.set_params(n_clusters=n_clusters)``. -4. Call ``partial_fit`` finally with no arguments, i.e. ``brc.partial_fit()`` - which performs the global clustering. + To avoid the computation of global clustering, for every call of ``partial_fit`` + the user is advised: -|details-end| + 1. To set ``n_clusters=None`` initially. + 2. Train all data by multiple calls to partial_fit. + 3. Set ``n_clusters`` to a required value using + ``brc.set_params(n_clusters=n_clusters)``. + 4. Call ``partial_fit`` finally with no arguments, i.e. ``brc.partial_fit()`` + which performs the global clustering. -|details-start| -**References** -|details-split| +.. dropdown:: References -* Tian Zhang, Raghu Ramakrishnan, Maron Livny BIRCH: An efficient data - clustering method for large databases. - https://www.cs.sfu.ca/CourseCentral/459/han/papers/zhang96.pdf + * Tian Zhang, Raghu Ramakrishnan, Maron Livny BIRCH: An efficient data + clustering method for large databases. + https://www.cs.sfu.ca/CourseCentral/459/han/papers/zhang96.pdf -* Roberto Perdisci JBirch - Java implementation of BIRCH clustering algorithm - https://code.google.com/archive/p/jbirch + * Roberto Perdisci JBirch - Java implementation of BIRCH clustering algorithm + https://code.google.com/archive/p/jbirch -|details-end| .. _clustering_evaluation: @@ -1453,64 +1397,53 @@ will not necessarily be close to zero.:: ground truth clustering resulting in a high proportion of pair labels that agree, which leads subsequently to a high score. -.. topic:: Examples: - - * :ref:`sphx_glr_auto_examples_cluster_plot_adjusted_for_chance_measures.py`: - Analysis of the impact of the dataset size on the value of clustering measures - for random assignments. - +.. rubric:: Examples -|details-start| -**Mathematical formulation** -|details-split| +* :ref:`sphx_glr_auto_examples_cluster_plot_adjusted_for_chance_measures.py`: + Analysis of the impact of the dataset size on the value of + clustering measures for random assignments. -If C is a ground truth class assignment and K the clustering, let us define -:math:`a` and :math:`b` as: +.. dropdown:: Mathematical formulation -- :math:`a`, the number of pairs of elements that are in the same set in C and - in the same set in K + If C is a ground truth class assignment and K the clustering, let us define + :math:`a` and :math:`b` as: -- :math:`b`, the number of pairs of elements that are in different sets in C and - in different sets in K + - :math:`a`, the number of pairs of elements that are in the same set in C and + in the same set in K -The unadjusted Rand index is then given by: + - :math:`b`, the number of pairs of elements that are in different sets in C and + in different sets in K -.. math:: \text{RI} = \frac{a + b}{C_2^{n_{samples}}} + The unadjusted Rand index is then given by: -where :math:`C_2^{n_{samples}}` is the total number of possible pairs in the -dataset. It does not matter if the calculation is performed on ordered pairs or -unordered pairs as long as the calculation is performed consistently. + .. math:: \text{RI} = \frac{a + b}{C_2^{n_{samples}}} -However, the Rand index does not guarantee that random label assignments will -get a value close to zero (esp. if the number of clusters is in the same order -of magnitude as the number of samples). + where :math:`C_2^{n_{samples}}` is the total number of possible pairs in the + dataset. It does not matter if the calculation is performed on ordered pairs or + unordered pairs as long as the calculation is performed consistently. -To counter this effect we can discount the expected RI :math:`E[\text{RI}]` of -random labelings by defining the adjusted Rand index as follows: + However, the Rand index does not guarantee that random label assignments will + get a value close to zero (esp. if the number of clusters is in the same order + of magnitude as the number of samples). -.. math:: \text{ARI} = \frac{\text{RI} - E[\text{RI}]}{\max(\text{RI}) - E[\text{RI}]} + To counter this effect we can discount the expected RI :math:`E[\text{RI}]` of + random labelings by defining the adjusted Rand index as follows: -|details-end| + .. math:: \text{ARI} = \frac{\text{RI} - E[\text{RI}]}{\max(\text{RI}) - E[\text{RI}]} -|details-start| -**References** -|details-split| +.. dropdown:: References -* `Comparing Partitions - `_ L. Hubert and P. - Arabie, Journal of Classification 1985 + * `Comparing Partitions + `_ L. Hubert and P. + Arabie, Journal of Classification 1985 -* `Properties of the Hubert-Arabie adjusted Rand index - `_ D. Steinley, Psychological - Methods 2004 + * `Properties of the Hubert-Arabie adjusted Rand index + `_ D. Steinley, Psychological + Methods 2004 -* `Wikipedia entry for the Rand index - `_ + * `Wikipedia entry for the Rand index + `_ -* `Wikipedia entry for the adjusted Rand index - `_ - -|details-end| .. _mutual_info_score: @@ -1591,80 +1524,77 @@ Bad (e.g. independent labelings) have non-positive scores:: - NMI and MI are not adjusted against chance. -.. topic:: Examples: - - * :ref:`sphx_glr_auto_examples_cluster_plot_adjusted_for_chance_measures.py`: Analysis - of the impact of the dataset size on the value of clustering measures for - random assignments. This example also includes the Adjusted Rand Index. +.. rubric:: Examples +* :ref:`sphx_glr_auto_examples_cluster_plot_adjusted_for_chance_measures.py`: Analysis + of the impact of the dataset size on the value of clustering measures for random + assignments. This example also includes the Adjusted Rand Index. -|details-start| -**Mathematical formulation** -|details-split| +.. dropdown:: Mathematical formulation -Assume two label assignments (of the same N objects), :math:`U` and :math:`V`. -Their entropy is the amount of uncertainty for a partition set, defined by: + Assume two label assignments (of the same N objects), :math:`U` and :math:`V`. + Their entropy is the amount of uncertainty for a partition set, defined by: -.. math:: H(U) = - \sum_{i=1}^{|U|}P(i)\log(P(i)) + .. math:: H(U) = - \sum_{i=1}^{|U|}P(i)\log(P(i)) -where :math:`P(i) = |U_i| / N` is the probability that an object picked at -random from :math:`U` falls into class :math:`U_i`. Likewise for :math:`V`: + where :math:`P(i) = |U_i| / N` is the probability that an object picked at + random from :math:`U` falls into class :math:`U_i`. Likewise for :math:`V`: -.. math:: H(V) = - \sum_{j=1}^{|V|}P'(j)\log(P'(j)) + .. math:: H(V) = - \sum_{j=1}^{|V|}P'(j)\log(P'(j)) -With :math:`P'(j) = |V_j| / N`. The mutual information (MI) between :math:`U` -and :math:`V` is calculated by: + With :math:`P'(j) = |V_j| / N`. The mutual information (MI) between :math:`U` + and :math:`V` is calculated by: -.. math:: \text{MI}(U, V) = \sum_{i=1}^{|U|}\sum_{j=1}^{|V|}P(i, j)\log\left(\frac{P(i,j)}{P(i)P'(j)}\right) + .. math:: \text{MI}(U, V) = \sum_{i=1}^{|U|}\sum_{j=1}^{|V|}P(i, j)\log\left(\frac{P(i,j)}{P(i)P'(j)}\right) -where :math:`P(i, j) = |U_i \cap V_j| / N` is the probability that an object -picked at random falls into both classes :math:`U_i` and :math:`V_j`. + where :math:`P(i, j) = |U_i \cap V_j| / N` is the probability that an object + picked at random falls into both classes :math:`U_i` and :math:`V_j`. -It also can be expressed in set cardinality formulation: + It also can be expressed in set cardinality formulation: -.. math:: \text{MI}(U, V) = \sum_{i=1}^{|U|} \sum_{j=1}^{|V|} \frac{|U_i \cap V_j|}{N}\log\left(\frac{N|U_i \cap V_j|}{|U_i||V_j|}\right) + .. math:: \text{MI}(U, V) = \sum_{i=1}^{|U|} \sum_{j=1}^{|V|} \frac{|U_i \cap V_j|}{N}\log\left(\frac{N|U_i \cap V_j|}{|U_i||V_j|}\right) -The normalized mutual information is defined as + The normalized mutual information is defined as -.. math:: \text{NMI}(U, V) = \frac{\text{MI}(U, V)}{\text{mean}(H(U), H(V))} + .. math:: \text{NMI}(U, V) = \frac{\text{MI}(U, V)}{\text{mean}(H(U), H(V))} -This value of the mutual information and also the normalized variant is not -adjusted for chance and will tend to increase as the number of different labels -(clusters) increases, regardless of the actual amount of "mutual information" -between the label assignments. + This value of the mutual information and also the normalized variant is not + adjusted for chance and will tend to increase as the number of different labels + (clusters) increases, regardless of the actual amount of "mutual information" + between the label assignments. -The expected value for the mutual information can be calculated using the -following equation [VEB2009]_. In this equation, :math:`a_i = |U_i|` (the number -of elements in :math:`U_i`) and :math:`b_j = |V_j|` (the number of elements in -:math:`V_j`). + The expected value for the mutual information can be calculated using the + following equation [VEB2009]_. In this equation, :math:`a_i = |U_i|` (the number + of elements in :math:`U_i`) and :math:`b_j = |V_j|` (the number of elements in + :math:`V_j`). -.. math:: E[\text{MI}(U,V)]=\sum_{i=1}^{|U|} \sum_{j=1}^{|V|} \sum_{n_{ij}=(a_i+b_j-N)^+ - }^{\min(a_i, b_j)} \frac{n_{ij}}{N}\log \left( \frac{ N.n_{ij}}{a_i b_j}\right) - \frac{a_i!b_j!(N-a_i)!(N-b_j)!}{N!n_{ij}!(a_i-n_{ij})!(b_j-n_{ij})! - (N-a_i-b_j+n_{ij})!} + .. math:: E[\text{MI}(U,V)]=\sum_{i=1}^{|U|} \sum_{j=1}^{|V|} \sum_{n_{ij}=(a_i+b_j-N)^+ + }^{\min(a_i, b_j)} \frac{n_{ij}}{N}\log \left( \frac{ N.n_{ij}}{a_i b_j}\right) + \frac{a_i!b_j!(N-a_i)!(N-b_j)!}{N!n_{ij}!(a_i-n_{ij})!(b_j-n_{ij})! + (N-a_i-b_j+n_{ij})!} -Using the expected value, the adjusted mutual information can then be calculated -using a similar form to that of the adjusted Rand index: + Using the expected value, the adjusted mutual information can then be calculated + using a similar form to that of the adjusted Rand index: -.. math:: \text{AMI} = \frac{\text{MI} - E[\text{MI}]}{\text{mean}(H(U), H(V)) - E[\text{MI}]} + .. math:: \text{AMI} = \frac{\text{MI} - E[\text{MI}]}{\text{mean}(H(U), H(V)) - E[\text{MI}]} -For normalized mutual information and adjusted mutual information, the -normalizing value is typically some *generalized* mean of the entropies of each -clustering. Various generalized means exist, and no firm rules exist for -preferring one over the others. The decision is largely a field-by-field basis; -for instance, in community detection, the arithmetic mean is most common. Each -normalizing method provides "qualitatively similar behaviours" [YAT2016]_. In -our implementation, this is controlled by the ``average_method`` parameter. + For normalized mutual information and adjusted mutual information, the + normalizing value is typically some *generalized* mean of the entropies of each + clustering. Various generalized means exist, and no firm rules exist for + preferring one over the others. The decision is largely a field-by-field basis; + for instance, in community detection, the arithmetic mean is most common. Each + normalizing method provides "qualitatively similar behaviours" [YAT2016]_. In + our implementation, this is controlled by the ``average_method`` parameter. -Vinh et al. (2010) named variants of NMI and AMI by their averaging method -[VEB2010]_. Their 'sqrt' and 'sum' averages are the geometric and arithmetic -means; we use these more broadly common names. + Vinh et al. (2010) named variants of NMI and AMI by their averaging method + [VEB2010]_. Their 'sqrt' and 'sum' averages are the geometric and arithmetic + means; we use these more broadly common names. -.. topic:: References: + .. rubric:: References - * Strehl, Alexander, and Joydeep Ghosh (2002). "Cluster ensembles – a + * Strehl, Alexander, and Joydeep Ghosh (2002). "Cluster ensembles - a knowledge reuse framework for combining multiple partitions". Journal of - Machine Learning Research 3: 583–617. `doi:10.1162/153244303321897735 + Machine Learning Research 3: 583-617. `doi:10.1162/153244303321897735 `_. * `Wikipedia entry for the (normalized) Mutual Information @@ -1689,7 +1619,6 @@ means; we use these more broadly common names. Reports 6: 30750. `doi:10.1038/srep30750 `_. -|details-end| .. _homogeneity_completeness: @@ -1807,57 +1736,53 @@ homogeneous but not complete:: almost never available in practice or requires manual assignment by human annotators (as in the supervised learning setting). -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_cluster_plot_adjusted_for_chance_measures.py`: Analysis - of the impact of the dataset size on the value of clustering measures for - random assignments. +* :ref:`sphx_glr_auto_examples_cluster_plot_adjusted_for_chance_measures.py`: Analysis + of the impact of the dataset size on the value of clustering measures for + random assignments. +.. dropdown:: Mathematical formulation -|details-start| -**Mathematical formulation** -|details-split| + Homogeneity and completeness scores are formally given by: -Homogeneity and completeness scores are formally given by: + .. math:: h = 1 - \frac{H(C|K)}{H(C)} -.. math:: h = 1 - \frac{H(C|K)}{H(C)} + .. math:: c = 1 - \frac{H(K|C)}{H(K)} -.. math:: c = 1 - \frac{H(K|C)}{H(K)} + where :math:`H(C|K)` is the **conditional entropy of the classes given the + cluster assignments** and is given by: -where :math:`H(C|K)` is the **conditional entropy of the classes given the -cluster assignments** and is given by: + .. math:: H(C|K) = - \sum_{c=1}^{|C|} \sum_{k=1}^{|K|} \frac{n_{c,k}}{n} + \cdot \log\left(\frac{n_{c,k}}{n_k}\right) -.. math:: H(C|K) = - \sum_{c=1}^{|C|} \sum_{k=1}^{|K|} \frac{n_{c,k}}{n} - \cdot \log\left(\frac{n_{c,k}}{n_k}\right) + and :math:`H(C)` is the **entropy of the classes** and is given by: -and :math:`H(C)` is the **entropy of the classes** and is given by: + .. math:: H(C) = - \sum_{c=1}^{|C|} \frac{n_c}{n} \cdot \log\left(\frac{n_c}{n}\right) -.. math:: H(C) = - \sum_{c=1}^{|C|} \frac{n_c}{n} \cdot \log\left(\frac{n_c}{n}\right) + with :math:`n` the total number of samples, :math:`n_c` and :math:`n_k` the + number of samples respectively belonging to class :math:`c` and cluster + :math:`k`, and finally :math:`n_{c,k}` the number of samples from class + :math:`c` assigned to cluster :math:`k`. -with :math:`n` the total number of samples, :math:`n_c` and :math:`n_k` the -number of samples respectively belonging to class :math:`c` and cluster -:math:`k`, and finally :math:`n_{c,k}` the number of samples from class -:math:`c` assigned to cluster :math:`k`. + The **conditional entropy of clusters given class** :math:`H(K|C)` and the + **entropy of clusters** :math:`H(K)` are defined in a symmetric manner. -The **conditional entropy of clusters given class** :math:`H(K|C)` and the -**entropy of clusters** :math:`H(K)` are defined in a symmetric manner. + Rosenberg and Hirschberg further define **V-measure** as the **harmonic mean of + homogeneity and completeness**: -Rosenberg and Hirschberg further define **V-measure** as the **harmonic mean of -homogeneity and completeness**: + .. math:: v = 2 \cdot \frac{h \cdot c}{h + c} -.. math:: v = 2 \cdot \frac{h \cdot c}{h + c} +.. rubric:: References -|details-end| +* `V-Measure: A conditional entropy-based external cluster evaluation measure + `_ Andrew Rosenberg and Julia + Hirschberg, 2007 -.. topic:: References: +.. [B2011] `Identification and Characterization of Events in Social Media + `_, Hila + Becker, PhD Thesis. - * `V-Measure: A conditional entropy-based external cluster evaluation measure - `_ Andrew Rosenberg and Julia - Hirschberg, 2007 - - .. [B2011] `Identification and Characterization of Events in Social Media - `_, Hila - Becker, PhD Thesis. .. _fowlkes_mallows_scores: @@ -1934,19 +1859,15 @@ Bad (e.g. independent labelings) have zero scores:: manual assignment by human annotators (as in the supervised learning setting). -|details-start| -**References** -|details-split| +.. dropdown:: References -* E. B. Fowkles and C. L. Mallows, 1983. "A method for comparing two - hierarchical clusterings". Journal of the American Statistical - Association. - https://www.tandfonline.com/doi/abs/10.1080/01621459.1983.10478008 + * E. B. Fowkles and C. L. Mallows, 1983. "A method for comparing two + hierarchical clusterings". Journal of the American Statistical Association. + https://www.tandfonline.com/doi/abs/10.1080/01621459.1983.10478008 -* `Wikipedia entry for the Fowlkes-Mallows Index - `_ + * `Wikipedia entry for the Fowlkes-Mallows Index + `_ -|details-end| .. _silhouette_coefficient: @@ -1990,7 +1911,6 @@ cluster analysis. >>> metrics.silhouette_score(X, labels, metric='euclidean') 0.55... - .. topic:: Advantages: - The score is bounded between -1 for incorrect clustering and +1 for highly @@ -2005,23 +1925,18 @@ cluster analysis. other concepts of clusters, such as density based clusters like those obtained through DBSCAN. -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_cluster_plot_kmeans_silhouette_analysis.py` : In - this example the silhouette analysis is used to choose an optimal value for - n_clusters. +* :ref:`sphx_glr_auto_examples_cluster_plot_kmeans_silhouette_analysis.py` : In + this example the silhouette analysis is used to choose an optimal value for + n_clusters. +.. dropdown:: References -|details-start| -**References** -|details-split| + * Peter J. Rousseeuw (1987). :doi:`"Silhouettes: a Graphical Aid to the + Interpretation and Validation of Cluster Analysis"<10.1016/0377-0427(87)90125-7>`. + Computational and Applied Mathematics 20: 53-65. -* Peter J. Rousseeuw (1987). :doi:`"Silhouettes: a Graphical Aid to the - Interpretation and Validation of Cluster - Analysis"<10.1016/0377-0427(87)90125-7>` . Computational and Applied - Mathematics 20: 53–65. - -|details-end| .. _calinski_harabasz_index: @@ -2067,42 +1982,35 @@ cluster analysis: other concepts of clusters, such as density based clusters like those obtained through DBSCAN. -|details-start| -**Mathematical formulation** -|details-split| - -For a set of data :math:`E` of size :math:`n_E` which has been clustered into -:math:`k` clusters, the Calinski-Harabasz score :math:`s` is defined as the -ratio of the between-clusters dispersion mean and the within-cluster -dispersion: +.. dropdown:: Mathematical formulation -.. math:: - s = \frac{\mathrm{tr}(B_k)}{\mathrm{tr}(W_k)} \times \frac{n_E - k}{k - 1} + For a set of data :math:`E` of size :math:`n_E` which has been clustered into + :math:`k` clusters, the Calinski-Harabasz score :math:`s` is defined as the + ratio of the between-clusters dispersion mean and the within-cluster + dispersion: -where :math:`\mathrm{tr}(B_k)` is trace of the between group dispersion matrix -and :math:`\mathrm{tr}(W_k)` is the trace of the within-cluster dispersion -matrix defined by: + .. math:: + s = \frac{\mathrm{tr}(B_k)}{\mathrm{tr}(W_k)} \times \frac{n_E - k}{k - 1} -.. math:: W_k = \sum_{q=1}^k \sum_{x \in C_q} (x - c_q) (x - c_q)^T + where :math:`\mathrm{tr}(B_k)` is trace of the between group dispersion matrix + and :math:`\mathrm{tr}(W_k)` is the trace of the within-cluster dispersion + matrix defined by: -.. math:: B_k = \sum_{q=1}^k n_q (c_q - c_E) (c_q - c_E)^T + .. math:: W_k = \sum_{q=1}^k \sum_{x \in C_q} (x - c_q) (x - c_q)^T -with :math:`C_q` the set of points in cluster :math:`q`, :math:`c_q` the -center of cluster :math:`q`, :math:`c_E` the center of :math:`E`, and -:math:`n_q` the number of points in cluster :math:`q`. + .. math:: B_k = \sum_{q=1}^k n_q (c_q - c_E) (c_q - c_E)^T -|details-end| + with :math:`C_q` the set of points in cluster :math:`q`, :math:`c_q` the + center of cluster :math:`q`, :math:`c_E` the center of :math:`E`, and + :math:`n_q` the number of points in cluster :math:`q`. -|details-start| -**References** -|details-split| +.. dropdown:: References -* Caliński, T., & Harabasz, J. (1974). `"A Dendrite Method for Cluster Analysis" - `_. - :doi:`Communications in Statistics-theory and Methods 3: 1-27 - <10.1080/03610927408827101>`. + * Caliński, T., & Harabasz, J. (1974). `"A Dendrite Method for Cluster Analysis" + `_. + :doi:`Communications in Statistics-theory and Methods 3: 1-27 + <10.1080/03610927408827101>`. -|details-end| .. _davies-bouldin_index: @@ -2149,49 +2057,41 @@ cluster analysis as follows: - The usage of centroid distance limits the distance metric to Euclidean space. +.. dropdown:: Mathematical formulation -|details-start| -**Mathematical formulation** -|details-split| + The index is defined as the average similarity between each cluster :math:`C_i` + for :math:`i=1, ..., k` and its most similar one :math:`C_j`. In the context of + this index, similarity is defined as a measure :math:`R_{ij}` that trades off: -The index is defined as the average similarity between each cluster :math:`C_i` -for :math:`i=1, ..., k` and its most similar one :math:`C_j`. In the context of -this index, similarity is defined as a measure :math:`R_{ij}` that trades off: + - :math:`s_i`, the average distance between each point of cluster :math:`i` and + the centroid of that cluster -- also know as cluster diameter. + - :math:`d_{ij}`, the distance between cluster centroids :math:`i` and + :math:`j`. -- :math:`s_i`, the average distance between each point of cluster :math:`i` and - the centroid of that cluster -- also know as cluster diameter. -- :math:`d_{ij}`, the distance between cluster centroids :math:`i` and - :math:`j`. + A simple choice to construct :math:`R_{ij}` so that it is nonnegative and + symmetric is: -A simple choice to construct :math:`R_{ij}` so that it is nonnegative and -symmetric is: + .. math:: + R_{ij} = \frac{s_i + s_j}{d_{ij}} -.. math:: - R_{ij} = \frac{s_i + s_j}{d_{ij}} + Then the Davies-Bouldin index is defined as: -Then the Davies-Bouldin index is defined as: + .. math:: + DB = \frac{1}{k} \sum_{i=1}^k \max_{i \neq j} R_{ij} -.. math:: - DB = \frac{1}{k} \sum_{i=1}^k \max_{i \neq j} R_{ij} +.. dropdown:: References -|details-end| + * Davies, David L.; Bouldin, Donald W. (1979). :doi:`"A Cluster Separation + Measure" <10.1109/TPAMI.1979.4766909>` IEEE Transactions on Pattern Analysis + and Machine Intelligence. PAMI-1 (2): 224-227. -|details-start| -**References** -|details-split| + * Halkidi, Maria; Batistakis, Yannis; Vazirgiannis, Michalis (2001). :doi:`"On + Clustering Validation Techniques" <10.1023/A:1012801612483>` Journal of + Intelligent Information Systems, 17(2-3), 107-145. -* Davies, David L.; Bouldin, Donald W. (1979). :doi:`"A Cluster Separation - Measure" <10.1109/TPAMI.1979.4766909>` IEEE Transactions on Pattern Analysis - and Machine Intelligence. PAMI-1 (2): 224-227. + * `Wikipedia entry for Davies-Bouldin index + `_. -* Halkidi, Maria; Batistakis, Yannis; Vazirgiannis, Michalis (2001). :doi:`"On - Clustering Validation Techniques" <10.1023/A:1012801612483>` Journal of - Intelligent Information Systems, 17(2-3), 107-145. - -* `Wikipedia entry for Davies-Bouldin index - `_. - -|details-end| .. _contingency_matrix: @@ -2241,15 +2141,11 @@ of classes. - It doesn't give a single metric to use as an objective for clustering optimisation. +.. dropdown:: References -|details-start| -**References** -|details-split| + * `Wikipedia entry for contingency matrix + `_ -* `Wikipedia entry for contingency matrix - `_ - -|details-end| .. _pair_confusion_matrix: @@ -2327,11 +2223,7 @@ diagonal entries:: array([[ 0, 0], [12, 0]]) -|details-start| -**References** -|details-split| - - * :doi:`"Comparing Partitions" <10.1007/BF01908075>` L. Hubert and P. Arabie, - Journal of Classification 1985 +.. dropdown:: References -|details-end| + * :doi:`"Comparing Partitions" <10.1007/BF01908075>` L. Hubert and P. Arabie, + Journal of Classification 1985 diff --git a/doc/modules/compose.rst b/doc/modules/compose.rst index 28931cf52f283..655ea551e0375 100644 --- a/doc/modules/compose.rst +++ b/doc/modules/compose.rst @@ -79,20 +79,16 @@ is an estimator object:: >>> pipe Pipeline(steps=[('reduce_dim', PCA()), ('clf', SVC())]) -|details-start| -**Shorthand version using :func:`make_pipeline`** -|details-split| +.. dropdown:: Shorthand version using :func:`make_pipeline` -The utility function :func:`make_pipeline` is a shorthand -for constructing pipelines; -it takes a variable number of estimators and returns a pipeline, -filling in the names automatically:: + The utility function :func:`make_pipeline` is a shorthand + for constructing pipelines; + it takes a variable number of estimators and returns a pipeline, + filling in the names automatically:: - >>> from sklearn.pipeline import make_pipeline - >>> make_pipeline(PCA(), SVC()) - Pipeline(steps=[('pca', PCA()), ('svc', SVC())]) - -|details-end| + >>> from sklearn.pipeline import make_pipeline + >>> make_pipeline(PCA(), SVC()) + Pipeline(steps=[('pca', PCA()), ('svc', SVC())]) Access pipeline steps ..................... @@ -108,27 +104,23 @@ permitted). This is convenient for performing only some of the transformations >>> pipe[-1:] Pipeline(steps=[('clf', SVC())]) -|details-start| -**Accessing a step by name or position** -|details-split| - -A specific step can also be accessed by index or name by indexing (with ``[idx]``) the -pipeline:: +.. dropdown:: Accessing a step by name or position - >>> pipe.steps[0] - ('reduce_dim', PCA()) - >>> pipe[0] - PCA() - >>> pipe['reduce_dim'] - PCA() + A specific step can also be accessed by index or name by indexing (with ``[idx]``) the + pipeline:: -`Pipeline`'s `named_steps` attribute allows accessing steps by name with tab -completion in interactive environments:: + >>> pipe.steps[0] + ('reduce_dim', PCA()) + >>> pipe[0] + PCA() + >>> pipe['reduce_dim'] + PCA() - >>> pipe.named_steps.reduce_dim is pipe['reduce_dim'] - True + `Pipeline`'s `named_steps` attribute allows accessing steps by name with tab + completion in interactive environments:: -|details-end| + >>> pipe.named_steps.reduce_dim is pipe['reduce_dim'] + True Tracking feature names in a pipeline .................................... @@ -149,17 +141,13 @@ pipeline slicing to get the feature names going into each step:: >>> pipe[:-1].get_feature_names_out() array(['x2', 'x3'], ...) -|details-start| -**Customize feature names** -|details-split| - -You can also provide custom feature names for the input data using -``get_feature_names_out``:: +.. dropdown:: Customize feature names - >>> pipe[:-1].get_feature_names_out(iris.feature_names) - array(['petal length (cm)', 'petal width (cm)'], ...) + You can also provide custom feature names for the input data using + ``get_feature_names_out``:: -|details-end| + >>> pipe[:-1].get_feature_names_out(iris.feature_names) + array(['petal length (cm)', 'petal width (cm)'], ...) .. _pipeline_nested_parameters: @@ -175,40 +163,37 @@ syntax:: >>> pipe.set_params(clf__C=10) Pipeline(steps=[('reduce_dim', PCA()), ('clf', SVC(C=10))]) -|details-start| -**When does it matter?** -|details-split| +.. dropdown:: When does it matter? -This is particularly important for doing grid searches:: + This is particularly important for doing grid searches:: - >>> from sklearn.model_selection import GridSearchCV - >>> param_grid = dict(reduce_dim__n_components=[2, 5, 10], - ... clf__C=[0.1, 10, 100]) - >>> grid_search = GridSearchCV(pipe, param_grid=param_grid) + >>> from sklearn.model_selection import GridSearchCV + >>> param_grid = dict(reduce_dim__n_components=[2, 5, 10], + ... clf__C=[0.1, 10, 100]) + >>> grid_search = GridSearchCV(pipe, param_grid=param_grid) -Individual steps may also be replaced as parameters, and non-final steps may be -ignored by setting them to ``'passthrough'``:: + Individual steps may also be replaced as parameters, and non-final steps may be + ignored by setting them to ``'passthrough'``:: - >>> param_grid = dict(reduce_dim=['passthrough', PCA(5), PCA(10)], - ... clf=[SVC(), LogisticRegression()], - ... clf__C=[0.1, 10, 100]) - >>> grid_search = GridSearchCV(pipe, param_grid=param_grid) + >>> param_grid = dict(reduce_dim=['passthrough', PCA(5), PCA(10)], + ... clf=[SVC(), LogisticRegression()], + ... clf__C=[0.1, 10, 100]) + >>> grid_search = GridSearchCV(pipe, param_grid=param_grid) -.. topic:: See Also: + .. seealso:: - * :ref:`composite_grid_search` + * :ref:`composite_grid_search` -|details-end| -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_feature_selection_plot_feature_selection_pipeline.py` - * :ref:`sphx_glr_auto_examples_model_selection_plot_grid_search_text_feature_extraction.py` - * :ref:`sphx_glr_auto_examples_compose_plot_digits_pipe.py` - * :ref:`sphx_glr_auto_examples_miscellaneous_plot_kernel_approximation.py` - * :ref:`sphx_glr_auto_examples_svm_plot_svm_anova.py` - * :ref:`sphx_glr_auto_examples_compose_plot_compare_reduction.py` - * :ref:`sphx_glr_auto_examples_miscellaneous_plot_pipeline_display.py` +* :ref:`sphx_glr_auto_examples_feature_selection_plot_feature_selection_pipeline.py` +* :ref:`sphx_glr_auto_examples_model_selection_plot_grid_search_text_feature_extraction.py` +* :ref:`sphx_glr_auto_examples_compose_plot_digits_pipe.py` +* :ref:`sphx_glr_auto_examples_miscellaneous_plot_kernel_approximation.py` +* :ref:`sphx_glr_auto_examples_svm_plot_svm_anova.py` +* :ref:`sphx_glr_auto_examples_compose_plot_compare_reduction.py` +* :ref:`sphx_glr_auto_examples_miscellaneous_plot_pipeline_display.py` .. _pipeline_cache: @@ -245,53 +230,49 @@ object:: >>> # Clear the cache directory when you don't need it anymore >>> rmtree(cachedir) -|details-start| -**Warning: Side effect of caching transformers** -|details-split| - -Using a :class:`Pipeline` without cache enabled, it is possible to -inspect the original instance such as:: - - >>> from sklearn.datasets import load_digits - >>> X_digits, y_digits = load_digits(return_X_y=True) - >>> pca1 = PCA(n_components=10) - >>> svm1 = SVC() - >>> pipe = Pipeline([('reduce_dim', pca1), ('clf', svm1)]) - >>> pipe.fit(X_digits, y_digits) - Pipeline(steps=[('reduce_dim', PCA(n_components=10)), ('clf', SVC())]) - >>> # The pca instance can be inspected directly - >>> pca1.components_.shape - (10, 64) - - -Enabling caching triggers a clone of the transformers before fitting. -Therefore, the transformer instance given to the pipeline cannot be -inspected directly. -In following example, accessing the :class:`~sklearn.decomposition.PCA` -instance ``pca2`` will raise an ``AttributeError`` since ``pca2`` will be an -unfitted transformer. -Instead, use the attribute ``named_steps`` to inspect estimators within -the pipeline:: - - >>> cachedir = mkdtemp() - >>> pca2 = PCA(n_components=10) - >>> svm2 = SVC() - >>> cached_pipe = Pipeline([('reduce_dim', pca2), ('clf', svm2)], - ... memory=cachedir) - >>> cached_pipe.fit(X_digits, y_digits) - Pipeline(memory=..., - steps=[('reduce_dim', PCA(n_components=10)), ('clf', SVC())]) - >>> cached_pipe.named_steps['reduce_dim'].components_.shape - (10, 64) - >>> # Remove the cache directory - >>> rmtree(cachedir) - - -|details-end| - -.. topic:: Examples: - - * :ref:`sphx_glr_auto_examples_compose_plot_compare_reduction.py` +.. dropdown:: Side effect of caching transformers + :color: warning + + Using a :class:`Pipeline` without cache enabled, it is possible to + inspect the original instance such as:: + + >>> from sklearn.datasets import load_digits + >>> X_digits, y_digits = load_digits(return_X_y=True) + >>> pca1 = PCA(n_components=10) + >>> svm1 = SVC() + >>> pipe = Pipeline([('reduce_dim', pca1), ('clf', svm1)]) + >>> pipe.fit(X_digits, y_digits) + Pipeline(steps=[('reduce_dim', PCA(n_components=10)), ('clf', SVC())]) + >>> # The pca instance can be inspected directly + >>> pca1.components_.shape + (10, 64) + + Enabling caching triggers a clone of the transformers before fitting. + Therefore, the transformer instance given to the pipeline cannot be + inspected directly. + In following example, accessing the :class:`~sklearn.decomposition.PCA` + instance ``pca2`` will raise an ``AttributeError`` since ``pca2`` will be an + unfitted transformer. + Instead, use the attribute ``named_steps`` to inspect estimators within + the pipeline:: + + >>> cachedir = mkdtemp() + >>> pca2 = PCA(n_components=10) + >>> svm2 = SVC() + >>> cached_pipe = Pipeline([('reduce_dim', pca2), ('clf', svm2)], + ... memory=cachedir) + >>> cached_pipe.fit(X_digits, y_digits) + Pipeline(memory=..., + steps=[('reduce_dim', PCA(n_components=10)), ('clf', SVC())]) + >>> cached_pipe.named_steps['reduce_dim'].components_.shape + (10, 64) + >>> # Remove the cache directory + >>> rmtree(cachedir) + + +.. rubric:: Examples + +* :ref:`sphx_glr_auto_examples_compose_plot_compare_reduction.py` .. _transformed_target_regressor: @@ -364,9 +345,9 @@ each other. However, it is possible to bypass this checking by setting pair of functions ``func`` and ``inverse_func``. However, setting both options will raise an error. -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_compose_plot_transformed_target.py` +* :ref:`sphx_glr_auto_examples_compose_plot_transformed_target.py` .. _feature_union: @@ -428,9 +409,9 @@ and ignored by setting to ``'drop'``:: FeatureUnion(transformer_list=[('linear_pca', PCA()), ('kernel_pca', 'drop')]) -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_compose_plot_feature_union.py` +* :ref:`sphx_glr_auto_examples_compose_plot_feature_union.py` .. _column_transformer: @@ -623,7 +604,7 @@ As an alternative, the HTML can be written to a file using >>> with open('my_estimator.html', 'w') as f: # doctest: +SKIP ... f.write(estimator_html_repr(clf)) -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_compose_plot_column_transformer.py` - * :ref:`sphx_glr_auto_examples_compose_plot_column_transformer_mixed_types.py` +* :ref:`sphx_glr_auto_examples_compose_plot_column_transformer.py` +* :ref:`sphx_glr_auto_examples_compose_plot_column_transformer_mixed_types.py` diff --git a/doc/modules/covariance.rst b/doc/modules/covariance.rst index 50927f9a677f6..847e489c87333 100644 --- a/doc/modules/covariance.rst +++ b/doc/modules/covariance.rst @@ -40,11 +40,10 @@ on whether the data are centered, so one may want to use the same mean vector as the training set. If not, both should be centered by the user, and ``assume_centered=True`` should be used. -.. topic:: Examples: +.. rubric:: Examples - * See :ref:`sphx_glr_auto_examples_covariance_plot_covariance_estimation.py` for - an example on how to fit an :class:`EmpiricalCovariance` object - to data. +* See :ref:`sphx_glr_auto_examples_covariance_plot_covariance_estimation.py` for + an example on how to fit an :class:`EmpiricalCovariance` object to data. .. _shrunk_covariance: @@ -84,11 +83,10 @@ Tr}\hat{\Sigma}}{p}\rm Id`. Choosing the amount of shrinkage, :math:`\alpha` amounts to setting a bias/variance trade-off, and is discussed below. -.. topic:: Examples: +.. rubric:: Examples - * See :ref:`sphx_glr_auto_examples_covariance_plot_covariance_estimation.py` for - an example on how to fit a :class:`ShrunkCovariance` object - to data. +* See :ref:`sphx_glr_auto_examples_covariance_plot_covariance_estimation.py` for + an example on how to fit a :class:`ShrunkCovariance` object to data. Ledoit-Wolf shrinkage @@ -121,18 +119,18 @@ fitting a :class:`LedoitWolf` object to the same sample. Since the population covariance is already a multiple of the identity matrix, the Ledoit-Wolf solution is indeed a reasonable estimate. -.. topic:: Examples: +.. rubric:: Examples - * See :ref:`sphx_glr_auto_examples_covariance_plot_covariance_estimation.py` for - an example on how to fit a :class:`LedoitWolf` object to data and - for visualizing the performances of the Ledoit-Wolf estimator in - terms of likelihood. +* See :ref:`sphx_glr_auto_examples_covariance_plot_covariance_estimation.py` for + an example on how to fit a :class:`LedoitWolf` object to data and + for visualizing the performances of the Ledoit-Wolf estimator in + terms of likelihood. -.. topic:: References: +.. rubric:: References - .. [1] O. Ledoit and M. Wolf, "A Well-Conditioned Estimator for Large-Dimensional - Covariance Matrices", Journal of Multivariate Analysis, Volume 88, Issue 2, - February 2004, pages 365-411. +.. [1] O. Ledoit and M. Wolf, "A Well-Conditioned Estimator for Large-Dimensional + Covariance Matrices", Journal of Multivariate Analysis, Volume 88, Issue 2, + February 2004, pages 365-411. .. _oracle_approximating_shrinkage: @@ -158,22 +156,21 @@ object to the same sample. Bias-variance trade-off when setting the shrinkage: comparing the choices of Ledoit-Wolf and OAS estimators -.. topic:: References: +.. rubric:: References - .. [2] :arxiv:`"Shrinkage algorithms for MMSE covariance estimation.", - Chen, Y., Wiesel, A., Eldar, Y. C., & Hero, A. O. - IEEE Transactions on Signal Processing, 58(10), 5016-5029, 2010. - <0907.4698>` +.. [2] :arxiv:`"Shrinkage algorithms for MMSE covariance estimation.", + Chen, Y., Wiesel, A., Eldar, Y. C., & Hero, A. O. + IEEE Transactions on Signal Processing, 58(10), 5016-5029, 2010. + <0907.4698>` -.. topic:: Examples: +.. rubric:: Examples - * See :ref:`sphx_glr_auto_examples_covariance_plot_covariance_estimation.py` for - an example on how to fit an :class:`OAS` object - to data. +* See :ref:`sphx_glr_auto_examples_covariance_plot_covariance_estimation.py` for + an example on how to fit an :class:`OAS` object to data. - * See :ref:`sphx_glr_auto_examples_covariance_plot_lw_vs_oas.py` to visualize the - Mean Squared Error difference between a :class:`LedoitWolf` and - an :class:`OAS` estimator of the covariance. +* See :ref:`sphx_glr_auto_examples_covariance_plot_lw_vs_oas.py` to visualize the + Mean Squared Error difference between a :class:`LedoitWolf` and + an :class:`OAS` estimator of the covariance. .. figure:: ../auto_examples/covariance/images/sphx_glr_plot_lw_vs_oas_001.png @@ -254,20 +251,20 @@ problem is the GLasso algorithm, from the Friedman 2008 Biostatistics paper. It is the same algorithm as in the R ``glasso`` package. -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_covariance_plot_sparse_cov.py`: example on synthetic - data showing some recovery of a structure, and comparing to other - covariance estimators. +* :ref:`sphx_glr_auto_examples_covariance_plot_sparse_cov.py`: example on synthetic + data showing some recovery of a structure, and comparing to other + covariance estimators. - * :ref:`sphx_glr_auto_examples_applications_plot_stock_market.py`: example on real - stock market data, finding which symbols are most linked. +* :ref:`sphx_glr_auto_examples_applications_plot_stock_market.py`: example on real + stock market data, finding which symbols are most linked. -.. topic:: References: +.. rubric:: References - * Friedman et al, `"Sparse inverse covariance estimation with the - graphical lasso" `_, - Biostatistics 9, pp 432, 2008 +* Friedman et al, `"Sparse inverse covariance estimation with the + graphical lasso" `_, + Biostatistics 9, pp 432, 2008 .. _robust_covariance: @@ -313,24 +310,24 @@ the same time. Raw estimates can be accessed as ``raw_location_`` and ``raw_covariance_`` attributes of a :class:`MinCovDet` robust covariance estimator object. -.. topic:: References: +.. rubric:: References - .. [3] P. J. Rousseeuw. Least median of squares regression. - J. Am Stat Ass, 79:871, 1984. - .. [4] A Fast Algorithm for the Minimum Covariance Determinant Estimator, - 1999, American Statistical Association and the American Society - for Quality, TECHNOMETRICS. +.. [3] P. J. Rousseeuw. Least median of squares regression. + J. Am Stat Ass, 79:871, 1984. +.. [4] A Fast Algorithm for the Minimum Covariance Determinant Estimator, + 1999, American Statistical Association and the American Society + for Quality, TECHNOMETRICS. -.. topic:: Examples: +.. rubric:: Examples - * See :ref:`sphx_glr_auto_examples_covariance_plot_robust_vs_empirical_covariance.py` for - an example on how to fit a :class:`MinCovDet` object to data and see how - the estimate remains accurate despite the presence of outliers. +* See :ref:`sphx_glr_auto_examples_covariance_plot_robust_vs_empirical_covariance.py` for + an example on how to fit a :class:`MinCovDet` object to data and see how + the estimate remains accurate despite the presence of outliers. - * See :ref:`sphx_glr_auto_examples_covariance_plot_mahalanobis_distances.py` to - visualize the difference between :class:`EmpiricalCovariance` and - :class:`MinCovDet` covariance estimators in terms of Mahalanobis distance - (so we get a better estimate of the precision matrix too). +* See :ref:`sphx_glr_auto_examples_covariance_plot_mahalanobis_distances.py` to + visualize the difference between :class:`EmpiricalCovariance` and + :class:`MinCovDet` covariance estimators in terms of Mahalanobis distance + (so we get a better estimate of the precision matrix too). .. |robust_vs_emp| image:: ../auto_examples/covariance/images/sphx_glr_plot_robust_vs_empirical_covariance_001.png :target: ../auto_examples/covariance/plot_robust_vs_empirical_covariance.html diff --git a/doc/modules/cross_decomposition.rst b/doc/modules/cross_decomposition.rst index 8f8d217f87144..2d630de699c7a 100644 --- a/doc/modules/cross_decomposition.rst +++ b/doc/modules/cross_decomposition.rst @@ -92,42 +92,35 @@ Step *a)* may be performed in two ways: either by computing the whole SVD of values, or by directly computing the singular vectors using the power method (cf section 11.3 in [1]_), which corresponds to the `'nipals'` option of the `algorithm` parameter. -|details-start| -**Transforming data** -|details-split| +.. dropdown:: Transforming data -To transform :math:`X` into :math:`\bar{X}`, we need to find a projection -matrix :math:`P` such that :math:`\bar{X} = XP`. We know that for the -training data, :math:`\Xi = XP`, and :math:`X = \Xi \Gamma^T`. Setting -:math:`P = U(\Gamma^T U)^{-1}` where :math:`U` is the matrix with the -:math:`u_k` in the columns, we have :math:`XP = X U(\Gamma^T U)^{-1} = \Xi -(\Gamma^T U) (\Gamma^T U)^{-1} = \Xi` as desired. The rotation matrix -:math:`P` can be accessed from the `x_rotations_` attribute. + To transform :math:`X` into :math:`\bar{X}`, we need to find a projection + matrix :math:`P` such that :math:`\bar{X} = XP`. We know that for the + training data, :math:`\Xi = XP`, and :math:`X = \Xi \Gamma^T`. Setting + :math:`P = U(\Gamma^T U)^{-1}` where :math:`U` is the matrix with the + :math:`u_k` in the columns, we have :math:`XP = X U(\Gamma^T U)^{-1} = \Xi + (\Gamma^T U) (\Gamma^T U)^{-1} = \Xi` as desired. The rotation matrix + :math:`P` can be accessed from the `x_rotations_` attribute. -Similarly, :math:`Y` can be transformed using the rotation matrix -:math:`V(\Delta^T V)^{-1}`, accessed via the `y_rotations_` attribute. -|details-end| + Similarly, :math:`Y` can be transformed using the rotation matrix + :math:`V(\Delta^T V)^{-1}`, accessed via the `y_rotations_` attribute. -|details-start| -**Predicting the targets Y** -|details-split| +.. dropdown:: Predicting the targets `Y` -To predict the targets of some data :math:`X`, we are looking for a -coefficient matrix :math:`\beta \in R^{d \times t}` such that :math:`Y = -X\beta`. + To predict the targets of some data :math:`X`, we are looking for a + coefficient matrix :math:`\beta \in R^{d \times t}` such that :math:`Y = + X\beta`. -The idea is to try to predict the transformed targets :math:`\Omega` as a -function of the transformed samples :math:`\Xi`, by computing :math:`\alpha -\in \mathbb{R}` such that :math:`\Omega = \alpha \Xi`. + The idea is to try to predict the transformed targets :math:`\Omega` as a + function of the transformed samples :math:`\Xi`, by computing :math:`\alpha + \in \mathbb{R}` such that :math:`\Omega = \alpha \Xi`. -Then, we have :math:`Y = \Omega \Delta^T = \alpha \Xi \Delta^T`, and since -:math:`\Xi` is the transformed training data we have that :math:`Y = X \alpha -P \Delta^T`, and as a result the coefficient matrix :math:`\beta = \alpha P -\Delta^T`. + Then, we have :math:`Y = \Omega \Delta^T = \alpha \Xi \Delta^T`, and since + :math:`\Xi` is the transformed training data we have that :math:`Y = X \alpha + P \Delta^T`, and as a result the coefficient matrix :math:`\beta = \alpha P + \Delta^T`. -:math:`\beta` can be accessed through the `coef_` attribute. - -|details-end| + :math:`\beta` can be accessed through the `coef_` attribute. PLSSVD ------ @@ -184,18 +177,13 @@ Since :class:`CCA` involves the inversion of :math:`X_k^TX_k` and :math:`Y_k^TY_k`, this estimator can be unstable if the number of features or targets is greater than the number of samples. -|details-start| -**Reference** -|details-split| - - .. [1] `A survey of Partial Least Squares (PLS) methods, with emphasis on - the two-block case - `_ - JA Wegelin +.. rubric:: References -|details-end| +.. [1] `A survey of Partial Least Squares (PLS) methods, with emphasis on the two-block + case `_, + JA Wegelin -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_cross_decomposition_plot_compare_cross_decomposition.py` - * :ref:`sphx_glr_auto_examples_cross_decomposition_plot_pcr_vs_pls.py` +* :ref:`sphx_glr_auto_examples_cross_decomposition_plot_compare_cross_decomposition.py` +* :ref:`sphx_glr_auto_examples_cross_decomposition_plot_pcr_vs_pls.py` diff --git a/doc/modules/cross_validation.rst b/doc/modules/cross_validation.rst index 34f14fe6846a2..defcd91a6008a 100644 --- a/doc/modules/cross_validation.rst +++ b/doc/modules/cross_validation.rst @@ -170,36 +170,33 @@ indices, for example:: >>> cross_val_score(clf, X, y, cv=custom_cv) array([1. , 0.973...]) -|details-start| -**Data transformation with held out data** -|details-split| +.. dropdown:: Data transformation with held-out data - Just as it is important to test a predictor on data held-out from - training, preprocessing (such as standardization, feature selection, etc.) - and similar :ref:`data transformations ` similarly should - be learnt from a training set and applied to held-out data for prediction:: + Just as it is important to test a predictor on data held-out from + training, preprocessing (such as standardization, feature selection, etc.) + and similar :ref:`data transformations ` similarly should + be learnt from a training set and applied to held-out data for prediction:: - >>> from sklearn import preprocessing - >>> X_train, X_test, y_train, y_test = train_test_split( - ... X, y, test_size=0.4, random_state=0) - >>> scaler = preprocessing.StandardScaler().fit(X_train) - >>> X_train_transformed = scaler.transform(X_train) - >>> clf = svm.SVC(C=1).fit(X_train_transformed, y_train) - >>> X_test_transformed = scaler.transform(X_test) - >>> clf.score(X_test_transformed, y_test) - 0.9333... + >>> from sklearn import preprocessing + >>> X_train, X_test, y_train, y_test = train_test_split( + ... X, y, test_size=0.4, random_state=0) + >>> scaler = preprocessing.StandardScaler().fit(X_train) + >>> X_train_transformed = scaler.transform(X_train) + >>> clf = svm.SVC(C=1).fit(X_train_transformed, y_train) + >>> X_test_transformed = scaler.transform(X_test) + >>> clf.score(X_test_transformed, y_test) + 0.9333... - A :class:`Pipeline ` makes it easier to compose - estimators, providing this behavior under cross-validation:: + A :class:`Pipeline ` makes it easier to compose + estimators, providing this behavior under cross-validation:: - >>> from sklearn.pipeline import make_pipeline - >>> clf = make_pipeline(preprocessing.StandardScaler(), svm.SVC(C=1)) - >>> cross_val_score(clf, X, y, cv=cv) - array([0.977..., 0.933..., 0.955..., 0.933..., 0.977...]) + >>> from sklearn.pipeline import make_pipeline + >>> clf = make_pipeline(preprocessing.StandardScaler(), svm.SVC(C=1)) + >>> cross_val_score(clf, X, y, cv=cv) + array([0.977..., 0.933..., 0.955..., 0.933..., 0.977...]) - See :ref:`combining_estimators`. + See :ref:`combining_estimators`. -|details-end| .. _multimetric_cross_validation: @@ -294,14 +291,14 @@ The function :func:`cross_val_predict` is appropriate for: The available cross validation iterators are introduced in the following section. -.. topic:: Examples +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_model_selection_plot_roc_crossval.py`, - * :ref:`sphx_glr_auto_examples_feature_selection_plot_rfe_with_cross_validation.py`, - * :ref:`sphx_glr_auto_examples_model_selection_plot_grid_search_digits.py`, - * :ref:`sphx_glr_auto_examples_model_selection_plot_grid_search_text_feature_extraction.py`, - * :ref:`sphx_glr_auto_examples_model_selection_plot_cv_predict.py`, - * :ref:`sphx_glr_auto_examples_model_selection_plot_nested_cross_validation_iris.py`. +* :ref:`sphx_glr_auto_examples_model_selection_plot_roc_crossval.py`, +* :ref:`sphx_glr_auto_examples_feature_selection_plot_rfe_with_cross_validation.py`, +* :ref:`sphx_glr_auto_examples_model_selection_plot_grid_search_digits.py`, +* :ref:`sphx_glr_auto_examples_model_selection_plot_grid_search_text_feature_extraction.py`, +* :ref:`sphx_glr_auto_examples_model_selection_plot_cv_predict.py`, +* :ref:`sphx_glr_auto_examples_model_selection_plot_nested_cross_validation_iris.py`. Cross validation iterators ========================== @@ -442,23 +439,19 @@ then 5- or 10- fold cross validation can overestimate the generalization error. As a general rule, most authors, and empirical evidence, suggest that 5- or 10- fold cross validation should be preferred to LOO. -|details-start| -**References** -|details-split| +.. dropdown:: References - * ``_; - * T. Hastie, R. Tibshirani, J. Friedman, `The Elements of Statistical Learning - `_, Springer 2009 - * L. Breiman, P. Spector `Submodel selection and evaluation in regression: The X-random case - `_, International Statistical Review 1992; - * R. Kohavi, `A Study of Cross-Validation and Bootstrap for Accuracy Estimation and Model Selection - `_, Intl. Jnt. Conf. AI - * R. Bharat Rao, G. Fung, R. Rosales, `On the Dangers of Cross-Validation. An Experimental Evaluation - `_, SIAM 2008; - * G. James, D. Witten, T. Hastie, R Tibshirani, `An Introduction to - Statistical Learning `_, Springer 2013. - -|details-end| + * ``_; + * T. Hastie, R. Tibshirani, J. Friedman, `The Elements of Statistical Learning + `_, Springer 2009 + * L. Breiman, P. Spector `Submodel selection and evaluation in regression: The X-random case + `_, International Statistical Review 1992; + * R. Kohavi, `A Study of Cross-Validation and Bootstrap for Accuracy Estimation and Model Selection + `_, Intl. Jnt. Conf. AI + * R. Bharat Rao, G. Fung, R. Rosales, `On the Dangers of Cross-Validation. An Experimental Evaluation + `_, SIAM 2008; + * G. James, D. Witten, T. Hastie, R Tibshirani, `An Introduction to + Statistical Learning `_, Springer 2013. .. _leave_p_out: @@ -700,30 +693,27 @@ Example:: [ 0 1 4 5 6 7 8 9 11 12 13 14] [ 2 3 10 15 16 17] [ 1 2 3 8 9 10 12 13 14 15 16 17] [ 0 4 5 6 7 11] -|details-start| -**Implementation notes** -|details-split| +.. dropdown:: Implementation notes -- With the current implementation full shuffle is not possible in most - scenarios. When shuffle=True, the following happens: + - With the current implementation full shuffle is not possible in most + scenarios. When shuffle=True, the following happens: - 1. All groups are shuffled. - 2. Groups are sorted by standard deviation of classes using stable sort. - 3. Sorted groups are iterated over and assigned to folds. + 1. All groups are shuffled. + 2. Groups are sorted by standard deviation of classes using stable sort. + 3. Sorted groups are iterated over and assigned to folds. - That means that only groups with the same standard deviation of class - distribution will be shuffled, which might be useful when each group has only - a single class. -- The algorithm greedily assigns each group to one of n_splits test sets, - choosing the test set that minimises the variance in class distribution - across test sets. Group assignment proceeds from groups with highest to - lowest variance in class frequency, i.e. large groups peaked on one or few - classes are assigned first. -- This split is suboptimal in a sense that it might produce imbalanced splits - even if perfect stratification is possible. If you have relatively close - distribution of classes in each group, using :class:`GroupKFold` is better. + That means that only groups with the same standard deviation of class + distribution will be shuffled, which might be useful when each group has only + a single class. + - The algorithm greedily assigns each group to one of n_splits test sets, + choosing the test set that minimises the variance in class distribution + across test sets. Group assignment proceeds from groups with highest to + lowest variance in class frequency, i.e. large groups peaked on one or few + classes are assigned first. + - This split is suboptimal in a sense that it might produce imbalanced splits + even if perfect stratification is possible. If you have relatively close + distribution of classes in each group, using :class:`GroupKFold` is better. -|details-end| Here is a visualization of cross-validation behavior for uneven groups: @@ -999,16 +989,12 @@ using brute force and internally fits ``(n_permutations + 1) * n_cv`` models. It is therefore only tractable with small datasets for which fitting an individual model is very fast. -.. topic:: Examples - - * :ref:`sphx_glr_auto_examples_model_selection_plot_permutation_tests_for_classification.py` +.. rubric:: Examples -|details-start| -**References** -|details-split| +* :ref:`sphx_glr_auto_examples_model_selection_plot_permutation_tests_for_classification.py` - * Ojala and Garriga. `Permutation Tests for Studying Classifier Performance - `_. - J. Mach. Learn. Res. 2010. +.. dropdown:: References -|details-end| + * Ojala and Garriga. `Permutation Tests for Studying Classifier Performance + `_. + J. Mach. Learn. Res. 2010. diff --git a/doc/modules/decomposition.rst b/doc/modules/decomposition.rst index e8241a92cfc3b..926a4482f1428 100644 --- a/doc/modules/decomposition.rst +++ b/doc/modules/decomposition.rst @@ -51,11 +51,11 @@ data based on the amount of variance it explains. As such it implements a :scale: 75% -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_decomposition_plot_pca_iris.py` - * :ref:`sphx_glr_auto_examples_decomposition_plot_pca_vs_lda.py` - * :ref:`sphx_glr_auto_examples_decomposition_plot_pca_vs_fa_model_selection.py` +* :ref:`sphx_glr_auto_examples_decomposition_plot_pca_iris.py` +* :ref:`sphx_glr_auto_examples_decomposition_plot_pca_vs_lda.py` +* :ref:`sphx_glr_auto_examples_decomposition_plot_pca_vs_fa_model_selection.py` .. _IncrementalPCA: @@ -97,9 +97,9 @@ input data for each feature before applying the SVD. :scale: 75% -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_decomposition_plot_incremental_pca.py` +* :ref:`sphx_glr_auto_examples_decomposition_plot_incremental_pca.py` .. _RandomizedPCA: @@ -160,20 +160,20 @@ Note: the implementation of ``inverse_transform`` in :class:`PCA` with ``transform`` even when ``whiten=False`` (default). -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_applications_plot_face_recognition.py` - * :ref:`sphx_glr_auto_examples_decomposition_plot_faces_decomposition.py` +* :ref:`sphx_glr_auto_examples_applications_plot_face_recognition.py` +* :ref:`sphx_glr_auto_examples_decomposition_plot_faces_decomposition.py` -.. topic:: References: +.. rubric:: References - * Algorithm 4.3 in - :arxiv:`"Finding structure with randomness: Stochastic algorithms for - constructing approximate matrix decompositions" <0909.4061>` - Halko, et al., 2009 +* Algorithm 4.3 in + :arxiv:`"Finding structure with randomness: Stochastic algorithms for + constructing approximate matrix decompositions" <0909.4061>` + Halko, et al., 2009 - * :arxiv:`"An implementation of a randomized algorithm for principal component - analysis" <1412.3510>` A. Szlam et al. 2014 +* :arxiv:`"An implementation of a randomized algorithm for principal component + analysis" <1412.3510>` A. Szlam et al. 2014 .. _SparsePCA: @@ -248,18 +248,18 @@ factorization, while larger values shrink many coefficients to zero. the algorithm is online along the features direction, not the samples direction. -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_decomposition_plot_faces_decomposition.py` +* :ref:`sphx_glr_auto_examples_decomposition_plot_faces_decomposition.py` -.. topic:: References: +.. rubric:: References - .. [Mrl09] `"Online Dictionary Learning for Sparse Coding" - `_ - J. Mairal, F. Bach, J. Ponce, G. Sapiro, 2009 - .. [Jen09] `"Structured Sparse Principal Component Analysis" - `_ - R. Jenatton, G. Obozinski, F. Bach, 2009 +.. [Mrl09] `"Online Dictionary Learning for Sparse Coding" + `_ + J. Mairal, F. Bach, J. Ponce, G. Sapiro, 2009 +.. [Jen09] `"Structured Sparse Principal Component Analysis" + `_ + R. Jenatton, G. Obozinski, F. Bach, 2009 .. _kernel_PCA: @@ -288,22 +288,23 @@ prediction (kernel dependency estimation). :class:`KernelPCA` supports both :meth:`KernelPCA.inverse_transform` is an approximation. See the example linked below for more details. -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_decomposition_plot_kernel_pca.py` +* :ref:`sphx_glr_auto_examples_decomposition_plot_kernel_pca.py` +* :ref:`sphx_glr_auto_examples_applications_plot_digits_denoising.py` -.. topic:: References: +.. rubric:: References - .. [Scholkopf1997] Schölkopf, Bernhard, Alexander Smola, and Klaus-Robert Müller. - `"Kernel principal component analysis." - `_ - International conference on artificial neural networks. - Springer, Berlin, Heidelberg, 1997. +.. [Scholkopf1997] Schölkopf, Bernhard, Alexander Smola, and Klaus-Robert Müller. + `"Kernel principal component analysis." + `_ + International conference on artificial neural networks. + Springer, Berlin, Heidelberg, 1997. - .. [Bakir2003] Bakır, Gökhan H., Jason Weston, and Bernhard Schölkopf. - `"Learning to find pre-images." - `_ - Advances in neural information processing systems 16 (2003): 449-456. +.. [Bakir2003] Bakır, Gökhan H., Jason Weston, and Bernhard Schölkopf. + `"Learning to find pre-images." + `_ + Advances in neural information processing systems 16 (2003): 449-456. .. _kPCA_Solvers: @@ -321,36 +322,33 @@ is much smaller than its size. This is a situation where approximate eigensolvers can provide speedup with very low precision loss. -|details-start| -**Eigensolvers** -|details-split| +.. dropdown:: Eigensolvers -The optional parameter ``eigen_solver='randomized'`` can be used to -*significantly* reduce the computation time when the number of requested -``n_components`` is small compared with the number of samples. It relies on -randomized decomposition methods to find an approximate solution in a shorter -time. + The optional parameter ``eigen_solver='randomized'`` can be used to + *significantly* reduce the computation time when the number of requested + ``n_components`` is small compared with the number of samples. It relies on + randomized decomposition methods to find an approximate solution in a shorter + time. -The time complexity of the randomized :class:`KernelPCA` is -:math:`O(n_{\mathrm{samples}}^2 \cdot n_{\mathrm{components}})` -instead of :math:`O(n_{\mathrm{samples}}^3)` for the exact method -implemented with ``eigen_solver='dense'``. + The time complexity of the randomized :class:`KernelPCA` is + :math:`O(n_{\mathrm{samples}}^2 \cdot n_{\mathrm{components}})` + instead of :math:`O(n_{\mathrm{samples}}^3)` for the exact method + implemented with ``eigen_solver='dense'``. -The memory footprint of randomized :class:`KernelPCA` is also proportional to -:math:`2 \cdot n_{\mathrm{samples}} \cdot n_{\mathrm{components}}` instead of -:math:`n_{\mathrm{samples}}^2` for the exact method. + The memory footprint of randomized :class:`KernelPCA` is also proportional to + :math:`2 \cdot n_{\mathrm{samples}} \cdot n_{\mathrm{components}}` instead of + :math:`n_{\mathrm{samples}}^2` for the exact method. -Note: this technique is the same as in :ref:`RandomizedPCA`. + Note: this technique is the same as in :ref:`RandomizedPCA`. -In addition to the above two solvers, ``eigen_solver='arpack'`` can be used as -an alternate way to get an approximate decomposition. In practice, this method -only provides reasonable execution times when the number of components to find -is extremely small. It is enabled by default when the desired number of -components is less than 10 (strict) and the number of samples is more than 200 -(strict). See :class:`KernelPCA` for details. + In addition to the above two solvers, ``eigen_solver='arpack'`` can be used as + an alternate way to get an approximate decomposition. In practice, this method + only provides reasonable execution times when the number of components to find + is extremely small. It is enabled by default when the desired number of + components is less than 10 (strict) and the number of samples is more than 200 + (strict). See :class:`KernelPCA` for details. - -.. topic:: References: + .. rubric:: References * *dense* solver: `scipy.linalg.eigh documentation @@ -372,8 +370,6 @@ components is less than 10 (strict) and the number of samples is more than 200 `_ R. B. Lehoucq, D. C. Sorensen, and C. Yang, (1998) -|details-end| - .. _LSA: @@ -390,72 +386,67 @@ When the columnwise (per-feature) means of :math:`X` are subtracted from the feature values, truncated SVD on the resulting matrix is equivalent to PCA. -|details-start| -**About truncated SVD and latent semantic analysis (LSA)** -|details-split| - -When truncated SVD is applied to term-document matrices -(as returned by :class:`~sklearn.feature_extraction.text.CountVectorizer` or -:class:`~sklearn.feature_extraction.text.TfidfVectorizer`), -this transformation is known as -`latent semantic analysis `_ -(LSA), because it transforms such matrices -to a "semantic" space of low dimensionality. -In particular, LSA is known to combat the effects of synonymy and polysemy -(both of which roughly mean there are multiple meanings per word), -which cause term-document matrices to be overly sparse -and exhibit poor similarity under measures such as cosine similarity. +.. dropdown:: About truncated SVD and latent semantic analysis (LSA) -.. note:: - LSA is also known as latent semantic indexing, LSI, - though strictly that refers to its use in persistent indexes - for information retrieval purposes. + When truncated SVD is applied to term-document matrices + (as returned by :class:`~sklearn.feature_extraction.text.CountVectorizer` or + :class:`~sklearn.feature_extraction.text.TfidfVectorizer`), + this transformation is known as + `latent semantic analysis `_ + (LSA), because it transforms such matrices + to a "semantic" space of low dimensionality. + In particular, LSA is known to combat the effects of synonymy and polysemy + (both of which roughly mean there are multiple meanings per word), + which cause term-document matrices to be overly sparse + and exhibit poor similarity under measures such as cosine similarity. -Mathematically, truncated SVD applied to training samples :math:`X` -produces a low-rank approximation :math:`X`: - -.. math:: - X \approx X_k = U_k \Sigma_k V_k^\top + .. note:: + LSA is also known as latent semantic indexing, LSI, + though strictly that refers to its use in persistent indexes + for information retrieval purposes. -After this operation, :math:`U_k \Sigma_k` -is the transformed training set with :math:`k` features -(called ``n_components`` in the API). + Mathematically, truncated SVD applied to training samples :math:`X` + produces a low-rank approximation :math:`X`: -To also transform a test set :math:`X`, we multiply it with :math:`V_k`: + .. math:: + X \approx X_k = U_k \Sigma_k V_k^\top -.. math:: - X' = X V_k + After this operation, :math:`U_k \Sigma_k` + is the transformed training set with :math:`k` features + (called ``n_components`` in the API). -.. note:: - Most treatments of LSA in the natural language processing (NLP) - and information retrieval (IR) literature - swap the axes of the matrix :math:`X` so that it has shape - ``n_features`` × ``n_samples``. - We present LSA in a different way that matches the scikit-learn API better, - but the singular values found are the same. + To also transform a test set :math:`X`, we multiply it with :math:`V_k`: + .. math:: + X' = X V_k -While the :class:`TruncatedSVD` transformer -works with any feature matrix, -using it on tf–idf matrices is recommended over raw frequency counts -in an LSA/document processing setting. -In particular, sublinear scaling and inverse document frequency -should be turned on (``sublinear_tf=True, use_idf=True``) -to bring the feature values closer to a Gaussian distribution, -compensating for LSA's erroneous assumptions about textual data. + .. note:: + Most treatments of LSA in the natural language processing (NLP) + and information retrieval (IR) literature + swap the axes of the matrix :math:`X` so that it has shape + ``(n_features, n_samples)``. + We present LSA in a different way that matches the scikit-learn API better, + but the singular values found are the same. -|details-end| + While the :class:`TruncatedSVD` transformer + works with any feature matrix, + using it on tf-idf matrices is recommended over raw frequency counts + in an LSA/document processing setting. + In particular, sublinear scaling and inverse document frequency + should be turned on (``sublinear_tf=True, use_idf=True``) + to bring the feature values closer to a Gaussian distribution, + compensating for LSA's erroneous assumptions about textual data. -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_text_plot_document_clustering.py` +* :ref:`sphx_glr_auto_examples_text_plot_document_clustering.py` -.. topic:: References: +.. rubric:: References - * Christopher D. Manning, Prabhakar Raghavan and Hinrich Schütze (2008), - *Introduction to Information Retrieval*, Cambridge University Press, - chapter 18: `Matrix decompositions & latent semantic indexing - `_ +* Christopher D. Manning, Prabhakar Raghavan and Hinrich Schütze (2008), + *Introduction to Information Retrieval*, Cambridge University Press, + chapter 18: `Matrix decompositions & latent semantic indexing + `_ @@ -509,9 +500,9 @@ the split code is filled with the negative part of the code vector, only with a positive sign. Therefore, the split_code is non-negative. -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_decomposition_plot_sparse_coding.py` +* :ref:`sphx_glr_auto_examples_decomposition_plot_sparse_coding.py` Generic dictionary learning @@ -591,16 +582,16 @@ extracted from part of the image of a raccoon face looks like. :scale: 50% -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_decomposition_plot_image_denoising.py` +* :ref:`sphx_glr_auto_examples_decomposition_plot_image_denoising.py` -.. topic:: References: +.. rubric:: References - * `"Online dictionary learning for sparse coding" - `_ - J. Mairal, F. Bach, J. Ponce, G. Sapiro, 2009 +* `"Online dictionary learning for sparse coding" + `_ + J. Mairal, F. Bach, J. Ponce, G. Sapiro, 2009 .. _MiniBatchDictionaryLearning: @@ -731,10 +722,10 @@ Varimax rotation maximizes the sum of the variances of the squared loadings, i.e., it tends to produce sparser factors, which are influenced by only a few features each (the "simple structure"). See e.g., the first example below. -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_decomposition_plot_varimax_fa.py` - * :ref:`sphx_glr_auto_examples_decomposition_plot_pca_vs_fa_model_selection.py` +* :ref:`sphx_glr_auto_examples_decomposition_plot_varimax_fa.py` +* :ref:`sphx_glr_auto_examples_decomposition_plot_pca_vs_fa_model_selection.py` .. _ICA: @@ -773,11 +764,11 @@ components with some sparsity: .. centered:: |pca_img4| |ica_img4| -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_decomposition_plot_ica_blind_source_separation.py` - * :ref:`sphx_glr_auto_examples_decomposition_plot_ica_vs_pca.py` - * :ref:`sphx_glr_auto_examples_decomposition_plot_faces_decomposition.py` +* :ref:`sphx_glr_auto_examples_decomposition_plot_ica_blind_source_separation.py` +* :ref:`sphx_glr_auto_examples_decomposition_plot_ica_vs_pca.py` +* :ref:`sphx_glr_auto_examples_decomposition_plot_faces_decomposition.py` .. _NMF: @@ -900,24 +891,20 @@ Note that this definition is not valid if :math:`\beta \in (0; 1)`, yet it can be continuously extended to the definitions of :math:`d_{KL}` and :math:`d_{IS}` respectively. -|details-start| -**NMF implemented solvers** -|details-split| - -:class:`NMF` implements two solvers, using Coordinate Descent ('cd') [5]_, and -Multiplicative Update ('mu') [6]_. The 'mu' solver can optimize every -beta-divergence, including of course the Frobenius norm (:math:`\beta=2`), the -(generalized) Kullback-Leibler divergence (:math:`\beta=1`) and the -Itakura-Saito divergence (:math:`\beta=0`). Note that for -:math:`\beta \in (1; 2)`, the 'mu' solver is significantly faster than for other -values of :math:`\beta`. Note also that with a negative (or 0, i.e. -'itakura-saito') :math:`\beta`, the input matrix cannot contain zero values. +.. dropdown:: NMF implemented solvers -The 'cd' solver can only optimize the Frobenius norm. Due to the -underlying non-convexity of NMF, the different solvers may converge to -different minima, even when optimizing the same distance function. + :class:`NMF` implements two solvers, using Coordinate Descent ('cd') [5]_, and + Multiplicative Update ('mu') [6]_. The 'mu' solver can optimize every + beta-divergence, including of course the Frobenius norm (:math:`\beta=2`), the + (generalized) Kullback-Leibler divergence (:math:`\beta=1`) and the + Itakura-Saito divergence (:math:`\beta=0`). Note that for + :math:`\beta \in (1; 2)`, the 'mu' solver is significantly faster than for other + values of :math:`\beta`. Note also that with a negative (or 0, i.e. + 'itakura-saito') :math:`\beta`, the input matrix cannot contain zero values. -|details-end| + The 'cd' solver can only optimize the Frobenius norm. Due to the + underlying non-convexity of NMF, the different solvers may converge to + different minima, even when optimizing the same distance function. NMF is best used with the ``fit_transform`` method, which returns the matrix W. The matrix H is stored into the fitted model in the ``components_`` attribute; @@ -935,10 +922,10 @@ stored components:: -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_decomposition_plot_faces_decomposition.py` - * :ref:`sphx_glr_auto_examples_applications_plot_topics_extraction_with_nmf_lda.py` +* :ref:`sphx_glr_auto_examples_decomposition_plot_faces_decomposition.py` +* :ref:`sphx_glr_auto_examples_applications_plot_topics_extraction_with_nmf_lda.py` .. _MiniBatchNMF: @@ -963,33 +950,33 @@ The estimator also implements ``partial_fit``, which updates ``H`` by iterating only once over a mini-batch. This can be used for online learning when the data is not readily available from the start, or when the data does not fit into memory. -.. topic:: References: +.. rubric:: References - .. [1] `"Learning the parts of objects by non-negative matrix factorization" - `_ - D. Lee, S. Seung, 1999 +.. [1] `"Learning the parts of objects by non-negative matrix factorization" + `_ + D. Lee, S. Seung, 1999 - .. [2] `"Non-negative Matrix Factorization with Sparseness Constraints" - `_ - P. Hoyer, 2004 +.. [2] `"Non-negative Matrix Factorization with Sparseness Constraints" + `_ + P. Hoyer, 2004 - .. [4] `"SVD based initialization: A head start for nonnegative - matrix factorization" - `_ - C. Boutsidis, E. Gallopoulos, 2008 +.. [4] `"SVD based initialization: A head start for nonnegative + matrix factorization" + `_ + C. Boutsidis, E. Gallopoulos, 2008 - .. [5] `"Fast local algorithms for large scale nonnegative matrix and tensor - factorizations." - `_ - A. Cichocki, A. Phan, 2009 +.. [5] `"Fast local algorithms for large scale nonnegative matrix and tensor + factorizations." + `_ + A. Cichocki, A. Phan, 2009 - .. [6] :arxiv:`"Algorithms for nonnegative matrix factorization with - the beta-divergence" <1010.1763>` - C. Fevotte, J. Idier, 2011 +.. [6] :arxiv:`"Algorithms for nonnegative matrix factorization with + the beta-divergence" <1010.1763>` + C. Fevotte, J. Idier, 2011 - .. [7] :arxiv:`"Online algorithms for nonnegative matrix factorization with the - Itakura-Saito divergence" <1106.4198>` - A. Lefevre, F. Bach, C. Fevotte, 2011 +.. [7] :arxiv:`"Online algorithms for nonnegative matrix factorization with the + Itakura-Saito divergence" <1106.4198>` + A. Lefevre, F. Bach, C. Fevotte, 2011 .. _LatentDirichletAllocation: @@ -1021,51 +1008,48 @@ of topics in the corpus and the distribution of words in the documents. The goal of LDA is to use the observed words to infer the hidden topic structure. -|details-start| -**Details on modeling text corpora** -|details-split| +.. dropdown:: Details on modeling text corpora -When modeling text corpora, the model assumes the following generative process -for a corpus with :math:`D` documents and :math:`K` topics, with :math:`K` -corresponding to `n_components` in the API: + When modeling text corpora, the model assumes the following generative process + for a corpus with :math:`D` documents and :math:`K` topics, with :math:`K` + corresponding to `n_components` in the API: -1. For each topic :math:`k \in K`, draw :math:`\beta_k \sim - \mathrm{Dirichlet}(\eta)`. This provides a distribution over the words, - i.e. the probability of a word appearing in topic :math:`k`. - :math:`\eta` corresponds to `topic_word_prior`. + 1. For each topic :math:`k \in K`, draw :math:`\beta_k \sim + \mathrm{Dirichlet}(\eta)`. This provides a distribution over the words, + i.e. the probability of a word appearing in topic :math:`k`. + :math:`\eta` corresponds to `topic_word_prior`. -2. For each document :math:`d \in D`, draw the topic proportions - :math:`\theta_d \sim \mathrm{Dirichlet}(\alpha)`. :math:`\alpha` - corresponds to `doc_topic_prior`. + 2. For each document :math:`d \in D`, draw the topic proportions + :math:`\theta_d \sim \mathrm{Dirichlet}(\alpha)`. :math:`\alpha` + corresponds to `doc_topic_prior`. -3. For each word :math:`i` in document :math:`d`: + 3. For each word :math:`i` in document :math:`d`: - a. Draw the topic assignment :math:`z_{di} \sim \mathrm{Multinomial} - (\theta_d)` - b. Draw the observed word :math:`w_{ij} \sim \mathrm{Multinomial} - (\beta_{z_{di}})` + a. Draw the topic assignment :math:`z_{di} \sim \mathrm{Multinomial} + (\theta_d)` + b. Draw the observed word :math:`w_{ij} \sim \mathrm{Multinomial} + (\beta_{z_{di}})` -For parameter estimation, the posterior distribution is: + For parameter estimation, the posterior distribution is: -.. math:: - p(z, \theta, \beta |w, \alpha, \eta) = - \frac{p(z, \theta, \beta|\alpha, \eta)}{p(w|\alpha, \eta)} + .. math:: + p(z, \theta, \beta |w, \alpha, \eta) = + \frac{p(z, \theta, \beta|\alpha, \eta)}{p(w|\alpha, \eta)} -Since the posterior is intractable, variational Bayesian method -uses a simpler distribution :math:`q(z,\theta,\beta | \lambda, \phi, \gamma)` -to approximate it, and those variational parameters :math:`\lambda`, -:math:`\phi`, :math:`\gamma` are optimized to maximize the Evidence -Lower Bound (ELBO): + Since the posterior is intractable, variational Bayesian method + uses a simpler distribution :math:`q(z,\theta,\beta | \lambda, \phi, \gamma)` + to approximate it, and those variational parameters :math:`\lambda`, + :math:`\phi`, :math:`\gamma` are optimized to maximize the Evidence + Lower Bound (ELBO): -.. math:: - \log\: P(w | \alpha, \eta) \geq L(w,\phi,\gamma,\lambda) \overset{\triangle}{=} - E_{q}[\log\:p(w,z,\theta,\beta|\alpha,\eta)] - E_{q}[\log\:q(z, \theta, \beta)] + .. math:: + \log\: P(w | \alpha, \eta) \geq L(w,\phi,\gamma,\lambda) \overset{\triangle}{=} + E_{q}[\log\:p(w,z,\theta,\beta|\alpha,\eta)] - E_{q}[\log\:q(z, \theta, \beta)] -Maximizing ELBO is equivalent to minimizing the Kullback-Leibler(KL) divergence -between :math:`q(z,\theta,\beta)` and the true posterior -:math:`p(z, \theta, \beta |w, \alpha, \eta)`. + Maximizing ELBO is equivalent to minimizing the Kullback-Leibler(KL) divergence + between :math:`q(z,\theta,\beta)` and the true posterior + :math:`p(z, \theta, \beta |w, \alpha, \eta)`. -|details-end| :class:`LatentDirichletAllocation` implements the online variational Bayes algorithm and supports both online and batch update methods. @@ -1087,27 +1071,27 @@ can be calculated from ``transform`` method. :class:`LatentDirichletAllocation` also implements ``partial_fit`` method. This is used when data can be fetched sequentially. -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_applications_plot_topics_extraction_with_nmf_lda.py` +* :ref:`sphx_glr_auto_examples_applications_plot_topics_extraction_with_nmf_lda.py` -.. topic:: References: +.. rubric:: References - * `"Latent Dirichlet Allocation" - `_ - D. Blei, A. Ng, M. Jordan, 2003 +* `"Latent Dirichlet Allocation" + `_ + D. Blei, A. Ng, M. Jordan, 2003 - * `"Online Learning for Latent Dirichlet Allocation” - `_ - M. Hoffman, D. Blei, F. Bach, 2010 +* `"Online Learning for Latent Dirichlet Allocation” + `_ + M. Hoffman, D. Blei, F. Bach, 2010 - * `"Stochastic Variational Inference" - `_ - M. Hoffman, D. Blei, C. Wang, J. Paisley, 2013 +* `"Stochastic Variational Inference" + `_ + M. Hoffman, D. Blei, C. Wang, J. Paisley, 2013 - * `"The varimax criterion for analytic rotation in factor analysis" - `_ - H. F. Kaiser, 1958 +* `"The varimax criterion for analytic rotation in factor analysis" + `_ + H. F. Kaiser, 1958 See also :ref:`nca_dim_reduction` for dimensionality reduction with Neighborhood Components Analysis. diff --git a/doc/modules/density.rst b/doc/modules/density.rst index 5a9b456010aa3..39264f226185d 100644 --- a/doc/modules/density.rst +++ b/doc/modules/density.rst @@ -113,37 +113,34 @@ forms, which are shown in the following figure: .. centered:: |kde_kernels| -|details-start| -**kernels' mathematical expressions** -|details-split| +.. dropdown:: Kernels' mathematical expressions -The form of these kernels is as follows: + The form of these kernels is as follows: -* Gaussian kernel (``kernel = 'gaussian'``) + * Gaussian kernel (``kernel = 'gaussian'``) - :math:`K(x; h) \propto \exp(- \frac{x^2}{2h^2} )` + :math:`K(x; h) \propto \exp(- \frac{x^2}{2h^2} )` -* Tophat kernel (``kernel = 'tophat'``) + * Tophat kernel (``kernel = 'tophat'``) - :math:`K(x; h) \propto 1` if :math:`x < h` + :math:`K(x; h) \propto 1` if :math:`x < h` -* Epanechnikov kernel (``kernel = 'epanechnikov'``) + * Epanechnikov kernel (``kernel = 'epanechnikov'``) - :math:`K(x; h) \propto 1 - \frac{x^2}{h^2}` + :math:`K(x; h) \propto 1 - \frac{x^2}{h^2}` -* Exponential kernel (``kernel = 'exponential'``) + * Exponential kernel (``kernel = 'exponential'``) - :math:`K(x; h) \propto \exp(-x/h)` + :math:`K(x; h) \propto \exp(-x/h)` -* Linear kernel (``kernel = 'linear'``) + * Linear kernel (``kernel = 'linear'``) - :math:`K(x; h) \propto 1 - x/h` if :math:`x < h` + :math:`K(x; h) \propto 1 - x/h` if :math:`x < h` -* Cosine kernel (``kernel = 'cosine'``) + * Cosine kernel (``kernel = 'cosine'``) - :math:`K(x; h) \propto \cos(\frac{\pi x}{2h})` if :math:`x < h` + :math:`K(x; h) \propto \cos(\frac{\pi x}{2h})` if :math:`x < h` -|details-end| The kernel density estimator can be used with any of the valid distance metrics (see :class:`~sklearn.metrics.DistanceMetric` for a list of @@ -177,14 +174,14 @@ on a PCA projection of the data: The "new" data consists of linear combinations of the input data, with weights probabilistically drawn given the KDE model. -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_neighbors_plot_kde_1d.py`: computation of simple kernel - density estimates in one dimension. +* :ref:`sphx_glr_auto_examples_neighbors_plot_kde_1d.py`: computation of simple kernel + density estimates in one dimension. - * :ref:`sphx_glr_auto_examples_neighbors_plot_digits_kde_sampling.py`: an example of using - Kernel Density estimation to learn a generative model of the hand-written - digits data, and drawing new samples from this model. +* :ref:`sphx_glr_auto_examples_neighbors_plot_digits_kde_sampling.py`: an example of using + Kernel Density estimation to learn a generative model of the hand-written + digits data, and drawing new samples from this model. - * :ref:`sphx_glr_auto_examples_neighbors_plot_species_kde.py`: an example of Kernel Density - estimation using the Haversine distance metric to visualize geospatial data +* :ref:`sphx_glr_auto_examples_neighbors_plot_species_kde.py`: an example of Kernel Density + estimation using the Haversine distance metric to visualize geospatial data diff --git a/doc/modules/ensemble.rst b/doc/modules/ensemble.rst index 4237d023973f7..08c831431d197 100644 --- a/doc/modules/ensemble.rst +++ b/doc/modules/ensemble.rst @@ -18,10 +18,6 @@ trees, in averaging methods such as :ref:`Bagging methods `, :ref:`model stacking `, or :ref:`Voting `, or in boosting, as :ref:`AdaBoost `. -.. contents:: - :local: - :depth: 1 - .. _gradient_boosting: Gradient-boosted trees @@ -78,10 +74,10 @@ estimators is slightly different, and some of the features from :class:`GradientBoostingClassifier` and :class:`GradientBoostingRegressor` are not yet supported, for instance some loss functions. -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_inspection_plot_partial_dependence.py` - * :ref:`sphx_glr_auto_examples_ensemble_plot_forest_hist_grad_boosting_comparison.py` +* :ref:`sphx_glr_auto_examples_inspection_plot_partial_dependence.py` +* :ref:`sphx_glr_auto_examples_ensemble_plot_forest_hist_grad_boosting_comparison.py` Usage ^^^^^ @@ -126,43 +122,40 @@ in [XGBoost]_): \mathcal{L}(\phi) = \sum_i l(\hat{y}_i, y_i) + \frac12 \sum_k \lambda ||w_k||^2 -|details-start| -**Details on l2 regularization**: -|details-split| - -It is important to notice that the loss term :math:`l(\hat{y}_i, y_i)` describes -only half of the actual loss function except for the pinball loss and absolute -error. - -The index :math:`k` refers to the k-th tree in the ensemble of trees. In the -case of regression and binary classification, gradient boosting models grow one -tree per iteration, then :math:`k` runs up to `max_iter`. In the case of -multiclass classification problems, the maximal value of the index :math:`k` is -`n_classes` :math:`\times` `max_iter`. - -If :math:`T_k` denotes the number of leaves in the k-th tree, then :math:`w_k` -is a vector of length :math:`T_k`, which contains the leaf values of the form `w -= -sum_gradient / (sum_hessian + l2_regularization)` (see equation (5) in -[XGBoost]_). - -The leaf values :math:`w_k` are derived by dividing the sum of the gradients of -the loss function by the combined sum of hessians. Adding the regularization to -the denominator penalizes the leaves with small hessians (flat regions), -resulting in smaller updates. Those :math:`w_k` values contribute then to the -model's prediction for a given input that ends up in the corresponding leaf. The -final prediction is the sum of the base prediction and the contributions from -each tree. The result of that sum is then transformed by the inverse link -function depending on the choice of the loss function (see -:ref:`gradient_boosting_formulation`). - -Notice that the original paper [XGBoost]_ introduces a term :math:`\gamma\sum_k -T_k` that penalizes the number of leaves (making it a smooth version of -`max_leaf_nodes`) not presented here as it is not implemented in scikit-learn; -whereas :math:`\lambda` penalizes the magnitude of the individual tree -predictions before being rescaled by the learning rate, see -:ref:`gradient_boosting_shrinkage`. - -|details-end| +.. dropdown:: Details on l2 regularization + + It is important to notice that the loss term :math:`l(\hat{y}_i, y_i)` describes + only half of the actual loss function except for the pinball loss and absolute + error. + + The index :math:`k` refers to the k-th tree in the ensemble of trees. In the + case of regression and binary classification, gradient boosting models grow one + tree per iteration, then :math:`k` runs up to `max_iter`. In the case of + multiclass classification problems, the maximal value of the index :math:`k` is + `n_classes` :math:`\times` `max_iter`. + + If :math:`T_k` denotes the number of leaves in the k-th tree, then :math:`w_k` + is a vector of length :math:`T_k`, which contains the leaf values of the form `w + = -sum_gradient / (sum_hessian + l2_regularization)` (see equation (5) in + [XGBoost]_). + + The leaf values :math:`w_k` are derived by dividing the sum of the gradients of + the loss function by the combined sum of hessians. Adding the regularization to + the denominator penalizes the leaves with small hessians (flat regions), + resulting in smaller updates. Those :math:`w_k` values contribute then to the + model's prediction for a given input that ends up in the corresponding leaf. The + final prediction is the sum of the base prediction and the contributions from + each tree. The result of that sum is then transformed by the inverse link + function depending on the choice of the loss function (see + :ref:`gradient_boosting_formulation`). + + Notice that the original paper [XGBoost]_ introduces a term :math:`\gamma\sum_k + T_k` that penalizes the number of leaves (making it a smooth version of + `max_leaf_nodes`) not presented here as it is not implemented in scikit-learn; + whereas :math:`\lambda` penalizes the magnitude of the individual tree + predictions before being rescaled by the learning rate, see + :ref:`gradient_boosting_shrinkage`. + Note that **early-stopping is enabled by default if the number of samples is larger than 10,000**. The early-stopping behaviour is controlled via the @@ -213,9 +206,9 @@ If no missing values were encountered for a given feature during training, then samples with missing values are mapped to whichever child has the most samples. -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_ensemble_plot_hgbt_regression.py` +* :ref:`sphx_glr_auto_examples_ensemble_plot_hgbt_regression.py` .. _sw_hgbdt: @@ -302,30 +295,25 @@ the most samples (just like for continuous features). When predicting, categories that were not seen during fit time will be treated as missing values. -|details-start| -**Split finding with categorical features**: -|details-split| +.. dropdown:: Split finding with categorical features -The canonical way of considering -categorical splits in a tree is to consider -all of the :math:`2^{K - 1} - 1` partitions, where :math:`K` is the number of -categories. This can quickly become prohibitive when :math:`K` is large. -Fortunately, since gradient boosting trees are always regression trees (even -for classification problems), there exist a faster strategy that can yield -equivalent splits. First, the categories of a feature are sorted according to -the variance of the target, for each category `k`. Once the categories are -sorted, one can consider *continuous partitions*, i.e. treat the categories -as if they were ordered continuous values (see Fisher [Fisher1958]_ for a -formal proof). As a result, only :math:`K - 1` splits need to be considered -instead of :math:`2^{K - 1} - 1`. The initial sorting is a -:math:`\mathcal{O}(K \log(K))` operation, leading to a total complexity of -:math:`\mathcal{O}(K \log(K) + K)`, instead of :math:`\mathcal{O}(2^K)`. + The canonical way of considering categorical splits in a tree is to consider + all of the :math:`2^{K - 1} - 1` partitions, where :math:`K` is the number of + categories. This can quickly become prohibitive when :math:`K` is large. + Fortunately, since gradient boosting trees are always regression trees (even + for classification problems), there exist a faster strategy that can yield + equivalent splits. First, the categories of a feature are sorted according to + the variance of the target, for each category `k`. Once the categories are + sorted, one can consider *continuous partitions*, i.e. treat the categories + as if they were ordered continuous values (see Fisher [Fisher1958]_ for a + formal proof). As a result, only :math:`K - 1` splits need to be considered + instead of :math:`2^{K - 1} - 1`. The initial sorting is a + :math:`\mathcal{O}(K \log(K))` operation, leading to a total complexity of + :math:`\mathcal{O}(K \log(K) + K)`, instead of :math:`\mathcal{O}(2^K)`. -|details-end| +.. rubric:: Examples -.. topic:: Examples: - - * :ref:`sphx_glr_auto_examples_ensemble_plot_gradient_boosting_categorical.py` +* :ref:`sphx_glr_auto_examples_ensemble_plot_gradient_boosting_categorical.py` .. _monotonic_cst_gbdt: @@ -378,10 +366,10 @@ Also, monotonic constraints are not supported for multiclass classification. Since categories are unordered quantities, it is not possible to enforce monotonic constraints on categorical features. -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_ensemble_plot_monotonic_constraints.py` - * :ref:`sphx_glr_auto_examples_ensemble_plot_hgbt_regression.py` +* :ref:`sphx_glr_auto_examples_ensemble_plot_monotonic_constraints.py` +* :ref:`sphx_glr_auto_examples_ensemble_plot_hgbt_regression.py` .. _interaction_cst_hgbt: @@ -414,16 +402,16 @@ Note that features not listed in ``interaction_cst`` are automatically assigned an interaction group for themselves. With again 3 features, this means that ``[{0}]`` is equivalent to ``[{0}, {1, 2}]``. -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_inspection_plot_partial_dependence.py` +* :ref:`sphx_glr_auto_examples_inspection_plot_partial_dependence.py` -.. topic:: References +.. rubric:: References - .. [Mayer2022] M. Mayer, S.C. Bourassa, M. Hoesli, and D.F. Scognamiglio. - 2022. :doi:`Machine Learning Applications to Land and Structure Valuation - <10.3390/jrfm15050193>`. - Journal of Risk and Financial Management 15, no. 5: 193 +.. [Mayer2022] M. Mayer, S.C. Bourassa, M. Hoesli, and D.F. Scognamiglio. + 2022. :doi:`Machine Learning Applications to Land and Structure Valuation + <10.3390/jrfm15050193>`. + Journal of Risk and Financial Management 15, no. 5: 193 Low-level parallelism ^^^^^^^^^^^^^^^^^^^^^ @@ -479,18 +467,18 @@ Finally, many parts of the implementation of :class:`HistGradientBoostingClassifier` and :class:`HistGradientBoostingRegressor` are parallelized. -.. topic:: References +.. rubric:: References - .. [XGBoost] Tianqi Chen, Carlos Guestrin, :arxiv:`"XGBoost: A Scalable Tree - Boosting System" <1603.02754>` +.. [XGBoost] Tianqi Chen, Carlos Guestrin, :arxiv:`"XGBoost: A Scalable Tree + Boosting System" <1603.02754>` - .. [LightGBM] Ke et. al. `"LightGBM: A Highly Efficient Gradient - BoostingDecision Tree" `_ +.. [LightGBM] Ke et. al. `"LightGBM: A Highly Efficient Gradient + BoostingDecision Tree" `_ - .. [Fisher1958] Fisher, W.D. (1958). `"On Grouping for Maximum Homogeneity" - `_ - Journal of the American Statistical Association, 53, 789-798. +.. [Fisher1958] Fisher, W.D. (1958). `"On Grouping for Maximum Homogeneity" + `_ + Journal of the American Statistical Association, 53, 789-798. @@ -501,96 +489,88 @@ The usage and the parameters of :class:`GradientBoostingClassifier` and :class:`GradientBoostingRegressor` are described below. The 2 most important parameters of these estimators are `n_estimators` and `learning_rate`. -|details-start| -**Classification** -|details-split| - -:class:`GradientBoostingClassifier` supports both binary and multi-class -classification. -The following example shows how to fit a gradient boosting classifier -with 100 decision stumps as weak learners:: - - >>> from sklearn.datasets import make_hastie_10_2 - >>> from sklearn.ensemble import GradientBoostingClassifier - - >>> X, y = make_hastie_10_2(random_state=0) - >>> X_train, X_test = X[:2000], X[2000:] - >>> y_train, y_test = y[:2000], y[2000:] - - >>> clf = GradientBoostingClassifier(n_estimators=100, learning_rate=1.0, - ... max_depth=1, random_state=0).fit(X_train, y_train) - >>> clf.score(X_test, y_test) - 0.913... - -The number of weak learners (i.e. regression trees) is controlled by the -parameter ``n_estimators``; :ref:`The size of each tree -` can be controlled either by setting the tree -depth via ``max_depth`` or by setting the number of leaf nodes via -``max_leaf_nodes``. The ``learning_rate`` is a hyper-parameter in the range -(0.0, 1.0] that controls overfitting via :ref:`shrinkage -` . - -.. note:: - - Classification with more than 2 classes requires the induction - of ``n_classes`` regression trees at each iteration, - thus, the total number of induced trees equals - ``n_classes * n_estimators``. For datasets with a large number - of classes we strongly recommend to use - :class:`HistGradientBoostingClassifier` as an alternative to - :class:`GradientBoostingClassifier` . - -|details-end| - -|details-start| -**Regression** -|details-split| - -:class:`GradientBoostingRegressor` supports a number of -:ref:`different loss functions ` -for regression which can be specified via the argument -``loss``; the default loss function for regression is squared error -(``'squared_error'``). - -:: - - >>> import numpy as np - >>> from sklearn.metrics import mean_squared_error - >>> from sklearn.datasets import make_friedman1 - >>> from sklearn.ensemble import GradientBoostingRegressor - - >>> X, y = make_friedman1(n_samples=1200, random_state=0, noise=1.0) - >>> X_train, X_test = X[:200], X[200:] - >>> y_train, y_test = y[:200], y[200:] - >>> est = GradientBoostingRegressor( - ... n_estimators=100, learning_rate=0.1, max_depth=1, random_state=0, - ... loss='squared_error' - ... ).fit(X_train, y_train) - >>> mean_squared_error(y_test, est.predict(X_test)) - 5.00... - -The figure below shows the results of applying :class:`GradientBoostingRegressor` -with least squares loss and 500 base learners to the diabetes dataset -(:func:`sklearn.datasets.load_diabetes`). -The plot shows the train and test error at each iteration. -The train error at each iteration is stored in the -`train_score_` attribute of the gradient boosting model. -The test error at each iterations can be obtained -via the :meth:`~GradientBoostingRegressor.staged_predict` method which returns a -generator that yields the predictions at each stage. Plots like these can be used -to determine the optimal number of trees (i.e. ``n_estimators``) by early stopping. - -.. figure:: ../auto_examples/ensemble/images/sphx_glr_plot_gradient_boosting_regression_001.png - :target: ../auto_examples/ensemble/plot_gradient_boosting_regression.html - :align: center - :scale: 75 - -|details-end| +.. dropdown:: Classification + + :class:`GradientBoostingClassifier` supports both binary and multi-class + classification. + The following example shows how to fit a gradient boosting classifier + with 100 decision stumps as weak learners:: + + >>> from sklearn.datasets import make_hastie_10_2 + >>> from sklearn.ensemble import GradientBoostingClassifier + + >>> X, y = make_hastie_10_2(random_state=0) + >>> X_train, X_test = X[:2000], X[2000:] + >>> y_train, y_test = y[:2000], y[2000:] + + >>> clf = GradientBoostingClassifier(n_estimators=100, learning_rate=1.0, + ... max_depth=1, random_state=0).fit(X_train, y_train) + >>> clf.score(X_test, y_test) + 0.913... + + The number of weak learners (i.e. regression trees) is controlled by the + parameter ``n_estimators``; :ref:`The size of each tree + ` can be controlled either by setting the tree + depth via ``max_depth`` or by setting the number of leaf nodes via + ``max_leaf_nodes``. The ``learning_rate`` is a hyper-parameter in the range + (0.0, 1.0] that controls overfitting via :ref:`shrinkage + ` . + + .. note:: + + Classification with more than 2 classes requires the induction + of ``n_classes`` regression trees at each iteration, + thus, the total number of induced trees equals + ``n_classes * n_estimators``. For datasets with a large number + of classes we strongly recommend to use + :class:`HistGradientBoostingClassifier` as an alternative to + :class:`GradientBoostingClassifier` . + +.. dropdown:: Regression + + :class:`GradientBoostingRegressor` supports a number of + :ref:`different loss functions ` + for regression which can be specified via the argument + ``loss``; the default loss function for regression is squared error + (``'squared_error'``). + + :: + + >>> import numpy as np + >>> from sklearn.metrics import mean_squared_error + >>> from sklearn.datasets import make_friedman1 + >>> from sklearn.ensemble import GradientBoostingRegressor + + >>> X, y = make_friedman1(n_samples=1200, random_state=0, noise=1.0) + >>> X_train, X_test = X[:200], X[200:] + >>> y_train, y_test = y[:200], y[200:] + >>> est = GradientBoostingRegressor( + ... n_estimators=100, learning_rate=0.1, max_depth=1, random_state=0, + ... loss='squared_error' + ... ).fit(X_train, y_train) + >>> mean_squared_error(y_test, est.predict(X_test)) + 5.00... + + The figure below shows the results of applying :class:`GradientBoostingRegressor` + with least squares loss and 500 base learners to the diabetes dataset + (:func:`sklearn.datasets.load_diabetes`). + The plot shows the train and test error at each iteration. + The train error at each iteration is stored in the + `train_score_` attribute of the gradient boosting model. + The test error at each iterations can be obtained + via the :meth:`~GradientBoostingRegressor.staged_predict` method which returns a + generator that yields the predictions at each stage. Plots like these can be used + to determine the optimal number of trees (i.e. ``n_estimators``) by early stopping. + + .. figure:: ../auto_examples/ensemble/images/sphx_glr_plot_gradient_boosting_regression_001.png + :target: ../auto_examples/ensemble/plot_gradient_boosting_regression.html + :align: center + :scale: 75 -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_ensemble_plot_gradient_boosting_regression.py` - * :ref:`sphx_glr_auto_examples_ensemble_plot_gradient_boosting_oob.py` +* :ref:`sphx_glr_auto_examples_ensemble_plot_gradient_boosting_regression.py` +* :ref:`sphx_glr_auto_examples_ensemble_plot_gradient_boosting_oob.py` .. _gradient_boosting_warm_start: @@ -603,7 +583,22 @@ fitted model. :: - >>> _ = est.set_params(n_estimators=200, warm_start=True) # set warm_start and new nr of trees + >>> import numpy as np + >>> from sklearn.metrics import mean_squared_error + >>> from sklearn.datasets import make_friedman1 + >>> from sklearn.ensemble import GradientBoostingRegressor + + >>> X, y = make_friedman1(n_samples=1200, random_state=0, noise=1.0) + >>> X_train, X_test = X[:200], X[200:] + >>> y_train, y_test = y[:200], y[200:] + >>> est = GradientBoostingRegressor( + ... n_estimators=100, learning_rate=0.1, max_depth=1, random_state=0, + ... loss='squared_error' + ... ) + >>> est = est.fit(X_train, y_train) # fit with 100 trees + >>> mean_squared_error(y_test, est.predict(X_test)) + 5.00... + >>> _ = est.set_params(n_estimators=200, warm_start=True) # set warm_start and increase num of trees >>> _ = est.fit(X_train, y_train) # fit additional 100 trees to est >>> mean_squared_error(y_test, est.predict(X_test)) 3.84... @@ -645,116 +640,108 @@ Mathematical formulation We first present GBRT for regression, and then detail the classification case. -|details-start| -**Regression** -|details-split| +.. dropdown:: Regression -GBRT regressors are additive models whose prediction :math:`\hat{y}_i` for a -given input :math:`x_i` is of the following form: + GBRT regressors are additive models whose prediction :math:`\hat{y}_i` for a + given input :math:`x_i` is of the following form: -.. math:: - - \hat{y}_i = F_M(x_i) = \sum_{m=1}^{M} h_m(x_i) + .. math:: -where the :math:`h_m` are estimators called *weak learners* in the context -of boosting. Gradient Tree Boosting uses :ref:`decision tree regressors -` of fixed size as weak learners. The constant M corresponds to the -`n_estimators` parameter. + \hat{y}_i = F_M(x_i) = \sum_{m=1}^{M} h_m(x_i) -Similar to other boosting algorithms, a GBRT is built in a greedy fashion: + where the :math:`h_m` are estimators called *weak learners* in the context + of boosting. Gradient Tree Boosting uses :ref:`decision tree regressors + ` of fixed size as weak learners. The constant M corresponds to the + `n_estimators` parameter. -.. math:: + Similar to other boosting algorithms, a GBRT is built in a greedy fashion: - F_m(x) = F_{m-1}(x) + h_m(x), - -where the newly added tree :math:`h_m` is fitted in order to minimize a sum -of losses :math:`L_m`, given the previous ensemble :math:`F_{m-1}`: + .. math:: -.. math:: + F_m(x) = F_{m-1}(x) + h_m(x), - h_m = \arg\min_{h} L_m = \arg\min_{h} \sum_{i=1}^{n} - l(y_i, F_{m-1}(x_i) + h(x_i)), + where the newly added tree :math:`h_m` is fitted in order to minimize a sum + of losses :math:`L_m`, given the previous ensemble :math:`F_{m-1}`: -where :math:`l(y_i, F(x_i))` is defined by the `loss` parameter, detailed -in the next section. + .. math:: -By default, the initial model :math:`F_{0}` is chosen as the constant that -minimizes the loss: for a least-squares loss, this is the empirical mean of -the target values. The initial model can also be specified via the ``init`` -argument. + h_m = \arg\min_{h} L_m = \arg\min_{h} \sum_{i=1}^{n} + l(y_i, F_{m-1}(x_i) + h(x_i)), -Using a first-order Taylor approximation, the value of :math:`l` can be -approximated as follows: + where :math:`l(y_i, F(x_i))` is defined by the `loss` parameter, detailed + in the next section. -.. math:: + By default, the initial model :math:`F_{0}` is chosen as the constant that + minimizes the loss: for a least-squares loss, this is the empirical mean of + the target values. The initial model can also be specified via the ``init`` + argument. - l(y_i, F_{m-1}(x_i) + h_m(x_i)) \approx - l(y_i, F_{m-1}(x_i)) - + h_m(x_i) - \left[ \frac{\partial l(y_i, F(x_i))}{\partial F(x_i)} \right]_{F=F_{m - 1}}. + Using a first-order Taylor approximation, the value of :math:`l` can be + approximated as follows: -.. note:: + .. math:: - Briefly, a first-order Taylor approximation says that - :math:`l(z) \approx l(a) + (z - a) \frac{\partial l}{\partial z}(a)`. - Here, :math:`z` corresponds to :math:`F_{m - 1}(x_i) + h_m(x_i)`, and - :math:`a` corresponds to :math:`F_{m-1}(x_i)` + l(y_i, F_{m-1}(x_i) + h_m(x_i)) \approx + l(y_i, F_{m-1}(x_i)) + + h_m(x_i) + \left[ \frac{\partial l(y_i, F(x_i))}{\partial F(x_i)} \right]_{F=F_{m - 1}}. -The quantity :math:`\left[ \frac{\partial l(y_i, F(x_i))}{\partial F(x_i)} -\right]_{F=F_{m - 1}}` is the derivative of the loss with respect to its -second parameter, evaluated at :math:`F_{m-1}(x)`. It is easy to compute for -any given :math:`F_{m - 1}(x_i)` in a closed form since the loss is -differentiable. We will denote it by :math:`g_i`. + .. note:: -Removing the constant terms, we have: + Briefly, a first-order Taylor approximation says that + :math:`l(z) \approx l(a) + (z - a) \frac{\partial l}{\partial z}(a)`. + Here, :math:`z` corresponds to :math:`F_{m - 1}(x_i) + h_m(x_i)`, and + :math:`a` corresponds to :math:`F_{m-1}(x_i)` -.. math:: + The quantity :math:`\left[ \frac{\partial l(y_i, F(x_i))}{\partial F(x_i)} + \right]_{F=F_{m - 1}}` is the derivative of the loss with respect to its + second parameter, evaluated at :math:`F_{m-1}(x)`. It is easy to compute for + any given :math:`F_{m - 1}(x_i)` in a closed form since the loss is + differentiable. We will denote it by :math:`g_i`. - h_m \approx \arg\min_{h} \sum_{i=1}^{n} h(x_i) g_i + Removing the constant terms, we have: -This is minimized if :math:`h(x_i)` is fitted to predict a value that is -proportional to the negative gradient :math:`-g_i`. Therefore, at each -iteration, **the estimator** :math:`h_m` **is fitted to predict the negative -gradients of the samples**. The gradients are updated at each iteration. -This can be considered as some kind of gradient descent in a functional -space. + .. math:: -.. note:: + h_m \approx \arg\min_{h} \sum_{i=1}^{n} h(x_i) g_i - For some losses, e.g. ``'absolute_error'`` where the gradients - are :math:`\pm 1`, the values predicted by a fitted :math:`h_m` are not - accurate enough: the tree can only output integer values. As a result, the - leaves values of the tree :math:`h_m` are modified once the tree is - fitted, such that the leaves values minimize the loss :math:`L_m`. The - update is loss-dependent: for the absolute error loss, the value of - a leaf is updated to the median of the samples in that leaf. + This is minimized if :math:`h(x_i)` is fitted to predict a value that is + proportional to the negative gradient :math:`-g_i`. Therefore, at each + iteration, **the estimator** :math:`h_m` **is fitted to predict the negative + gradients of the samples**. The gradients are updated at each iteration. + This can be considered as some kind of gradient descent in a functional + space. -|details-end| + .. note:: -|details-start| -**Classification** -|details-split| + For some losses, e.g. ``'absolute_error'`` where the gradients + are :math:`\pm 1`, the values predicted by a fitted :math:`h_m` are not + accurate enough: the tree can only output integer values. As a result, the + leaves values of the tree :math:`h_m` are modified once the tree is + fitted, such that the leaves values minimize the loss :math:`L_m`. The + update is loss-dependent: for the absolute error loss, the value of + a leaf is updated to the median of the samples in that leaf. -Gradient boosting for classification is very similar to the regression case. -However, the sum of the trees :math:`F_M(x_i) = \sum_m h_m(x_i)` is not -homogeneous to a prediction: it cannot be a class, since the trees predict -continuous values. +.. dropdown:: Classification -The mapping from the value :math:`F_M(x_i)` to a class or a probability is -loss-dependent. For the log-loss, the probability that -:math:`x_i` belongs to the positive class is modeled as :math:`p(y_i = 1 | -x_i) = \sigma(F_M(x_i))` where :math:`\sigma` is the sigmoid or expit function. + Gradient boosting for classification is very similar to the regression case. + However, the sum of the trees :math:`F_M(x_i) = \sum_m h_m(x_i)` is not + homogeneous to a prediction: it cannot be a class, since the trees predict + continuous values. -For multiclass classification, K trees (for K classes) are built at each of -the :math:`M` iterations. The probability that :math:`x_i` belongs to class -k is modeled as a softmax of the :math:`F_{M,k}(x_i)` values. + The mapping from the value :math:`F_M(x_i)` to a class or a probability is + loss-dependent. For the log-loss, the probability that + :math:`x_i` belongs to the positive class is modeled as :math:`p(y_i = 1 | + x_i) = \sigma(F_M(x_i))` where :math:`\sigma` is the sigmoid or expit function. -Note that even for a classification task, the :math:`h_m` sub-estimator is -still a regressor, not a classifier. This is because the sub-estimators are -trained to predict (negative) *gradients*, which are always continuous -quantities. + For multiclass classification, K trees (for K classes) are built at each of + the :math:`M` iterations. The probability that :math:`x_i` belongs to class + k is modeled as a softmax of the :math:`F_{M,k}(x_i)` values. -|details-end| + Note that even for a classification task, the :math:`h_m` sub-estimator is + still a regressor, not a classifier. This is because the sub-estimators are + trained to predict (negative) *gradients*, which are always continuous + quantities. .. _gradient_boosting_loss: @@ -764,9 +751,7 @@ Loss Functions The following loss functions are supported and can be specified using the parameter ``loss``: -|details-start| -**Regression** -|details-split| +.. dropdown:: Regression * Squared error (``'squared_error'``): The natural choice for regression due to its superior computational properties. The initial model is @@ -783,12 +768,7 @@ the parameter ``loss``: can be used to create prediction intervals (see :ref:`sphx_glr_auto_examples_ensemble_plot_gradient_boosting_quantile.py`). -|details-end| - - -|details-start| -**Classification** -|details-split| +.. dropdown:: Classification * Binary log-loss (``'log-loss'``): The binomial negative log-likelihood loss function for binary classification. It provides @@ -806,8 +786,6 @@ the parameter ``loss``: examples than ``'log-loss'``; can only be used for binary classification. -|details-end| - .. _gradient_boosting_shrinkage: Shrinkage via learning rate @@ -874,11 +852,11 @@ the optimal number of iterations. OOB estimates are usually very pessimistic thu we recommend to use cross-validation instead and only use OOB if cross-validation is too time consuming. -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_ensemble_plot_gradient_boosting_regularization.py` - * :ref:`sphx_glr_auto_examples_ensemble_plot_gradient_boosting_oob.py` - * :ref:`sphx_glr_auto_examples_ensemble_plot_ensemble_oob.py` +* :ref:`sphx_glr_auto_examples_ensemble_plot_gradient_boosting_regularization.py` +* :ref:`sphx_glr_auto_examples_ensemble_plot_gradient_boosting_oob.py` +* :ref:`sphx_glr_auto_examples_ensemble_plot_ensemble_oob.py` Interpretation with feature importance ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ @@ -921,22 +899,22 @@ Note that this computation of feature importance is based on entropy, and it is distinct from :func:`sklearn.inspection.permutation_importance` which is based on permutation of the features. -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_ensemble_plot_gradient_boosting_regression.py` +* :ref:`sphx_glr_auto_examples_ensemble_plot_gradient_boosting_regression.py` -.. topic:: References +.. rubric:: References - .. [Friedman2001] Friedman, J.H. (2001). :doi:`Greedy function approximation: A gradient - boosting machine <10.1214/aos/1013203451>`. - Annals of Statistics, 29, 1189-1232. +.. [Friedman2001] Friedman, J.H. (2001). :doi:`Greedy function approximation: A gradient + boosting machine <10.1214/aos/1013203451>`. + Annals of Statistics, 29, 1189-1232. - .. [Friedman2002] Friedman, J.H. (2002). `Stochastic gradient boosting. - `_. - Computational Statistics & Data Analysis, 38, 367-378. +.. [Friedman2002] Friedman, J.H. (2002). `Stochastic gradient boosting. + `_. + Computational Statistics & Data Analysis, 38, 367-378. - .. [R2007] G. Ridgeway (2006). `Generalized Boosted Models: A guide to the gbm - package `_ +.. [R2007] G. Ridgeway (2006). `Generalized Boosted Models: A guide to the gbm + package `_ .. _forest: @@ -1020,9 +998,9 @@ characteristics of the dataset and the modeling task. It's a good idea to try both models and compare their performance and computational efficiency on your specific problem to determine which model is the best fit. -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_ensemble_plot_forest_hist_grad_boosting_comparison.py` +* :ref:`sphx_glr_auto_examples_ensemble_plot_forest_hist_grad_boosting_comparison.py` Extremely Randomized Trees -------------------------- @@ -1119,20 +1097,20 @@ fast). Significant speedup can still be achieved though when building a large number of trees, or when building a single tree requires a fair amount of time (e.g., on large datasets). -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_ensemble_plot_forest_iris.py` - * :ref:`sphx_glr_auto_examples_ensemble_plot_forest_importances_faces.py` - * :ref:`sphx_glr_auto_examples_miscellaneous_plot_multioutput_face_completion.py` +* :ref:`sphx_glr_auto_examples_ensemble_plot_forest_iris.py` +* :ref:`sphx_glr_auto_examples_ensemble_plot_forest_importances_faces.py` +* :ref:`sphx_glr_auto_examples_miscellaneous_plot_multioutput_face_completion.py` -.. topic:: References +.. rubric:: References - .. [B2001] L. Breiman, "Random Forests", Machine Learning, 45(1), 5-32, 2001. +.. [B2001] L. Breiman, "Random Forests", Machine Learning, 45(1), 5-32, 2001. - .. [B1998] L. Breiman, "Arcing Classifiers", Annals of Statistics 1998. +.. [B1998] L. Breiman, "Arcing Classifiers", Annals of Statistics 1998. - * P. Geurts, D. Ernst., and L. Wehenkel, "Extremely randomized - trees", Machine Learning, 63(1), 3-42, 2006. +* P. Geurts, D. Ernst., and L. Wehenkel, "Extremely randomized + trees", Machine Learning, 63(1), 3-42, 2006. .. _random_forest_feature_importance: @@ -1184,16 +1162,16 @@ In practice those estimates are stored as an attribute named the value, the more important is the contribution of the matching feature to the prediction function. -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_ensemble_plot_forest_importances_faces.py` - * :ref:`sphx_glr_auto_examples_ensemble_plot_forest_importances.py` +* :ref:`sphx_glr_auto_examples_ensemble_plot_forest_importances_faces.py` +* :ref:`sphx_glr_auto_examples_ensemble_plot_forest_importances.py` -.. topic:: References +.. rubric:: References - .. [L2014] G. Louppe, :arxiv:`"Understanding Random Forests: From Theory to - Practice" <1407.7502>`, - PhD Thesis, U. of Liege, 2014. +.. [L2014] G. Louppe, :arxiv:`"Understanding Random Forests: From Theory to + Practice" <1407.7502>`, + PhD Thesis, U. of Liege, 2014. .. _random_trees_embedding: @@ -1216,15 +1194,15 @@ As neighboring data points are more likely to lie within the same leaf of a tree, the transformation performs an implicit, non-parametric density estimation. -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_ensemble_plot_random_forest_embedding.py` +* :ref:`sphx_glr_auto_examples_ensemble_plot_random_forest_embedding.py` - * :ref:`sphx_glr_auto_examples_manifold_plot_lle_digits.py` compares non-linear - dimensionality reduction techniques on handwritten digits. +* :ref:`sphx_glr_auto_examples_manifold_plot_lle_digits.py` compares non-linear + dimensionality reduction techniques on handwritten digits. - * :ref:`sphx_glr_auto_examples_ensemble_plot_feature_transformation.py` compares - supervised and unsupervised tree based feature transformations. +* :ref:`sphx_glr_auto_examples_ensemble_plot_feature_transformation.py` compares + supervised and unsupervised tree based feature transformations. .. seealso:: @@ -1232,6 +1210,43 @@ estimation. representations of feature space, also these approaches focus also on dimensionality reduction. +.. _tree_ensemble_warm_start: + +Fitting additional trees +------------------------ + +RandomForest, Extra-Trees and :class:`RandomTreesEmbedding` estimators all support +``warm_start=True`` which allows you to add more trees to an already fitted model. + +:: + + >>> from sklearn.datasets import make_classification + >>> from sklearn.ensemble import RandomForestClassifier + + >>> X, y = make_classification(n_samples=100, random_state=1) + >>> clf = RandomForestClassifier(n_estimators=10) + >>> clf = clf.fit(X, y) # fit with 10 trees + >>> len(clf.estimators_) + 10 + >>> # set warm_start and increase num of estimators + >>> _ = clf.set_params(n_estimators=20, warm_start=True) + >>> _ = clf.fit(X, y) # fit additional 10 trees + >>> len(clf.estimators_) + 20 + +When ``random_state`` is also set, the internal random state is also preserved +between ``fit`` calls. This means that training a model once with ``n`` estimators is +the same as building the model iteratively via multiple ``fit`` calls, where the +final number of estimators is equal to ``n``. + +:: + + >>> clf = RandomForestClassifier(n_estimators=20) # set `n_estimators` to 10 + 10 + >>> _ = clf.fit(X, y) # fit `estimators_` will be the same as `clf` above + +Note that this differs from the usual behavior of :term:`random_state` in that it does +*not* result in the same result across different calls. + .. _bagging: Bagging meta-estimator @@ -1283,24 +1298,23 @@ subsets of 50% of the samples and 50% of the features. >>> bagging = BaggingClassifier(KNeighborsClassifier(), ... max_samples=0.5, max_features=0.5) -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_ensemble_plot_bias_variance.py` +* :ref:`sphx_glr_auto_examples_ensemble_plot_bias_variance.py` -.. topic:: References +.. rubric:: References - .. [B1999] L. Breiman, "Pasting small votes for classification in large - databases and on-line", Machine Learning, 36(1), 85-103, 1999. +.. [B1999] L. Breiman, "Pasting small votes for classification in large + databases and on-line", Machine Learning, 36(1), 85-103, 1999. - .. [B1996] L. Breiman, "Bagging predictors", Machine Learning, 24(2), - 123-140, 1996. +.. [B1996] L. Breiman, "Bagging predictors", Machine Learning, 24(2), + 123-140, 1996. - .. [H1998] T. Ho, "The random subspace method for constructing decision - forests", Pattern Analysis and Machine Intelligence, 20(8), 832-844, - 1998. +.. [H1998] T. Ho, "The random subspace method for constructing decision + forests", Pattern Analysis and Machine Intelligence, 20(8), 832-844, 1998. - .. [LG2012] G. Louppe and P. Geurts, "Ensembles on Random Patches", - Machine Learning and Knowledge Discovery in Databases, 346-361, 2012. +.. [LG2012] G. Louppe and P. Geurts, "Ensembles on Random Patches", + Machine Learning and Knowledge Discovery in Databases, 346-361, 2012. @@ -1455,29 +1469,25 @@ Optionally, weights can be provided for the individual classifiers:: ... voting='soft', weights=[2,5,1] ... ) -|details-start| -**Using the `VotingClassifier` with `GridSearchCV`** -|details-split| +.. dropdown:: Using the :class:`VotingClassifier` with :class:`~sklearn.model_selection.GridSearchCV` -The :class:`VotingClassifier` can also be used together with -:class:`~sklearn.model_selection.GridSearchCV` in order to tune the -hyperparameters of the individual estimators:: + The :class:`VotingClassifier` can also be used together with + :class:`~sklearn.model_selection.GridSearchCV` in order to tune the + hyperparameters of the individual estimators:: - >>> from sklearn.model_selection import GridSearchCV - >>> clf1 = LogisticRegression(random_state=1) - >>> clf2 = RandomForestClassifier(random_state=1) - >>> clf3 = GaussianNB() - >>> eclf = VotingClassifier( - ... estimators=[('lr', clf1), ('rf', clf2), ('gnb', clf3)], - ... voting='soft' - ... ) - - >>> params = {'lr__C': [1.0, 100.0], 'rf__n_estimators': [20, 200]} + >>> from sklearn.model_selection import GridSearchCV + >>> clf1 = LogisticRegression(random_state=1) + >>> clf2 = RandomForestClassifier(random_state=1) + >>> clf3 = GaussianNB() + >>> eclf = VotingClassifier( + ... estimators=[('lr', clf1), ('rf', clf2), ('gnb', clf3)], + ... voting='soft' + ... ) - >>> grid = GridSearchCV(estimator=eclf, param_grid=params, cv=5) - >>> grid = grid.fit(iris.data, iris.target) + >>> params = {'lr__C': [1.0, 100.0], 'rf__n_estimators': [20, 200]} -|details-end| + >>> grid = GridSearchCV(estimator=eclf, param_grid=params, cv=5) + >>> grid = grid.fit(iris.data, iris.target) .. _voting_regressor: @@ -1515,9 +1525,9 @@ The following example shows how to fit the VotingRegressor:: :align: center :scale: 75% -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_ensemble_plot_voting_regressor.py` +* :ref:`sphx_glr_auto_examples_ensemble_plot_voting_regressor.py` .. _stacking: @@ -1581,8 +1591,8 @@ availability, tested in the order of preference: `predict_proba`, `decision_function` and `predict`. A :class:`StackingRegressor` and :class:`StackingClassifier` can be used as -any other regressor or classifier, exposing a `predict`, `predict_proba`, and -`decision_function` methods, e.g.:: +any other regressor or classifier, exposing a `predict`, `predict_proba`, or +`decision_function` method, e.g.:: >>> y_pred = reg.predict(X_test) >>> from sklearn.metrics import r2_score @@ -1636,10 +1646,10 @@ computationally expensive. ... .format(multi_layer_regressor.score(X_test, y_test))) R2 score: 0.53 -.. topic:: References +.. rubric:: References - .. [W1992] Wolpert, David H. "Stacked generalization." Neural networks 5.2 - (1992): 241-259. +.. [W1992] Wolpert, David H. "Stacked generalization." Neural networks 5.2 + (1992): 241-259. @@ -1705,27 +1715,26 @@ The main parameters to tune to obtain good results are ``n_estimators`` and the complexity of the base estimators (e.g., its depth ``max_depth`` or minimum required number of samples to consider a split ``min_samples_split``). -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_ensemble_plot_adaboost_multiclass.py` shows the performance - of AdaBoost on a multi-class problem. +* :ref:`sphx_glr_auto_examples_ensemble_plot_adaboost_multiclass.py` shows the performance + of AdaBoost on a multi-class problem. - * :ref:`sphx_glr_auto_examples_ensemble_plot_adaboost_twoclass.py` shows the decision boundary - and decision function values for a non-linearly separable two-class problem - using AdaBoost-SAMME. +* :ref:`sphx_glr_auto_examples_ensemble_plot_adaboost_twoclass.py` shows the decision boundary + and decision function values for a non-linearly separable two-class problem + using AdaBoost-SAMME. - * :ref:`sphx_glr_auto_examples_ensemble_plot_adaboost_regression.py` demonstrates regression - with the AdaBoost.R2 algorithm. +* :ref:`sphx_glr_auto_examples_ensemble_plot_adaboost_regression.py` demonstrates regression + with the AdaBoost.R2 algorithm. -.. topic:: References +.. rubric:: References - .. [FS1995] Y. Freund, and R. Schapire, "A Decision-Theoretic Generalization of - On-Line Learning and an Application to Boosting", 1997. +.. [FS1995] Y. Freund, and R. Schapire, "A Decision-Theoretic Generalization of + On-Line Learning and an Application to Boosting", 1997. - .. [ZZRH2009] J. Zhu, H. Zou, S. Rosset, T. Hastie. "Multi-class AdaBoost", - 2009. +.. [ZZRH2009] J. Zhu, H. Zou, S. Rosset, T. Hastie. "Multi-class AdaBoost", 2009. - .. [D1997] H. Drucker. "Improving Regressors using Boosting Techniques", 1997. +.. [D1997] H. Drucker. "Improving Regressors using Boosting Techniques", 1997. - .. [HTF] T. Hastie, R. Tibshirani and J. Friedman, "Elements of - Statistical Learning Ed. 2", Springer, 2009. +.. [HTF] T. Hastie, R. Tibshirani and J. Friedman, "Elements of Statistical Learning + Ed. 2", Springer, 2009. diff --git a/doc/modules/feature_extraction.rst b/doc/modules/feature_extraction.rst index 7ac538a89849b..2181014644e15 100644 --- a/doc/modules/feature_extraction.rst +++ b/doc/modules/feature_extraction.rst @@ -206,35 +206,32 @@ Note the use of a generator comprehension, which introduces laziness into the feature extraction: tokens are only processed on demand from the hasher. -|details-start| -**Implementation details** -|details-split| +.. dropdown:: Implementation details -:class:`FeatureHasher` uses the signed 32-bit variant of MurmurHash3. -As a result (and because of limitations in ``scipy.sparse``), -the maximum number of features supported is currently :math:`2^{31} - 1`. + :class:`FeatureHasher` uses the signed 32-bit variant of MurmurHash3. + As a result (and because of limitations in ``scipy.sparse``), + the maximum number of features supported is currently :math:`2^{31} - 1`. -The original formulation of the hashing trick by Weinberger et al. -used two separate hash functions :math:`h` and :math:`\xi` -to determine the column index and sign of a feature, respectively. -The present implementation works under the assumption -that the sign bit of MurmurHash3 is independent of its other bits. + The original formulation of the hashing trick by Weinberger et al. + used two separate hash functions :math:`h` and :math:`\xi` + to determine the column index and sign of a feature, respectively. + The present implementation works under the assumption + that the sign bit of MurmurHash3 is independent of its other bits. -Since a simple modulo is used to transform the hash function to a column index, -it is advisable to use a power of two as the ``n_features`` parameter; -otherwise the features will not be mapped evenly to the columns. + Since a simple modulo is used to transform the hash function to a column index, + it is advisable to use a power of two as the ``n_features`` parameter; + otherwise the features will not be mapped evenly to the columns. -.. topic:: References: + .. rubric:: References * `MurmurHash3 `_. -|details-end| -.. topic:: References: +.. rubric:: References - * Kilian Weinberger, Anirban Dasgupta, John Langford, Alex Smola and - Josh Attenberg (2009). `Feature hashing for large scale multitask learning - `_. Proc. ICML. +* Kilian Weinberger, Anirban Dasgupta, John Langford, Alex Smola and + Josh Attenberg (2009). `Feature hashing for large scale multitask learning + `_. Proc. ICML. .. _text_feature_extraction: @@ -310,7 +307,7 @@ counting in a single class:: This model has many parameters, however the default values are quite reasonable (please see the :ref:`reference documentation -` for the details):: +` for the details):: >>> vectorizer = CountVectorizer() >>> vectorizer @@ -422,12 +419,12 @@ tokenizer, so if *we've* is in ``stop_words``, but *ve* is not, *ve* will be retained from *we've* in transformed text. Our vectorizers will try to identify and warn about some kinds of inconsistencies. -.. topic:: References +.. rubric:: References - .. [NQY18] J. Nothman, H. Qin and R. Yurchak (2018). - `"Stop Word Lists in Free Open-source Software Packages" - `__. - In *Proc. Workshop for NLP Open Source Software*. +.. [NQY18] J. Nothman, H. Qin and R. Yurchak (2018). + `"Stop Word Lists in Free Open-source Software Packages" + `__. + In *Proc. Workshop for NLP Open Source Software*. .. _tfidf: @@ -492,132 +489,126 @@ class:: TfidfTransformer(smooth_idf=False) Again please see the :ref:`reference documentation -` for the details on all the parameters. - -|details-start| -**Numeric example of a tf-idf matrix** -|details-split| - -Let's take an example with the following counts. The first term is present -100% of the time hence not very interesting. The two other features only -in less than 50% of the time hence probably more representative of the -content of the documents:: - - >>> counts = [[3, 0, 1], - ... [2, 0, 0], - ... [3, 0, 0], - ... [4, 0, 0], - ... [3, 2, 0], - ... [3, 0, 2]] - ... - >>> tfidf = transformer.fit_transform(counts) - >>> tfidf - <6x3 sparse matrix of type '<... 'numpy.float64'>' - with 9 stored elements in Compressed Sparse ... format> +` for the details on all the parameters. - >>> tfidf.toarray() - array([[0.81940995, 0. , 0.57320793], - [1. , 0. , 0. ], - [1. , 0. , 0. ], - [1. , 0. , 0. ], - [0.47330339, 0.88089948, 0. ], - [0.58149261, 0. , 0.81355169]]) +.. dropdown:: Numeric example of a tf-idf matrix -Each row is normalized to have unit Euclidean norm: + Let's take an example with the following counts. The first term is present + 100% of the time hence not very interesting. The two other features only + in less than 50% of the time hence probably more representative of the + content of the documents:: -:math:`v_{norm} = \frac{v}{||v||_2} = \frac{v}{\sqrt{v{_1}^2 + -v{_2}^2 + \dots + v{_n}^2}}` + >>> counts = [[3, 0, 1], + ... [2, 0, 0], + ... [3, 0, 0], + ... [4, 0, 0], + ... [3, 2, 0], + ... [3, 0, 2]] + ... + >>> tfidf = transformer.fit_transform(counts) + >>> tfidf + <6x3 sparse matrix of type '<... 'numpy.float64'>' + with 9 stored elements in Compressed Sparse ... format> -For example, we can compute the tf-idf of the first term in the first -document in the `counts` array as follows: + >>> tfidf.toarray() + array([[0.81940995, 0. , 0.57320793], + [1. , 0. , 0. ], + [1. , 0. , 0. ], + [1. , 0. , 0. ], + [0.47330339, 0.88089948, 0. ], + [0.58149261, 0. , 0.81355169]]) -:math:`n = 6` + Each row is normalized to have unit Euclidean norm: -:math:`\text{df}(t)_{\text{term1}} = 6` + :math:`v_{norm} = \frac{v}{||v||_2} = \frac{v}{\sqrt{v{_1}^2 + + v{_2}^2 + \dots + v{_n}^2}}` -:math:`\text{idf}(t)_{\text{term1}} = -\log \frac{n}{\text{df}(t)} + 1 = \log(1)+1 = 1` + For example, we can compute the tf-idf of the first term in the first + document in the `counts` array as follows: -:math:`\text{tf-idf}_{\text{term1}} = \text{tf} \times \text{idf} = 3 \times 1 = 3` + :math:`n = 6` -Now, if we repeat this computation for the remaining 2 terms in the document, -we get + :math:`\text{df}(t)_{\text{term1}} = 6` -:math:`\text{tf-idf}_{\text{term2}} = 0 \times (\log(6/1)+1) = 0` + :math:`\text{idf}(t)_{\text{term1}} = + \log \frac{n}{\text{df}(t)} + 1 = \log(1)+1 = 1` -:math:`\text{tf-idf}_{\text{term3}} = 1 \times (\log(6/2)+1) \approx 2.0986` + :math:`\text{tf-idf}_{\text{term1}} = \text{tf} \times \text{idf} = 3 \times 1 = 3` -and the vector of raw tf-idfs: + Now, if we repeat this computation for the remaining 2 terms in the document, + we get -:math:`\text{tf-idf}_{\text{raw}} = [3, 0, 2.0986].` + :math:`\text{tf-idf}_{\text{term2}} = 0 \times (\log(6/1)+1) = 0` + :math:`\text{tf-idf}_{\text{term3}} = 1 \times (\log(6/2)+1) \approx 2.0986` -Then, applying the Euclidean (L2) norm, we obtain the following tf-idfs -for document 1: + and the vector of raw tf-idfs: -:math:`\frac{[3, 0, 2.0986]}{\sqrt{\big(3^2 + 0^2 + 2.0986^2\big)}} -= [ 0.819, 0, 0.573].` + :math:`\text{tf-idf}_{\text{raw}} = [3, 0, 2.0986].` -Furthermore, the default parameter ``smooth_idf=True`` adds "1" to the numerator -and denominator as if an extra document was seen containing every term in the -collection exactly once, which prevents zero divisions: -:math:`\text{idf}(t) = \log{\frac{1 + n}{1+\text{df}(t)}} + 1` + Then, applying the Euclidean (L2) norm, we obtain the following tf-idfs + for document 1: -Using this modification, the tf-idf of the third term in document 1 changes to -1.8473: + :math:`\frac{[3, 0, 2.0986]}{\sqrt{\big(3^2 + 0^2 + 2.0986^2\big)}} + = [ 0.819, 0, 0.573].` -:math:`\text{tf-idf}_{\text{term3}} = 1 \times \log(7/3)+1 \approx 1.8473` + Furthermore, the default parameter ``smooth_idf=True`` adds "1" to the numerator + and denominator as if an extra document was seen containing every term in the + collection exactly once, which prevents zero divisions: -And the L2-normalized tf-idf changes to + :math:`\text{idf}(t) = \log{\frac{1 + n}{1+\text{df}(t)}} + 1` -:math:`\frac{[3, 0, 1.8473]}{\sqrt{\big(3^2 + 0^2 + 1.8473^2\big)}} -= [0.8515, 0, 0.5243]`:: + Using this modification, the tf-idf of the third term in document 1 changes to + 1.8473: - >>> transformer = TfidfTransformer() - >>> transformer.fit_transform(counts).toarray() - array([[0.85151335, 0. , 0.52433293], - [1. , 0. , 0. ], - [1. , 0. , 0. ], - [1. , 0. , 0. ], - [0.55422893, 0.83236428, 0. ], - [0.63035731, 0. , 0.77630514]]) + :math:`\text{tf-idf}_{\text{term3}} = 1 \times \log(7/3)+1 \approx 1.8473` -The weights of each -feature computed by the ``fit`` method call are stored in a model -attribute:: + And the L2-normalized tf-idf changes to - >>> transformer.idf_ - array([1. ..., 2.25..., 1.84...]) + :math:`\frac{[3, 0, 1.8473]}{\sqrt{\big(3^2 + 0^2 + 1.8473^2\big)}} + = [0.8515, 0, 0.5243]`:: + >>> transformer = TfidfTransformer() + >>> transformer.fit_transform(counts).toarray() + array([[0.85151335, 0. , 0.52433293], + [1. , 0. , 0. ], + [1. , 0. , 0. ], + [1. , 0. , 0. ], + [0.55422893, 0.83236428, 0. ], + [0.63035731, 0. , 0.77630514]]) + The weights of each + feature computed by the ``fit`` method call are stored in a model + attribute:: + >>> transformer.idf_ + array([1. ..., 2.25..., 1.84...]) -As tf–idf is very often used for text features, there is also another -class called :class:`TfidfVectorizer` that combines all the options of -:class:`CountVectorizer` and :class:`TfidfTransformer` in a single model:: + As tf-idf is very often used for text features, there is also another + class called :class:`TfidfVectorizer` that combines all the options of + :class:`CountVectorizer` and :class:`TfidfTransformer` in a single model:: - >>> from sklearn.feature_extraction.text import TfidfVectorizer - >>> vectorizer = TfidfVectorizer() - >>> vectorizer.fit_transform(corpus) - <4x9 sparse matrix of type '<... 'numpy.float64'>' - with 19 stored elements in Compressed Sparse ... format> + >>> from sklearn.feature_extraction.text import TfidfVectorizer + >>> vectorizer = TfidfVectorizer() + >>> vectorizer.fit_transform(corpus) + <4x9 sparse matrix of type '<... 'numpy.float64'>' + with 19 stored elements in Compressed Sparse ... format> -While the tf–idf normalization is often very useful, there might -be cases where the binary occurrence markers might offer better -features. This can be achieved by using the ``binary`` parameter -of :class:`CountVectorizer`. In particular, some estimators such as -:ref:`bernoulli_naive_bayes` explicitly model discrete boolean random -variables. Also, very short texts are likely to have noisy tf–idf values -while the binary occurrence info is more stable. + While the tf-idf normalization is often very useful, there might + be cases where the binary occurrence markers might offer better + features. This can be achieved by using the ``binary`` parameter + of :class:`CountVectorizer`. In particular, some estimators such as + :ref:`bernoulli_naive_bayes` explicitly model discrete boolean random + variables. Also, very short texts are likely to have noisy tf-idf values + while the binary occurrence info is more stable. -As usual the best way to adjust the feature extraction parameters -is to use a cross-validated grid search, for instance by pipelining the -feature extractor with a classifier: + As usual the best way to adjust the feature extraction parameters + is to use a cross-validated grid search, for instance by pipelining the + feature extractor with a classifier: -* :ref:`sphx_glr_auto_examples_model_selection_plot_grid_search_text_feature_extraction.py` + * :ref:`sphx_glr_auto_examples_model_selection_plot_grid_search_text_feature_extraction.py` -|details-end| Decoding text files ------------------- @@ -646,64 +637,60 @@ or ``"replace"``. See the documentation for the Python function ``bytes.decode`` for more details (type ``help(bytes.decode)`` at the Python prompt). -|details-start| -**Troubleshooting decoding text** -|details-split| - -If you are having trouble decoding text, here are some things to try: - -- Find out what the actual encoding of the text is. The file might come - with a header or README that tells you the encoding, or there might be some - standard encoding you can assume based on where the text comes from. - -- You may be able to find out what kind of encoding it is in general - using the UNIX command ``file``. The Python ``chardet`` module comes with - a script called ``chardetect.py`` that will guess the specific encoding, - though you cannot rely on its guess being correct. - -- You could try UTF-8 and disregard the errors. You can decode byte - strings with ``bytes.decode(errors='replace')`` to replace all - decoding errors with a meaningless character, or set - ``decode_error='replace'`` in the vectorizer. This may damage the - usefulness of your features. - -- Real text may come from a variety of sources that may have used different - encodings, or even be sloppily decoded in a different encoding than the - one it was encoded with. This is common in text retrieved from the Web. - The Python package `ftfy`_ can automatically sort out some classes of - decoding errors, so you could try decoding the unknown text as ``latin-1`` - and then using ``ftfy`` to fix errors. - -- If the text is in a mish-mash of encodings that is simply too hard to sort - out (which is the case for the 20 Newsgroups dataset), you can fall back on - a simple single-byte encoding such as ``latin-1``. Some text may display - incorrectly, but at least the same sequence of bytes will always represent - the same feature. - -For example, the following snippet uses ``chardet`` -(not shipped with scikit-learn, must be installed separately) -to figure out the encoding of three texts. -It then vectorizes the texts and prints the learned vocabulary. -The output is not shown here. - - >>> import chardet # doctest: +SKIP - >>> text1 = b"Sei mir gegr\xc3\xbc\xc3\x9ft mein Sauerkraut" - >>> text2 = b"holdselig sind deine Ger\xfcche" - >>> text3 = b"\xff\xfeA\x00u\x00f\x00 \x00F\x00l\x00\xfc\x00g\x00e\x00l\x00n\x00 \x00d\x00e\x00s\x00 \x00G\x00e\x00s\x00a\x00n\x00g\x00e\x00s\x00,\x00 \x00H\x00e\x00r\x00z\x00l\x00i\x00e\x00b\x00c\x00h\x00e\x00n\x00,\x00 \x00t\x00r\x00a\x00g\x00 \x00i\x00c\x00h\x00 \x00d\x00i\x00c\x00h\x00 \x00f\x00o\x00r\x00t\x00" - >>> decoded = [x.decode(chardet.detect(x)['encoding']) - ... for x in (text1, text2, text3)] # doctest: +SKIP - >>> v = CountVectorizer().fit(decoded).vocabulary_ # doctest: +SKIP - >>> for term in v: print(v) # doctest: +SKIP - -(Depending on the version of ``chardet``, it might get the first one wrong.) - -For an introduction to Unicode and character encodings in general, -see Joel Spolsky's `Absolute Minimum Every Software Developer Must Know -About Unicode `_. - -.. _`ftfy`: https://github.com/LuminosoInsight/python-ftfy - -|details-end| +.. dropdown:: Troubleshooting decoding text + + If you are having trouble decoding text, here are some things to try: + + - Find out what the actual encoding of the text is. The file might come + with a header or README that tells you the encoding, or there might be some + standard encoding you can assume based on where the text comes from. + + - You may be able to find out what kind of encoding it is in general + using the UNIX command ``file``. The Python ``chardet`` module comes with + a script called ``chardetect.py`` that will guess the specific encoding, + though you cannot rely on its guess being correct. + + - You could try UTF-8 and disregard the errors. You can decode byte + strings with ``bytes.decode(errors='replace')`` to replace all + decoding errors with a meaningless character, or set + ``decode_error='replace'`` in the vectorizer. This may damage the + usefulness of your features. + + - Real text may come from a variety of sources that may have used different + encodings, or even be sloppily decoded in a different encoding than the + one it was encoded with. This is common in text retrieved from the Web. + The Python package `ftfy `__ + can automatically sort out some classes of + decoding errors, so you could try decoding the unknown text as ``latin-1`` + and then using ``ftfy`` to fix errors. + + - If the text is in a mish-mash of encodings that is simply too hard to sort + out (which is the case for the 20 Newsgroups dataset), you can fall back on + a simple single-byte encoding such as ``latin-1``. Some text may display + incorrectly, but at least the same sequence of bytes will always represent + the same feature. + + For example, the following snippet uses ``chardet`` + (not shipped with scikit-learn, must be installed separately) + to figure out the encoding of three texts. + It then vectorizes the texts and prints the learned vocabulary. + The output is not shown here. + + >>> import chardet # doctest: +SKIP + >>> text1 = b"Sei mir gegr\xc3\xbc\xc3\x9ft mein Sauerkraut" + >>> text2 = b"holdselig sind deine Ger\xfcche" + >>> text3 = b"\xff\xfeA\x00u\x00f\x00 \x00F\x00l\x00\xfc\x00g\x00e\x00l\x00n\x00 \x00d\x00e\x00s\x00 \x00G\x00e\x00s\x00a\x00n\x00g\x00e\x00s\x00,\x00 \x00H\x00e\x00r\x00z\x00l\x00i\x00e\x00b\x00c\x00h\x00e\x00n\x00,\x00 \x00t\x00r\x00a\x00g\x00 \x00i\x00c\x00h\x00 \x00d\x00i\x00c\x00h\x00 \x00f\x00o\x00r\x00t\x00" + >>> decoded = [x.decode(chardet.detect(x)['encoding']) + ... for x in (text1, text2, text3)] # doctest: +SKIP + >>> v = CountVectorizer().fit(decoded).vocabulary_ # doctest: +SKIP + >>> for term in v: print(v) # doctest: +SKIP + + (Depending on the version of ``chardet``, it might get the first one wrong.) + + For an introduction to Unicode and character encodings in general, + see Joel Spolsky's `Absolute Minimum Every Software Developer Must Know + About Unicode `_. + Applications and examples ------------------------- @@ -884,28 +871,25 @@ The :class:`HashingVectorizer` also comes with the following limitations: model. A :class:`TfidfTransformer` can be appended to it in a pipeline if required. -|details-start| -**Performing out-of-core scaling with HashingVectorizer** -|details-split| +.. dropdown:: Performing out-of-core scaling with HashingVectorizer -An interesting development of using a :class:`HashingVectorizer` is the ability -to perform `out-of-core`_ scaling. This means that we can learn from data that -does not fit into the computer's main memory. + An interesting development of using a :class:`HashingVectorizer` is the ability + to perform `out-of-core`_ scaling. This means that we can learn from data that + does not fit into the computer's main memory. -.. _out-of-core: https://en.wikipedia.org/wiki/Out-of-core_algorithm + .. _out-of-core: https://en.wikipedia.org/wiki/Out-of-core_algorithm -A strategy to implement out-of-core scaling is to stream data to the estimator -in mini-batches. Each mini-batch is vectorized using :class:`HashingVectorizer` -so as to guarantee that the input space of the estimator has always the same -dimensionality. The amount of memory used at any time is thus bounded by the -size of a mini-batch. Although there is no limit to the amount of data that can -be ingested using such an approach, from a practical point of view the learning -time is often limited by the CPU time one wants to spend on the task. + A strategy to implement out-of-core scaling is to stream data to the estimator + in mini-batches. Each mini-batch is vectorized using :class:`HashingVectorizer` + so as to guarantee that the input space of the estimator has always the same + dimensionality. The amount of memory used at any time is thus bounded by the + size of a mini-batch. Although there is no limit to the amount of data that can + be ingested using such an approach, from a practical point of view the learning + time is often limited by the CPU time one wants to spend on the task. -For a full-fledged example of out-of-core scaling in a text classification -task see :ref:`sphx_glr_auto_examples_applications_plot_out_of_core_classification.py`. + For a full-fledged example of out-of-core scaling in a text classification + task see :ref:`sphx_glr_auto_examples_applications_plot_out_of_core_classification.py`. -|details-end| Customizing the vectorizer classes ---------------------------------- @@ -945,65 +929,58 @@ parameters it is possible to derive from the class and override the ``build_preprocessor``, ``build_tokenizer`` and ``build_analyzer`` factory methods instead of passing custom functions. -|details-start| -**Tips and tricks** -|details-split| - -Some tips and tricks: - -* If documents are pre-tokenized by an external package, then store them in - files (or strings) with the tokens separated by whitespace and pass - ``analyzer=str.split`` -* Fancy token-level analysis such as stemming, lemmatizing, compound - splitting, filtering based on part-of-speech, etc. are not included in the - scikit-learn codebase, but can be added by customizing either the - tokenizer or the analyzer. - Here's a ``CountVectorizer`` with a tokenizer and lemmatizer using - `NLTK `_:: - - >>> from nltk import word_tokenize # doctest: +SKIP - >>> from nltk.stem import WordNetLemmatizer # doctest: +SKIP - >>> class LemmaTokenizer: - ... def __init__(self): - ... self.wnl = WordNetLemmatizer() - ... def __call__(self, doc): - ... return [self.wnl.lemmatize(t) for t in word_tokenize(doc)] - ... - >>> vect = CountVectorizer(tokenizer=LemmaTokenizer()) # doctest: +SKIP - - (Note that this will not filter out punctuation.) - - - The following example will, for instance, transform some British spelling - to American spelling:: - - >>> import re - >>> def to_british(tokens): - ... for t in tokens: - ... t = re.sub(r"(...)our$", r"\1or", t) - ... t = re.sub(r"([bt])re$", r"\1er", t) - ... t = re.sub(r"([iy])s(e$|ing|ation)", r"\1z\2", t) - ... t = re.sub(r"ogue$", "og", t) - ... yield t - ... - >>> class CustomVectorizer(CountVectorizer): - ... def build_tokenizer(self): - ... tokenize = super().build_tokenizer() - ... return lambda doc: list(to_british(tokenize(doc))) - ... - >>> print(CustomVectorizer().build_analyzer()(u"color colour")) - [...'color', ...'color'] - - for other styles of preprocessing; examples include stemming, lemmatization, - or normalizing numerical tokens, with the latter illustrated in: - - * :ref:`sphx_glr_auto_examples_bicluster_plot_bicluster_newsgroups.py` - - -Customizing the vectorizer can also be useful when handling Asian languages -that do not use an explicit word separator such as whitespace. - -|details-end| +.. dropdown:: Tips and tricks + :color: success + + * If documents are pre-tokenized by an external package, then store them in + files (or strings) with the tokens separated by whitespace and pass + ``analyzer=str.split`` + * Fancy token-level analysis such as stemming, lemmatizing, compound + splitting, filtering based on part-of-speech, etc. are not included in the + scikit-learn codebase, but can be added by customizing either the + tokenizer or the analyzer. + Here's a ``CountVectorizer`` with a tokenizer and lemmatizer using + `NLTK `_:: + + >>> from nltk import word_tokenize # doctest: +SKIP + >>> from nltk.stem import WordNetLemmatizer # doctest: +SKIP + >>> class LemmaTokenizer: + ... def __init__(self): + ... self.wnl = WordNetLemmatizer() + ... def __call__(self, doc): + ... return [self.wnl.lemmatize(t) for t in word_tokenize(doc)] + ... + >>> vect = CountVectorizer(tokenizer=LemmaTokenizer()) # doctest: +SKIP + + (Note that this will not filter out punctuation.) + + The following example will, for instance, transform some British spelling + to American spelling:: + + >>> import re + >>> def to_british(tokens): + ... for t in tokens: + ... t = re.sub(r"(...)our$", r"\1or", t) + ... t = re.sub(r"([bt])re$", r"\1er", t) + ... t = re.sub(r"([iy])s(e$|ing|ation)", r"\1z\2", t) + ... t = re.sub(r"ogue$", "og", t) + ... yield t + ... + >>> class CustomVectorizer(CountVectorizer): + ... def build_tokenizer(self): + ... tokenize = super().build_tokenizer() + ... return lambda doc: list(to_british(tokenize(doc))) + ... + >>> print(CustomVectorizer().build_analyzer()(u"color colour")) + [...'color', ...'color'] + + for other styles of preprocessing; examples include stemming, lemmatization, + or normalizing numerical tokens, with the latter illustrated in: + + * :ref:`sphx_glr_auto_examples_bicluster_plot_bicluster_newsgroups.py` + + Customizing the vectorizer can also be useful when handling Asian languages + that do not use an explicit word separator such as whitespace. .. _image_feature_extraction: diff --git a/doc/modules/feature_selection.rst b/doc/modules/feature_selection.rst index 1b5ce57b0074f..6746f2f65da00 100644 --- a/doc/modules/feature_selection.rst +++ b/doc/modules/feature_selection.rst @@ -114,11 +114,11 @@ applied to non-negative features, such as frequencies. feature selection as well. One needs to provide a `score_func` where `y=None`. The `score_func` should use internally `X` to compute the scores. -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_feature_selection_plot_feature_selection.py` +* :ref:`sphx_glr_auto_examples_feature_selection_plot_feature_selection.py` - * :ref:`sphx_glr_auto_examples_feature_selection_plot_f_test_vs_mi.py` +* :ref:`sphx_glr_auto_examples_feature_selection_plot_f_test_vs_mi.py` .. _rfe: @@ -144,14 +144,14 @@ of selected features and aggregated together. Finally, the scores are averaged across folds and the number of features selected is set to the number of features that maximize the cross-validation score. -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_feature_selection_plot_rfe_digits.py`: A recursive feature elimination example - showing the relevance of pixels in a digit classification task. +* :ref:`sphx_glr_auto_examples_feature_selection_plot_rfe_digits.py`: A recursive feature elimination example + showing the relevance of pixels in a digit classification task. - * :ref:`sphx_glr_auto_examples_feature_selection_plot_rfe_with_cross_validation.py`: A recursive feature - elimination example with automatic tuning of the number of features - selected with cross-validation. +* :ref:`sphx_glr_auto_examples_feature_selection_plot_rfe_with_cross_validation.py`: A recursive feature + elimination example with automatic tuning of the number of features + selected with cross-validation. .. _select_from_model: @@ -171,9 +171,9 @@ Available heuristics are "mean", "median" and float multiples of these like For examples on how it is to be used refer to the sections below. -.. topic:: Examples +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_feature_selection_plot_select_from_model_diabetes.py` +* :ref:`sphx_glr_auto_examples_feature_selection_plot_select_from_model_diabetes.py` .. _l1_feature_selection: @@ -207,42 +207,39 @@ With SVMs and logistic-regression, the parameter C controls the sparsity: the smaller C the fewer features selected. With Lasso, the higher the alpha parameter, the fewer features selected. -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_linear_model_plot_lasso_dense_vs_sparse_data.py`. +* :ref:`sphx_glr_auto_examples_linear_model_plot_lasso_dense_vs_sparse_data.py`. .. _compressive_sensing: -|details-start| -**L1-recovery and compressive sensing** -|details-split| - -For a good choice of alpha, the :ref:`lasso` can fully recover the -exact set of non-zero variables using only few observations, provided -certain specific conditions are met. In particular, the number of -samples should be "sufficiently large", or L1 models will perform at -random, where "sufficiently large" depends on the number of non-zero -coefficients, the logarithm of the number of features, the amount of -noise, the smallest absolute value of non-zero coefficients, and the -structure of the design matrix X. In addition, the design matrix must -display certain specific properties, such as not being too correlated. - -There is no general rule to select an alpha parameter for recovery of -non-zero coefficients. It can by set by cross-validation -(:class:`~sklearn.linear_model.LassoCV` or -:class:`~sklearn.linear_model.LassoLarsCV`), though this may lead to -under-penalized models: including a small number of non-relevant variables -is not detrimental to prediction score. BIC -(:class:`~sklearn.linear_model.LassoLarsIC`) tends, on the opposite, to set -high values of alpha. - -.. topic:: Reference - - Richard G. Baraniuk "Compressive Sensing", IEEE Signal - Processing Magazine [120] July 2007 - http://users.isr.ist.utl.pt/~aguiar/CS_notes.pdf - -|details-end| +.. dropdown:: L1-recovery and compressive sensing + + For a good choice of alpha, the :ref:`lasso` can fully recover the + exact set of non-zero variables using only few observations, provided + certain specific conditions are met. In particular, the number of + samples should be "sufficiently large", or L1 models will perform at + random, where "sufficiently large" depends on the number of non-zero + coefficients, the logarithm of the number of features, the amount of + noise, the smallest absolute value of non-zero coefficients, and the + structure of the design matrix X. In addition, the design matrix must + display certain specific properties, such as not being too correlated. + + There is no general rule to select an alpha parameter for recovery of + non-zero coefficients. It can by set by cross-validation + (:class:`~sklearn.linear_model.LassoCV` or + :class:`~sklearn.linear_model.LassoLarsCV`), though this may lead to + under-penalized models: including a small number of non-relevant variables + is not detrimental to prediction score. BIC + (:class:`~sklearn.linear_model.LassoLarsIC`) tends, on the opposite, to set + high values of alpha. + + .. rubric:: References + + Richard G. Baraniuk "Compressive Sensing", IEEE Signal + Processing Magazine [120] July 2007 + http://users.isr.ist.utl.pt/~aguiar/CS_notes.pdf + Tree-based feature selection ---------------------------- @@ -268,14 +265,13 @@ meta-transformer):: >>> X_new.shape # doctest: +SKIP (150, 2) -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_ensemble_plot_forest_importances.py`: example on - synthetic data showing the recovery of the actually meaningful - features. +* :ref:`sphx_glr_auto_examples_ensemble_plot_forest_importances.py`: example on + synthetic data showing the recovery of the actually meaningful features. - * :ref:`sphx_glr_auto_examples_ensemble_plot_forest_importances_faces.py`: example - on face recognition data. +* :ref:`sphx_glr_auto_examples_ensemble_plot_forest_importances_faces.py`: example + on face recognition data. .. _sequential_feature_selection: @@ -299,38 +295,35 @@ instead of starting with no features and greedily adding features, we start with *all* the features and greedily *remove* features from the set. The `direction` parameter controls whether forward or backward SFS is used. -|details-start| -**Detail on Sequential Feature Selection** -|details-split| - -In general, forward and backward selection do not yield equivalent results. -Also, one may be much faster than the other depending on the requested number -of selected features: if we have 10 features and ask for 7 selected features, -forward selection would need to perform 7 iterations while backward selection -would only need to perform 3. - -SFS differs from :class:`~sklearn.feature_selection.RFE` and -:class:`~sklearn.feature_selection.SelectFromModel` in that it does not -require the underlying model to expose a `coef_` or `feature_importances_` -attribute. It may however be slower considering that more models need to be -evaluated, compared to the other approaches. For example in backward -selection, the iteration going from `m` features to `m - 1` features using k-fold -cross-validation requires fitting `m * k` models, while -:class:`~sklearn.feature_selection.RFE` would require only a single fit, and -:class:`~sklearn.feature_selection.SelectFromModel` always just does a single -fit and requires no iterations. - -.. topic:: Reference - - .. [sfs] Ferri et al, `Comparative study of techniques for +.. dropdown:: Details on Sequential Feature Selection + + In general, forward and backward selection do not yield equivalent results. + Also, one may be much faster than the other depending on the requested number + of selected features: if we have 10 features and ask for 7 selected features, + forward selection would need to perform 7 iterations while backward selection + would only need to perform 3. + + SFS differs from :class:`~sklearn.feature_selection.RFE` and + :class:`~sklearn.feature_selection.SelectFromModel` in that it does not + require the underlying model to expose a `coef_` or `feature_importances_` + attribute. It may however be slower considering that more models need to be + evaluated, compared to the other approaches. For example in backward + selection, the iteration going from `m` features to `m - 1` features using k-fold + cross-validation requires fitting `m * k` models, while + :class:`~sklearn.feature_selection.RFE` would require only a single fit, and + :class:`~sklearn.feature_selection.SelectFromModel` always just does a single + fit and requires no iterations. + + .. rubric:: References + + .. [sfs] Ferri et al, `Comparative study of techniques for large-scale feature selection `_. -|details-end| -.. topic:: Examples +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_feature_selection_plot_select_from_model_diabetes.py` +* :ref:`sphx_glr_auto_examples_feature_selection_plot_select_from_model_diabetes.py` Feature selection as part of a pipeline ======================================= diff --git a/doc/modules/gaussian_process.rst b/doc/modules/gaussian_process.rst index 58e56a557ed73..fb87120205f96 100644 --- a/doc/modules/gaussian_process.rst +++ b/doc/modules/gaussian_process.rst @@ -88,12 +88,12 @@ the API of standard scikit-learn estimators, :class:`GaussianProcessRegressor`: externally for other ways of selecting hyperparameters, e.g., via Markov chain Monte Carlo. -.. topic:: Examples +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_gaussian_process_plot_gpr_noisy_targets.py` - * :ref:`sphx_glr_auto_examples_gaussian_process_plot_gpr_noisy.py` - * :ref:`sphx_glr_auto_examples_gaussian_process_plot_compare_gpr_krr.py` - * :ref:`sphx_glr_auto_examples_gaussian_process_plot_gpr_co2.py` +* :ref:`sphx_glr_auto_examples_gaussian_process_plot_gpr_noisy_targets.py` +* :ref:`sphx_glr_auto_examples_gaussian_process_plot_gpr_noisy.py` +* :ref:`sphx_glr_auto_examples_gaussian_process_plot_compare_gpr_krr.py` +* :ref:`sphx_glr_auto_examples_gaussian_process_plot_gpr_co2.py` .. _gpc: @@ -239,93 +239,88 @@ also invariant to rotations in the input space. For more details, we refer to Chapter 4 of [RW2006]_. For guidance on how to best combine different kernels, we refer to [Duv2014]_. -|details-start| -**Gaussian Process Kernel API** -|details-split| - -The main usage of a :class:`Kernel` is to compute the GP's covariance between -datapoints. For this, the method ``__call__`` of the kernel can be called. This -method can either be used to compute the "auto-covariance" of all pairs of -datapoints in a 2d array X, or the "cross-covariance" of all combinations -of datapoints of a 2d array X with datapoints in a 2d array Y. The following -identity holds true for all kernels k (except for the :class:`WhiteKernel`): -``k(X) == K(X, Y=X)`` - -If only the diagonal of the auto-covariance is being used, the method ``diag()`` -of a kernel can be called, which is more computationally efficient than the -equivalent call to ``__call__``: ``np.diag(k(X, X)) == k.diag(X)`` - -Kernels are parameterized by a vector :math:`\theta` of hyperparameters. These -hyperparameters can for instance control length-scales or periodicity of a -kernel (see below). All kernels support computing analytic gradients -of the kernel's auto-covariance with respect to :math:`log(\theta)` via setting -``eval_gradient=True`` in the ``__call__`` method. -That is, a ``(len(X), len(X), len(theta))`` array is returned where the entry -``[i, j, l]`` contains :math:`\frac{\partial k_\theta(x_i, x_j)}{\partial log(\theta_l)}`. -This gradient is used by the Gaussian process (both regressor and classifier) -in computing the gradient of the log-marginal-likelihood, which in turn is used -to determine the value of :math:`\theta`, which maximizes the log-marginal-likelihood, -via gradient ascent. For each hyperparameter, the initial value and the -bounds need to be specified when creating an instance of the kernel. The -current value of :math:`\theta` can be get and set via the property -``theta`` of the kernel object. Moreover, the bounds of the hyperparameters can be -accessed by the property ``bounds`` of the kernel. Note that both properties -(theta and bounds) return log-transformed values of the internally used values -since those are typically more amenable to gradient-based optimization. -The specification of each hyperparameter is stored in the form of an instance of -:class:`Hyperparameter` in the respective kernel. Note that a kernel using a -hyperparameter with name "x" must have the attributes self.x and self.x_bounds. - -The abstract base class for all kernels is :class:`Kernel`. Kernel implements a -similar interface as :class:`~sklearn.base.BaseEstimator`, providing the -methods ``get_params()``, ``set_params()``, and ``clone()``. This allows -setting kernel values also via meta-estimators such as -:class:`~sklearn.pipeline.Pipeline` or -:class:`~sklearn.model_selection.GridSearchCV`. Note that due to the nested -structure of kernels (by applying kernel operators, see below), the names of -kernel parameters might become relatively complicated. In general, for a binary -kernel operator, parameters of the left operand are prefixed with ``k1__`` and -parameters of the right operand with ``k2__``. An additional convenience method -is ``clone_with_theta(theta)``, which returns a cloned version of the kernel -but with the hyperparameters set to ``theta``. An illustrative example: - - >>> from sklearn.gaussian_process.kernels import ConstantKernel, RBF - >>> kernel = ConstantKernel(constant_value=1.0, constant_value_bounds=(0.0, 10.0)) * RBF(length_scale=0.5, length_scale_bounds=(0.0, 10.0)) + RBF(length_scale=2.0, length_scale_bounds=(0.0, 10.0)) - >>> for hyperparameter in kernel.hyperparameters: print(hyperparameter) - Hyperparameter(name='k1__k1__constant_value', value_type='numeric', bounds=array([[ 0., 10.]]), n_elements=1, fixed=False) - Hyperparameter(name='k1__k2__length_scale', value_type='numeric', bounds=array([[ 0., 10.]]), n_elements=1, fixed=False) - Hyperparameter(name='k2__length_scale', value_type='numeric', bounds=array([[ 0., 10.]]), n_elements=1, fixed=False) - >>> params = kernel.get_params() - >>> for key in sorted(params): print("%s : %s" % (key, params[key])) - k1 : 1**2 * RBF(length_scale=0.5) - k1__k1 : 1**2 - k1__k1__constant_value : 1.0 - k1__k1__constant_value_bounds : (0.0, 10.0) - k1__k2 : RBF(length_scale=0.5) - k1__k2__length_scale : 0.5 - k1__k2__length_scale_bounds : (0.0, 10.0) - k2 : RBF(length_scale=2) - k2__length_scale : 2.0 - k2__length_scale_bounds : (0.0, 10.0) - >>> print(kernel.theta) # Note: log-transformed - [ 0. -0.69314718 0.69314718] - >>> print(kernel.bounds) # Note: log-transformed - [[ -inf 2.30258509] - [ -inf 2.30258509] - [ -inf 2.30258509]] - - -All Gaussian process kernels are interoperable with :mod:`sklearn.metrics.pairwise` -and vice versa: instances of subclasses of :class:`Kernel` can be passed as -``metric`` to ``pairwise_kernels`` from :mod:`sklearn.metrics.pairwise`. Moreover, -kernel functions from pairwise can be used as GP kernels by using the wrapper -class :class:`PairwiseKernel`. The only caveat is that the gradient of -the hyperparameters is not analytic but numeric and all those kernels support -only isotropic distances. The parameter ``gamma`` is considered to be a -hyperparameter and may be optimized. The other kernel parameters are set -directly at initialization and are kept fixed. - -|details-end| +.. dropdown:: Gaussian Process Kernel API + + The main usage of a :class:`Kernel` is to compute the GP's covariance between + datapoints. For this, the method ``__call__`` of the kernel can be called. This + method can either be used to compute the "auto-covariance" of all pairs of + datapoints in a 2d array X, or the "cross-covariance" of all combinations + of datapoints of a 2d array X with datapoints in a 2d array Y. The following + identity holds true for all kernels k (except for the :class:`WhiteKernel`): + ``k(X) == K(X, Y=X)`` + + If only the diagonal of the auto-covariance is being used, the method ``diag()`` + of a kernel can be called, which is more computationally efficient than the + equivalent call to ``__call__``: ``np.diag(k(X, X)) == k.diag(X)`` + + Kernels are parameterized by a vector :math:`\theta` of hyperparameters. These + hyperparameters can for instance control length-scales or periodicity of a + kernel (see below). All kernels support computing analytic gradients + of the kernel's auto-covariance with respect to :math:`log(\theta)` via setting + ``eval_gradient=True`` in the ``__call__`` method. + That is, a ``(len(X), len(X), len(theta))`` array is returned where the entry + ``[i, j, l]`` contains :math:`\frac{\partial k_\theta(x_i, x_j)}{\partial log(\theta_l)}`. + This gradient is used by the Gaussian process (both regressor and classifier) + in computing the gradient of the log-marginal-likelihood, which in turn is used + to determine the value of :math:`\theta`, which maximizes the log-marginal-likelihood, + via gradient ascent. For each hyperparameter, the initial value and the + bounds need to be specified when creating an instance of the kernel. The + current value of :math:`\theta` can be get and set via the property + ``theta`` of the kernel object. Moreover, the bounds of the hyperparameters can be + accessed by the property ``bounds`` of the kernel. Note that both properties + (theta and bounds) return log-transformed values of the internally used values + since those are typically more amenable to gradient-based optimization. + The specification of each hyperparameter is stored in the form of an instance of + :class:`Hyperparameter` in the respective kernel. Note that a kernel using a + hyperparameter with name "x" must have the attributes self.x and self.x_bounds. + + The abstract base class for all kernels is :class:`Kernel`. Kernel implements a + similar interface as :class:`~sklearn.base.BaseEstimator`, providing the + methods ``get_params()``, ``set_params()``, and ``clone()``. This allows + setting kernel values also via meta-estimators such as + :class:`~sklearn.pipeline.Pipeline` or + :class:`~sklearn.model_selection.GridSearchCV`. Note that due to the nested + structure of kernels (by applying kernel operators, see below), the names of + kernel parameters might become relatively complicated. In general, for a binary + kernel operator, parameters of the left operand are prefixed with ``k1__`` and + parameters of the right operand with ``k2__``. An additional convenience method + is ``clone_with_theta(theta)``, which returns a cloned version of the kernel + but with the hyperparameters set to ``theta``. An illustrative example: + + >>> from sklearn.gaussian_process.kernels import ConstantKernel, RBF + >>> kernel = ConstantKernel(constant_value=1.0, constant_value_bounds=(0.0, 10.0)) * RBF(length_scale=0.5, length_scale_bounds=(0.0, 10.0)) + RBF(length_scale=2.0, length_scale_bounds=(0.0, 10.0)) + >>> for hyperparameter in kernel.hyperparameters: print(hyperparameter) + Hyperparameter(name='k1__k1__constant_value', value_type='numeric', bounds=array([[ 0., 10.]]), n_elements=1, fixed=False) + Hyperparameter(name='k1__k2__length_scale', value_type='numeric', bounds=array([[ 0., 10.]]), n_elements=1, fixed=False) + Hyperparameter(name='k2__length_scale', value_type='numeric', bounds=array([[ 0., 10.]]), n_elements=1, fixed=False) + >>> params = kernel.get_params() + >>> for key in sorted(params): print("%s : %s" % (key, params[key])) + k1 : 1**2 * RBF(length_scale=0.5) + k1__k1 : 1**2 + k1__k1__constant_value : 1.0 + k1__k1__constant_value_bounds : (0.0, 10.0) + k1__k2 : RBF(length_scale=0.5) + k1__k2__length_scale : 0.5 + k1__k2__length_scale_bounds : (0.0, 10.0) + k2 : RBF(length_scale=2) + k2__length_scale : 2.0 + k2__length_scale_bounds : (0.0, 10.0) + >>> print(kernel.theta) # Note: log-transformed + [ 0. -0.69314718 0.69314718] + >>> print(kernel.bounds) # Note: log-transformed + [[ -inf 2.30258509] + [ -inf 2.30258509] + [ -inf 2.30258509]] + + All Gaussian process kernels are interoperable with :mod:`sklearn.metrics.pairwise` + and vice versa: instances of subclasses of :class:`Kernel` can be passed as + ``metric`` to ``pairwise_kernels`` from :mod:`sklearn.metrics.pairwise`. Moreover, + kernel functions from pairwise can be used as GP kernels by using the wrapper + class :class:`PairwiseKernel`. The only caveat is that the gradient of + the hyperparameters is not analytic but numeric and all those kernels support + only isotropic distances. The parameter ``gamma`` is considered to be a + hyperparameter and may be optimized. The other kernel parameters are set + directly at initialization and are kept fixed. Basic kernels ------------- @@ -388,42 +383,38 @@ The :class:`Matern` kernel is a stationary kernel and a generalization of the :class:`RBF` kernel. It has an additional parameter :math:`\nu` which controls the smoothness of the resulting function. It is parameterized by a length-scale parameter :math:`l>0`, which can either be a scalar (isotropic variant of the kernel) or a vector with the same number of dimensions as the inputs :math:`x` (anisotropic variant of the kernel). -|details-start| -**Mathematical implementation of Matérn kernel** -|details-split| +.. dropdown:: Mathematical implementation of Matérn kernel -The kernel is given by: - -.. math:: + The kernel is given by: - k(x_i, x_j) = \frac{1}{\Gamma(\nu)2^{\nu-1}}\Bigg(\frac{\sqrt{2\nu}}{l} d(x_i , x_j )\Bigg)^\nu K_\nu\Bigg(\frac{\sqrt{2\nu}}{l} d(x_i , x_j )\Bigg), + .. math:: -where :math:`d(\cdot,\cdot)` is the Euclidean distance, :math:`K_\nu(\cdot)` is a modified Bessel function and :math:`\Gamma(\cdot)` is the gamma function. -As :math:`\nu\rightarrow\infty`, the Matérn kernel converges to the RBF kernel. -When :math:`\nu = 1/2`, the Matérn kernel becomes identical to the absolute -exponential kernel, i.e., + k(x_i, x_j) = \frac{1}{\Gamma(\nu)2^{\nu-1}}\Bigg(\frac{\sqrt{2\nu}}{l} d(x_i , x_j )\Bigg)^\nu K_\nu\Bigg(\frac{\sqrt{2\nu}}{l} d(x_i , x_j )\Bigg), -.. math:: - k(x_i, x_j) = \exp \Bigg(- \frac{1}{l} d(x_i , x_j ) \Bigg) \quad \quad \nu= \tfrac{1}{2} + where :math:`d(\cdot,\cdot)` is the Euclidean distance, :math:`K_\nu(\cdot)` is a modified Bessel function and :math:`\Gamma(\cdot)` is the gamma function. + As :math:`\nu\rightarrow\infty`, the Matérn kernel converges to the RBF kernel. + When :math:`\nu = 1/2`, the Matérn kernel becomes identical to the absolute + exponential kernel, i.e., -In particular, :math:`\nu = 3/2`: + .. math:: + k(x_i, x_j) = \exp \Bigg(- \frac{1}{l} d(x_i , x_j ) \Bigg) \quad \quad \nu= \tfrac{1}{2} -.. math:: - k(x_i, x_j) = \Bigg(1 + \frac{\sqrt{3}}{l} d(x_i , x_j )\Bigg) \exp \Bigg(-\frac{\sqrt{3}}{l} d(x_i , x_j ) \Bigg) \quad \quad \nu= \tfrac{3}{2} + In particular, :math:`\nu = 3/2`: -and :math:`\nu = 5/2`: + .. math:: + k(x_i, x_j) = \Bigg(1 + \frac{\sqrt{3}}{l} d(x_i , x_j )\Bigg) \exp \Bigg(-\frac{\sqrt{3}}{l} d(x_i , x_j ) \Bigg) \quad \quad \nu= \tfrac{3}{2} -.. math:: - k(x_i, x_j) = \Bigg(1 + \frac{\sqrt{5}}{l} d(x_i , x_j ) +\frac{5}{3l} d(x_i , x_j )^2 \Bigg) \exp \Bigg(-\frac{\sqrt{5}}{l} d(x_i , x_j ) \Bigg) \quad \quad \nu= \tfrac{5}{2} + and :math:`\nu = 5/2`: -are popular choices for learning functions that are not infinitely -differentiable (as assumed by the RBF kernel) but at least once (:math:`\nu = -3/2`) or twice differentiable (:math:`\nu = 5/2`). + .. math:: + k(x_i, x_j) = \Bigg(1 + \frac{\sqrt{5}}{l} d(x_i , x_j ) +\frac{5}{3l} d(x_i , x_j )^2 \Bigg) \exp \Bigg(-\frac{\sqrt{5}}{l} d(x_i , x_j ) \Bigg) \quad \quad \nu= \tfrac{5}{2} -The flexibility of controlling the smoothness of the learned function via :math:`\nu` -allows adapting to the properties of the true underlying functional relation. + are popular choices for learning functions that are not infinitely + differentiable (as assumed by the RBF kernel) but at least once (:math:`\nu = + 3/2`) or twice differentiable (:math:`\nu = 5/2`). -|details-end| + The flexibility of controlling the smoothness of the learned function via :math:`\nu` + allows adapting to the properties of the true underlying functional relation. The prior and posterior of a GP resulting from a Matérn kernel are shown in the following figure: diff --git a/doc/modules/grid_search.rst b/doc/modules/grid_search.rst index 01c5a5c72ee52..12ee76d8e4d39 100644 --- a/doc/modules/grid_search.rst +++ b/doc/modules/grid_search.rst @@ -72,35 +72,35 @@ evaluated and the best combination is retained. .. currentmodule:: sklearn.model_selection -.. topic:: Examples: +.. rubric:: Examples - - See :ref:`sphx_glr_auto_examples_model_selection_plot_grid_search_digits.py` for an example of - Grid Search computation on the digits dataset. +- See :ref:`sphx_glr_auto_examples_model_selection_plot_grid_search_digits.py` for an example of + Grid Search computation on the digits dataset. - - See :ref:`sphx_glr_auto_examples_model_selection_plot_grid_search_text_feature_extraction.py` for an example - of Grid Search coupling parameters from a text documents feature - extractor (n-gram count vectorizer and TF-IDF transformer) with a - classifier (here a linear SVM trained with SGD with either elastic - net or L2 penalty) using a :class:`~sklearn.pipeline.Pipeline` instance. +- See :ref:`sphx_glr_auto_examples_model_selection_plot_grid_search_text_feature_extraction.py` for an example + of Grid Search coupling parameters from a text documents feature + extractor (n-gram count vectorizer and TF-IDF transformer) with a + classifier (here a linear SVM trained with SGD with either elastic + net or L2 penalty) using a :class:`~sklearn.pipeline.Pipeline` instance. - - See :ref:`sphx_glr_auto_examples_model_selection_plot_nested_cross_validation_iris.py` - for an example of Grid Search within a cross validation loop on the iris - dataset. This is the best practice for evaluating the performance of a - model with grid search. +- See :ref:`sphx_glr_auto_examples_model_selection_plot_nested_cross_validation_iris.py` + for an example of Grid Search within a cross validation loop on the iris + dataset. This is the best practice for evaluating the performance of a + model with grid search. - - See :ref:`sphx_glr_auto_examples_model_selection_plot_multi_metric_evaluation.py` - for an example of :class:`GridSearchCV` being used to evaluate multiple - metrics simultaneously. +- See :ref:`sphx_glr_auto_examples_model_selection_plot_multi_metric_evaluation.py` + for an example of :class:`GridSearchCV` being used to evaluate multiple + metrics simultaneously. - - See :ref:`sphx_glr_auto_examples_model_selection_plot_grid_search_refit_callable.py` - for an example of using ``refit=callable`` interface in - :class:`GridSearchCV`. The example shows how this interface adds certain - amount of flexibility in identifying the "best" estimator. This interface - can also be used in multiple metrics evaluation. +- See :ref:`sphx_glr_auto_examples_model_selection_plot_grid_search_refit_callable.py` + for an example of using ``refit=callable`` interface in + :class:`GridSearchCV`. The example shows how this interface adds certain + amount of flexibility in identifying the "best" estimator. This interface + can also be used in multiple metrics evaluation. - - See :ref:`sphx_glr_auto_examples_model_selection_plot_grid_search_stats.py` - for an example of how to do a statistical comparison on the outputs of - :class:`GridSearchCV`. +- See :ref:`sphx_glr_auto_examples_model_selection_plot_grid_search_stats.py` + for an example of how to do a statistical comparison on the outputs of + :class:`GridSearchCV`. .. _randomized_parameter_search: @@ -161,16 +161,16 @@ variable that is log-uniformly distributed between ``1e0`` and ``1e3``:: 'kernel': ['rbf'], 'class_weight':['balanced', None]} -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_model_selection_plot_randomized_search.py` compares the usage and efficiency - of randomized search and grid search. +* :ref:`sphx_glr_auto_examples_model_selection_plot_randomized_search.py` compares the usage and efficiency + of randomized search and grid search. -.. topic:: References: +.. rubric:: References - * Bergstra, J. and Bengio, Y., - Random search for hyper-parameter optimization, - The Journal of Machine Learning Research (2012) +* Bergstra, J. and Bengio, Y., + Random search for hyper-parameter optimization, + The Journal of Machine Learning Research (2012) .. _successive_halving_user_guide: @@ -222,10 +222,10 @@ need to explicitly import ``enable_halving_search_cv``:: >>> from sklearn.model_selection import HalvingGridSearchCV >>> from sklearn.model_selection import HalvingRandomSearchCV -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_model_selection_plot_successive_halving_heatmap.py` - * :ref:`sphx_glr_auto_examples_model_selection_plot_successive_halving_iterations.py` +* :ref:`sphx_glr_auto_examples_model_selection_plot_successive_halving_heatmap.py` +* :ref:`sphx_glr_auto_examples_model_selection_plot_successive_halving_iterations.py` Choosing ``min_resources`` and the number of candidates ------------------------------------------------------- @@ -528,15 +528,16 @@ In the example above, the best parameter combination is ``{'criterion': since it has reached the last iteration (3) with the highest score: 0.96. -.. topic:: References: +.. rubric:: References - .. [1] K. Jamieson, A. Talwalkar, - `Non-stochastic Best Arm Identification and Hyperparameter - Optimization `_, in - proc. of Machine Learning Research, 2016. - .. [2] L. Li, K. Jamieson, G. DeSalvo, A. Rostamizadeh, A. Talwalkar, - :arxiv:`Hyperband: A Novel Bandit-Based Approach to Hyperparameter Optimization - <1603.06560>`, in Machine Learning Research 18, 2018. +.. [1] K. Jamieson, A. Talwalkar, + `Non-stochastic Best Arm Identification and Hyperparameter + Optimization `_, in + proc. of Machine Learning Research, 2016. + +.. [2] L. Li, K. Jamieson, G. DeSalvo, A. Rostamizadeh, A. Talwalkar, + :arxiv:`Hyperband: A Novel Bandit-Based Approach to Hyperparameter Optimization + <1603.06560>`, in Machine Learning Research 18, 2018. .. _grid_search_tips: diff --git a/doc/modules/impute.rst b/doc/modules/impute.rst index f5879cbffc0a5..1431f26132338 100644 --- a/doc/modules/impute.rst +++ b/doc/modules/impute.rst @@ -224,13 +224,13 @@ neighbors of samples with missing values:: For another example on usage, see :ref:`sphx_glr_auto_examples_impute_plot_missing_values.py`. -.. topic:: References +.. rubric:: References - .. [OL2001] `Olga Troyanskaya, Michael Cantor, Gavin Sherlock, Pat Brown, - Trevor Hastie, Robert Tibshirani, David Botstein and Russ B. Altman, - Missing value estimation methods for DNA microarrays, BIOINFORMATICS - Vol. 17 no. 6, 2001 Pages 520-525. - `_ +.. [OL2001] `Olga Troyanskaya, Michael Cantor, Gavin Sherlock, Pat Brown, + Trevor Hastie, Robert Tibshirani, David Botstein and Russ B. Altman, + Missing value estimation methods for DNA microarrays, BIOINFORMATICS + Vol. 17 no. 6, 2001 Pages 520-525. + `_ Keeping the number of features constant ======================================= diff --git a/doc/modules/isotonic.rst b/doc/modules/isotonic.rst index 6cfdc1669de5d..50fbdb24e72c7 100644 --- a/doc/modules/isotonic.rst +++ b/doc/modules/isotonic.rst @@ -32,6 +32,6 @@ thus form a function that is piecewise linear: :target: ../auto_examples/miscellaneous/plot_isotonic_regression.html :align: center -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_miscellaneous_plot_isotonic_regression.py` +* :ref:`sphx_glr_auto_examples_miscellaneous_plot_isotonic_regression.py` diff --git a/doc/modules/kernel_approximation.rst b/doc/modules/kernel_approximation.rst index 0c67c36178e3b..305c3cc6601fb 100644 --- a/doc/modules/kernel_approximation.rst +++ b/doc/modules/kernel_approximation.rst @@ -88,12 +88,12 @@ function or a precomputed kernel matrix. The number of samples used - which is also the dimensionality of the features computed - is given by the parameter ``n_components``. -.. topic:: Examples: +.. rubric:: Examples - * See the example entitled - :ref:`sphx_glr_auto_examples_applications_plot_cyclical_feature_engineering.py`, - that shows an efficient machine learning pipeline that uses a - :class:`Nystroem` kernel. +* See the example entitled + :ref:`sphx_glr_auto_examples_applications_plot_cyclical_feature_engineering.py`, + that shows an efficient machine learning pipeline that uses a + :class:`Nystroem` kernel. .. _rbf_kernel_approx: @@ -143,9 +143,9 @@ use of larger feature spaces more efficient. Comparing an exact RBF kernel (left) with the approximation (right) -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_miscellaneous_plot_kernel_approximation.py` +* :ref:`sphx_glr_auto_examples_miscellaneous_plot_kernel_approximation.py` .. _additive_chi_kernel_approx: @@ -241,9 +241,9 @@ In addition, this method can transform samples in time, where :math:`n_{\text{components}}` is the desired output dimension, determined by ``n_components``. -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_kernel_approximation_plot_scalable_poly_kernels.py` +* :ref:`sphx_glr_auto_examples_kernel_approximation_plot_scalable_poly_kernels.py` .. _tensor_sketch_kernel_approx: @@ -283,29 +283,29 @@ The classes in this submodule allow to approximate the embedding or store training examples. -.. topic:: References: - - .. [WS2001] `"Using the Nyström method to speed up kernel machines" - `_ - Williams, C.K.I.; Seeger, M. - 2001. - .. [RR2007] `"Random features for large-scale kernel machines" - `_ - Rahimi, A. and Recht, B. - Advances in neural information processing 2007, - .. [LS2010] `"Random Fourier approximations for skewed multiplicative histogram kernels" - `_ - Li, F., Ionescu, C., and Sminchisescu, C. - - Pattern Recognition, DAGM 2010, Lecture Notes in Computer Science. - .. [VZ2010] `"Efficient additive kernels via explicit feature maps" - `_ - Vedaldi, A. and Zisserman, A. - Computer Vision and Pattern Recognition 2010 - .. [VVZ2010] `"Generalized RBF feature maps for Efficient Detection" - `_ - Vempati, S. and Vedaldi, A. and Zisserman, A. and Jawahar, CV - 2010 - .. [PP2013] :doi:`"Fast and scalable polynomial kernels via explicit feature maps" - <10.1145/2487575.2487591>` - Pham, N., & Pagh, R. - 2013 - .. [CCF2002] `"Finding frequent items in data streams" - `_ - Charikar, M., Chen, K., & Farach-Colton - 2002 - .. [WIKICS] `"Wikipedia: Count sketch" - `_ +.. rubric:: References + +.. [WS2001] `"Using the Nyström method to speed up kernel machines" + `_ + Williams, C.K.I.; Seeger, M. - 2001. +.. [RR2007] `"Random features for large-scale kernel machines" + `_ + Rahimi, A. and Recht, B. - Advances in neural information processing 2007, +.. [LS2010] `"Random Fourier approximations for skewed multiplicative histogram kernels" + `_ + Li, F., Ionescu, C., and Sminchisescu, C. + - Pattern Recognition, DAGM 2010, Lecture Notes in Computer Science. +.. [VZ2010] `"Efficient additive kernels via explicit feature maps" + `_ + Vedaldi, A. and Zisserman, A. - Computer Vision and Pattern Recognition 2010 +.. [VVZ2010] `"Generalized RBF feature maps for Efficient Detection" + `_ + Vempati, S. and Vedaldi, A. and Zisserman, A. and Jawahar, CV - 2010 +.. [PP2013] :doi:`"Fast and scalable polynomial kernels via explicit feature maps" + <10.1145/2487575.2487591>` + Pham, N., & Pagh, R. - 2013 +.. [CCF2002] `"Finding frequent items in data streams" + `_ + Charikar, M., Chen, K., & Farach-Colton - 2002 +.. [WIKICS] `"Wikipedia: Count sketch" + `_ diff --git a/doc/modules/kernel_ridge.rst b/doc/modules/kernel_ridge.rst index 5d25ce71f5ea1..fcc19a49628c4 100644 --- a/doc/modules/kernel_ridge.rst +++ b/doc/modules/kernel_ridge.rst @@ -55,11 +55,11 @@ dense model. :target: ../auto_examples/miscellaneous/plot_kernel_ridge_regression.html :align: center -.. topic:: Examples +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_miscellaneous_plot_kernel_ridge_regression.py` +* :ref:`sphx_glr_auto_examples_miscellaneous_plot_kernel_ridge_regression.py` -.. topic:: References: +.. rubric:: References - .. [M2012] "Machine Learning: A Probabilistic Perspective" - Murphy, K. P. - chapter 14.4.3, pp. 492-493, The MIT Press, 2012 +.. [M2012] "Machine Learning: A Probabilistic Perspective" + Murphy, K. P. - chapter 14.4.3, pp. 492-493, The MIT Press, 2012 diff --git a/doc/modules/lda_qda.rst b/doc/modules/lda_qda.rst index 850a848fe3f73..0d264ec662a9f 100644 --- a/doc/modules/lda_qda.rst +++ b/doc/modules/lda_qda.rst @@ -29,10 +29,10 @@ Discriminant Analysis can only learn linear boundaries, while Quadratic Discriminant Analysis can learn quadratic boundaries and is therefore more flexible. -.. topic:: Examples: +.. rubric:: Examples - :ref:`sphx_glr_auto_examples_classification_plot_lda_qda.py`: Comparison of LDA and QDA - on synthetic data. +* :ref:`sphx_glr_auto_examples_classification_plot_lda_qda.py`: Comparison of LDA and + QDA on synthetic data. Dimensionality reduction using Linear Discriminant Analysis =========================================================== @@ -49,10 +49,10 @@ This is implemented in the `transform` method. The desired dimensionality can be set using the ``n_components`` parameter. This parameter has no influence on the `fit` and `predict` methods. -.. topic:: Examples: +.. rubric:: Examples - :ref:`sphx_glr_auto_examples_decomposition_plot_pca_vs_lda.py`: Comparison of LDA and PCA - for dimensionality reduction of the Iris dataset +* :ref:`sphx_glr_auto_examples_decomposition_plot_pca_vs_lda.py`: Comparison of LDA and + PCA for dimensionality reduction of the Iris dataset .. _lda_qda_math: @@ -194,7 +194,7 @@ Oracle Approximating Shrinkage estimator :class:`sklearn.covariance.OAS` yields a smaller Mean Squared Error than the one given by Ledoit and Wolf's formula used with shrinkage="auto". In LDA, the data are assumed to be gaussian conditionally to the class. If these assumptions hold, using LDA with -the OAS estimator of covariance will yield a better classification +the OAS estimator of covariance will yield a better classification accuracy than if Ledoit and Wolf or the empirical covariance estimator is used. The covariance estimator can be chosen using with the ``covariance_estimator`` @@ -210,10 +210,10 @@ class. A covariance estimator should have a :term:`fit` method and a .. centered:: |shrinkage| -.. topic:: Examples: +.. rubric:: Examples - :ref:`sphx_glr_auto_examples_classification_plot_lda.py`: Comparison of LDA classifiers - with Empirical, Ledoit Wolf and OAS covariance estimator. +* :ref:`sphx_glr_auto_examples_classification_plot_lda.py`: Comparison of LDA classifiers + with Empirical, Ledoit Wolf and OAS covariance estimator. Estimation algorithms ===================== @@ -253,13 +253,13 @@ transform, and it supports shrinkage. However, the 'eigen' solver needs to compute the covariance matrix, so it might not be suitable for situations with a high number of features. -.. topic:: References: +.. rubric:: References - .. [1] "The Elements of Statistical Learning", Hastie T., Tibshirani R., - Friedman J., Section 4.3, p.106-119, 2008. +.. [1] "The Elements of Statistical Learning", Hastie T., Tibshirani R., + Friedman J., Section 4.3, p.106-119, 2008. - .. [2] Ledoit O, Wolf M. Honey, I Shrunk the Sample Covariance Matrix. - The Journal of Portfolio Management 30(4), 110-119, 2004. +.. [2] Ledoit O, Wolf M. Honey, I Shrunk the Sample Covariance Matrix. + The Journal of Portfolio Management 30(4), 110-119, 2004. - .. [3] R. O. Duda, P. E. Hart, D. G. Stork. Pattern Classification - (Second Edition), section 2.6.2. +.. [3] R. O. Duda, P. E. Hart, D. G. Stork. Pattern Classification + (Second Edition), section 2.6.2. diff --git a/doc/modules/learning_curve.rst b/doc/modules/learning_curve.rst index 3d458a1a67416..f5af5a748500a 100644 --- a/doc/modules/learning_curve.rst +++ b/doc/modules/learning_curve.rst @@ -39,11 +39,11 @@ easy to see whether the estimator suffers from bias or variance. However, in high-dimensional spaces, models can become very difficult to visualize. For this reason, it is often helpful to use the tools described below. -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_model_selection_plot_underfitting_overfitting.py` - * :ref:`sphx_glr_auto_examples_model_selection_plot_validation_curve.py` - * :ref:`sphx_glr_auto_examples_model_selection_plot_learning_curve.py` +* :ref:`sphx_glr_auto_examples_model_selection_plot_underfitting_overfitting.py` +* :ref:`sphx_glr_auto_examples_model_selection_plot_validation_curve.py` +* :ref:`sphx_glr_auto_examples_model_selection_plot_learning_curve.py` .. _validation_curve: diff --git a/doc/modules/linear_model.rst b/doc/modules/linear_model.rst index b92a8c2a01019..d06101adabdb5 100644 --- a/doc/modules/linear_model.rst +++ b/doc/modules/linear_model.rst @@ -57,9 +57,9 @@ to random errors in the observed target, producing a large variance. This situation of *multicollinearity* can arise, for example, when data are collected without an experimental design. -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_linear_model_plot_ols.py` +* :ref:`sphx_glr_auto_examples_linear_model_plot_ols.py` Non-Negative Least Squares -------------------------- @@ -71,9 +71,9 @@ quantities (e.g., frequency counts or prices of goods). parameter: when set to `True` `Non-Negative Least Squares `_ are then applied. -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_linear_model_plot_nnls.py` +* :ref:`sphx_glr_auto_examples_linear_model_plot_nnls.py` Ordinary Least Squares Complexity --------------------------------- @@ -172,11 +172,11 @@ Machines `_ with a linear kernel. -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_linear_model_plot_ridge_path.py` - * :ref:`sphx_glr_auto_examples_text_plot_document_classification_20newsgroups.py` - * :ref:`sphx_glr_auto_examples_inspection_plot_linear_model_coefficient_interpretation.py` +* :ref:`sphx_glr_auto_examples_linear_model_plot_ridge_path.py` +* :ref:`sphx_glr_auto_examples_text_plot_document_classification_20newsgroups.py` +* :ref:`sphx_glr_auto_examples_inspection_plot_linear_model_coefficient_interpretation.py` Ridge Complexity ---------------- @@ -216,13 +216,11 @@ cross-validation with :class:`~sklearn.model_selection.GridSearchCV`, for example `cv=10` for 10-fold cross-validation, rather than Leave-One-Out Cross-Validation. -.. topic:: References: - +.. dropdown:: References .. [RL2007] "Notes on Regularized Least Squares", Rifkin & Lippert (`technical report `_, - `course slides - `_). + `course slides `_). .. _lasso: @@ -262,11 +260,11 @@ for another implementation:: The function :func:`lasso_path` is useful for lower-level tasks, as it computes the coefficients along the full path of possible values. -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_linear_model_plot_lasso_and_elasticnet.py` - * :ref:`sphx_glr_auto_examples_applications_plot_tomography_l1_reconstruction.py` - * :ref:`sphx_glr_auto_examples_inspection_plot_linear_model_coefficient_interpretation.py` +* :ref:`sphx_glr_auto_examples_linear_model_plot_lasso_and_elasticnet.py` +* :ref:`sphx_glr_auto_examples_applications_plot_tomography_l1_reconstruction.py` +* :ref:`sphx_glr_auto_examples_inspection_plot_linear_model_coefficient_interpretation.py` .. note:: **Feature selection with Lasso** @@ -275,23 +273,19 @@ computes the coefficients along the full path of possible values. thus be used to perform feature selection, as detailed in :ref:`l1_feature_selection`. -|details-start| -**References** -|details-split| - -The following two references explain the iterations -used in the coordinate descent solver of scikit-learn, as well as -the duality gap computation used for convergence control. +.. dropdown:: References -* "Regularization Path For Generalized linear Models by Coordinate Descent", - Friedman, Hastie & Tibshirani, J Stat Softw, 2010 (`Paper - `__). -* "An Interior-Point Method for Large-Scale L1-Regularized Least Squares," - S. J. Kim, K. Koh, M. Lustig, S. Boyd and D. Gorinevsky, - in IEEE Journal of Selected Topics in Signal Processing, 2007 - (`Paper `__) + The following two references explain the iterations + used in the coordinate descent solver of scikit-learn, as well as + the duality gap computation used for convergence control. -|details-end| + * "Regularization Path For Generalized linear Models by Coordinate Descent", + Friedman, Hastie & Tibshirani, J Stat Softw, 2010 (`Paper + `__). + * "An Interior-Point Method for Large-Scale L1-Regularized Least Squares," + S. J. Kim, K. Koh, M. Lustig, S. Boyd and D. Gorinevsky, + in IEEE Journal of Selected Topics in Signal Processing, 2007 + (`Paper `__) Setting regularization parameter -------------------------------- @@ -348,10 +342,10 @@ the problem is badly conditioned (e.g. more features than samples). :align: center :scale: 50% -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_linear_model_plot_lasso_model_selection.py` - * :ref:`sphx_glr_auto_examples_linear_model_plot_lasso_lars_ic.py` +* :ref:`sphx_glr_auto_examples_linear_model_plot_lasso_model_selection.py` +* :ref:`sphx_glr_auto_examples_linear_model_plot_lasso_lars_ic.py` .. _aic_bic: @@ -362,59 +356,57 @@ The definition of AIC (and thus BIC) might differ in the literature. In this section, we give more information regarding the criterion computed in scikit-learn. -|details-start| -**Mathematical details** -|details-split| +.. dropdown:: Mathematical details -The AIC criterion is defined as: + The AIC criterion is defined as: -.. math:: - AIC = -2 \log(\hat{L}) + 2 d + .. math:: + AIC = -2 \log(\hat{L}) + 2 d -where :math:`\hat{L}` is the maximum likelihood of the model and -:math:`d` is the number of parameters (as well referred to as degrees of -freedom in the previous section). + where :math:`\hat{L}` is the maximum likelihood of the model and + :math:`d` is the number of parameters (as well referred to as degrees of + freedom in the previous section). -The definition of BIC replace the constant :math:`2` by :math:`\log(N)`: + The definition of BIC replace the constant :math:`2` by :math:`\log(N)`: -.. math:: - BIC = -2 \log(\hat{L}) + \log(N) d + .. math:: + BIC = -2 \log(\hat{L}) + \log(N) d -where :math:`N` is the number of samples. + where :math:`N` is the number of samples. -For a linear Gaussian model, the maximum log-likelihood is defined as: + For a linear Gaussian model, the maximum log-likelihood is defined as: -.. math:: - \log(\hat{L}) = - \frac{n}{2} \log(2 \pi) - \frac{n}{2} \ln(\sigma^2) - \frac{\sum_{i=1}^{n} (y_i - \hat{y}_i)^2}{2\sigma^2} + .. math:: + \log(\hat{L}) = - \frac{n}{2} \log(2 \pi) - \frac{n}{2} \ln(\sigma^2) - \frac{\sum_{i=1}^{n} (y_i - \hat{y}_i)^2}{2\sigma^2} -where :math:`\sigma^2` is an estimate of the noise variance, -:math:`y_i` and :math:`\hat{y}_i` are respectively the true and predicted -targets, and :math:`n` is the number of samples. + where :math:`\sigma^2` is an estimate of the noise variance, + :math:`y_i` and :math:`\hat{y}_i` are respectively the true and predicted + targets, and :math:`n` is the number of samples. -Plugging the maximum log-likelihood in the AIC formula yields: + Plugging the maximum log-likelihood in the AIC formula yields: -.. math:: - AIC = n \log(2 \pi \sigma^2) + \frac{\sum_{i=1}^{n} (y_i - \hat{y}_i)^2}{\sigma^2} + 2 d + .. math:: + AIC = n \log(2 \pi \sigma^2) + \frac{\sum_{i=1}^{n} (y_i - \hat{y}_i)^2}{\sigma^2} + 2 d -The first term of the above expression is sometimes discarded since it is a -constant when :math:`\sigma^2` is provided. In addition, -it is sometimes stated that the AIC is equivalent to the :math:`C_p` statistic -[12]_. In a strict sense, however, it is equivalent only up to some constant -and a multiplicative factor. + The first term of the above expression is sometimes discarded since it is a + constant when :math:`\sigma^2` is provided. In addition, + it is sometimes stated that the AIC is equivalent to the :math:`C_p` statistic + [12]_. In a strict sense, however, it is equivalent only up to some constant + and a multiplicative factor. -At last, we mentioned above that :math:`\sigma^2` is an estimate of the -noise variance. In :class:`LassoLarsIC` when the parameter `noise_variance` is -not provided (default), the noise variance is estimated via the unbiased -estimator [13]_ defined as: + At last, we mentioned above that :math:`\sigma^2` is an estimate of the + noise variance. In :class:`LassoLarsIC` when the parameter `noise_variance` is + not provided (default), the noise variance is estimated via the unbiased + estimator [13]_ defined as: -.. math:: - \sigma^2 = \frac{\sum_{i=1}^{n} (y_i - \hat{y}_i)^2}{n - p} + .. math:: + \sigma^2 = \frac{\sum_{i=1}^{n} (y_i - \hat{y}_i)^2}{n - p} -where :math:`p` is the number of features and :math:`\hat{y}_i` is the -predicted target using an ordinary least squares regression. Note, that this -formula is valid only when `n_samples > n_features`. + where :math:`p` is the number of features and :math:`\hat{y}_i` is the + predicted target using an ordinary least squares regression. Note, that this + formula is valid only when `n_samples > n_features`. -.. topic:: References: + .. rubric:: References .. [12] :arxiv:`Zou, Hui, Trevor Hastie, and Robert Tibshirani. "On the degrees of freedom of the lasso." @@ -426,8 +418,6 @@ formula is valid only when `n_samples > n_features`. Neural computation 15.7 (2003): 1691-1714. <10.1162/089976603321891864>` -|details-end| - Comparison with the regularization parameter of SVM ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ @@ -463,33 +453,29 @@ the MultiTaskLasso are full columns. .. centered:: Fitting a time-series model, imposing that any active feature be active at all times. -.. topic:: Examples: - - * :ref:`sphx_glr_auto_examples_linear_model_plot_multi_task_lasso_support.py` +.. rubric:: Examples +* :ref:`sphx_glr_auto_examples_linear_model_plot_multi_task_lasso_support.py` -|details-start| -**Mathematical details** -|details-split| -Mathematically, it consists of a linear model trained with a mixed -:math:`\ell_1` :math:`\ell_2`-norm for regularization. -The objective function to minimize is: +.. dropdown:: Mathematical details -.. math:: \min_{W} { \frac{1}{2n_{\text{samples}}} ||X W - Y||_{\text{Fro}} ^ 2 + \alpha ||W||_{21}} + Mathematically, it consists of a linear model trained with a mixed + :math:`\ell_1` :math:`\ell_2`-norm for regularization. + The objective function to minimize is: -where :math:`\text{Fro}` indicates the Frobenius norm + .. math:: \min_{W} { \frac{1}{2n_{\text{samples}}} ||X W - Y||_{\text{Fro}} ^ 2 + \alpha ||W||_{21}} -.. math:: ||A||_{\text{Fro}} = \sqrt{\sum_{ij} a_{ij}^2} + where :math:`\text{Fro}` indicates the Frobenius norm -and :math:`\ell_1` :math:`\ell_2` reads + .. math:: ||A||_{\text{Fro}} = \sqrt{\sum_{ij} a_{ij}^2} -.. math:: ||A||_{2 1} = \sum_i \sqrt{\sum_j a_{ij}^2}. + and :math:`\ell_1` :math:`\ell_2` reads -The implementation in the class :class:`MultiTaskLasso` uses -coordinate descent as the algorithm to fit the coefficients. + .. math:: ||A||_{2 1} = \sum_i \sqrt{\sum_j a_{ij}^2}. -|details-end| + The implementation in the class :class:`MultiTaskLasso` uses + coordinate descent as the algorithm to fit the coefficients. .. _elastic_net: @@ -526,28 +512,25 @@ The objective function to minimize is in this case The class :class:`ElasticNetCV` can be used to set the parameters ``alpha`` (:math:`\alpha`) and ``l1_ratio`` (:math:`\rho`) by cross-validation. -.. topic:: Examples: - - * :ref:`sphx_glr_auto_examples_linear_model_plot_lasso_and_elasticnet.py` - * :ref:`sphx_glr_auto_examples_linear_model_plot_lasso_coordinate_descent_path.py` +.. rubric:: Examples -|details-start| -**References** -|details-split| +* :ref:`sphx_glr_auto_examples_linear_model_plot_lasso_and_elasticnet.py` +* :ref:`sphx_glr_auto_examples_linear_model_plot_lasso_coordinate_descent_path.py` +* :ref:`sphx_glr_auto_examples_linear_model_plot_elastic_net_precomputed_gram_matrix_with_weighted_samples.py` -The following two references explain the iterations -used in the coordinate descent solver of scikit-learn, as well as -the duality gap computation used for convergence control. +.. dropdown:: References -* "Regularization Path For Generalized linear Models by Coordinate Descent", - Friedman, Hastie & Tibshirani, J Stat Softw, 2010 (`Paper - `__). -* "An Interior-Point Method for Large-Scale L1-Regularized Least Squares," - S. J. Kim, K. Koh, M. Lustig, S. Boyd and D. Gorinevsky, - in IEEE Journal of Selected Topics in Signal Processing, 2007 - (`Paper `__) + The following two references explain the iterations + used in the coordinate descent solver of scikit-learn, as well as + the duality gap computation used for convergence control. -|details-end| + * "Regularization Path For Generalized linear Models by Coordinate Descent", + Friedman, Hastie & Tibshirani, J Stat Softw, 2010 (`Paper + `__). + * "An Interior-Point Method for Large-Scale L1-Regularized Least Squares," + S. J. Kim, K. Koh, M. Lustig, S. Boyd and D. Gorinevsky, + in IEEE Journal of Selected Topics in Signal Processing, 2007 + (`Paper `__) .. _multi_task_elastic_net: @@ -640,37 +623,33 @@ function of the norm of its coefficients. >>> reg.coef_ array([0.6..., 0. ]) -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_linear_model_plot_lasso_lars.py` +* :ref:`sphx_glr_auto_examples_linear_model_plot_lasso_lars.py` The Lars algorithm provides the full path of the coefficients along the regularization parameter almost for free, thus a common operation is to retrieve the path with one of the functions :func:`lars_path` or :func:`lars_path_gram`. -|details-start| -**Mathematical formulation** -|details-split| +.. dropdown:: Mathematical formulation -The algorithm is similar to forward stepwise regression, but instead -of including features at each step, the estimated coefficients are -increased in a direction equiangular to each one's correlations with -the residual. + The algorithm is similar to forward stepwise regression, but instead + of including features at each step, the estimated coefficients are + increased in a direction equiangular to each one's correlations with + the residual. -Instead of giving a vector result, the LARS solution consists of a -curve denoting the solution for each value of the :math:`\ell_1` norm of the -parameter vector. The full coefficients path is stored in the array -``coef_path_`` of shape `(n_features, max_features + 1)`. The first -column is always zero. + Instead of giving a vector result, the LARS solution consists of a + curve denoting the solution for each value of the :math:`\ell_1` norm of the + parameter vector. The full coefficients path is stored in the array + ``coef_path_`` of shape `(n_features, max_features + 1)`. The first + column is always zero. -.. topic:: References: + .. rubric:: References - * Original Algorithm is detailed in the paper `Least Angle Regression - `_ - by Hastie et al. - -|details-end| + * Original Algorithm is detailed in the paper `Least Angle Regression + `_ + by Hastie et al. .. _omp: @@ -701,21 +680,17 @@ residual is recomputed using an orthogonal projection on the space of the previously chosen dictionary elements. -.. topic:: Examples: - - * :ref:`sphx_glr_auto_examples_linear_model_plot_omp.py` +.. rubric:: Examples -|details-start| -**References** -|details-split| +* :ref:`sphx_glr_auto_examples_linear_model_plot_omp.py` -* https://www.cs.technion.ac.il/~ronrubin/Publications/KSVD-OMP-v2.pdf +.. dropdown:: References -* `Matching pursuits with time-frequency dictionaries - `_, - S. G. Mallat, Z. Zhang, + * https://www.cs.technion.ac.il/~ronrubin/Publications/KSVD-OMP-v2.pdf -|details-end| + * `Matching pursuits with time-frequency dictionaries + `_, + S. G. Mallat, Z. Zhang, .. _bayesian_regression: @@ -754,17 +729,13 @@ The disadvantages of Bayesian regression include: - Inference of the model can be time consuming. -|details-start| -**References** -|details-split| - -* A good introduction to Bayesian methods is given in C. Bishop: Pattern - Recognition and Machine learning +.. dropdown:: References -* Original Algorithm is detailed in the book `Bayesian learning for neural - networks` by Radford M. Neal + * A good introduction to Bayesian methods is given in C. Bishop: Pattern + Recognition and Machine learning -|details-end| + * Original Algorithm is detailed in the book `Bayesian learning for neural + networks` by Radford M. Neal .. _bayesian_ridge_regression: @@ -821,21 +792,17 @@ Due to the Bayesian framework, the weights found are slightly different to the ones found by :ref:`ordinary_least_squares`. However, Bayesian Ridge Regression is more robust to ill-posed problems. -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_linear_model_plot_bayesian_ridge_curvefit.py` +* :ref:`sphx_glr_auto_examples_linear_model_plot_bayesian_ridge_curvefit.py` -|details-start| -**References** -|details-split| +.. dropdown:: References -* Section 3.3 in Christopher M. Bishop: Pattern Recognition and Machine Learning, 2006 + * Section 3.3 in Christopher M. Bishop: Pattern Recognition and Machine Learning, 2006 -* David J. C. MacKay, `Bayesian Interpolation `_, 1992. + * David J. C. MacKay, `Bayesian Interpolation `_, 1992. -* Michael E. Tipping, `Sparse Bayesian Learning and the Relevance Vector Machine `_, 2001. - -|details-end| + * Michael E. Tipping, `Sparse Bayesian Learning and the Relevance Vector Machine `_, 2001. .. _automatic_relevance_determination: @@ -867,20 +834,20 @@ ARD is also known in the literature as *Sparse Bayesian Learning* and *Relevance Vector Machine* [3]_ [4]_. For a worked-out comparison between ARD and `Bayesian Ridge Regression`_, see the example below. -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_linear_model_plot_ard.py` +* :ref:`sphx_glr_auto_examples_linear_model_plot_ard.py` -.. topic:: References: +.. rubric:: References - .. [1] Christopher M. Bishop: Pattern Recognition and Machine Learning, Chapter 7.2.1 +.. [1] Christopher M. Bishop: Pattern Recognition and Machine Learning, Chapter 7.2.1 - .. [2] David Wipf and Srikantan Nagarajan: `A New View of Automatic Relevance Determination `_ +.. [2] David Wipf and Srikantan Nagarajan: `A New View of Automatic Relevance Determination `_ - .. [3] Michael E. Tipping: `Sparse Bayesian Learning and the Relevance Vector Machine `_ +.. [3] Michael E. Tipping: `Sparse Bayesian Learning and the Relevance Vector Machine `_ - .. [4] Tristan Fletcher: `Relevance Vector Machines Explained `_ +.. [4] Tristan Fletcher: `Relevance Vector Machines Explained `_ .. _Logistic_regression: @@ -917,17 +884,13 @@ regularization. implemented in scikit-learn, so it expects a categorical target, making the Logistic Regression a classifier. -.. topic:: Examples - - * :ref:`sphx_glr_auto_examples_linear_model_plot_logistic_l1_l2_sparsity.py` - - * :ref:`sphx_glr_auto_examples_linear_model_plot_logistic_path.py` +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_linear_model_plot_logistic_multinomial.py` - - * :ref:`sphx_glr_auto_examples_linear_model_plot_sparse_logistic_regression_20newsgroups.py` - - * :ref:`sphx_glr_auto_examples_linear_model_plot_sparse_logistic_regression_mnist.py` +* :ref:`sphx_glr_auto_examples_linear_model_plot_logistic_l1_l2_sparsity.py` +* :ref:`sphx_glr_auto_examples_linear_model_plot_logistic_path.py` +* :ref:`sphx_glr_auto_examples_linear_model_plot_logistic_multinomial.py` +* :ref:`sphx_glr_auto_examples_linear_model_plot_sparse_logistic_regression_20newsgroups.py` +* :ref:`sphx_glr_auto_examples_linear_model_plot_sparse_logistic_regression_mnist.py` Binary Case ----------- @@ -999,47 +962,43 @@ logistic regression, see also `log-linear model especially important when using regularization. The choice of overparameterization can be detrimental for unpenalized models since then the solution may not be unique, as shown in [16]_. -|details-start| -**Mathematical details** -|details-split| +.. dropdown:: Mathematical details -Let :math:`y_i \in {1, \ldots, K}` be the label (ordinal) encoded target variable for observation :math:`i`. -Instead of a single coefficient vector, we now have -a matrix of coefficients :math:`W` where each row vector :math:`W_k` corresponds to class -:math:`k`. We aim at predicting the class probabilities :math:`P(y_i=k|X_i)` via -:meth:`~sklearn.linear_model.LogisticRegression.predict_proba` as: + Let :math:`y_i \in {1, \ldots, K}` be the label (ordinal) encoded target variable for observation :math:`i`. + Instead of a single coefficient vector, we now have + a matrix of coefficients :math:`W` where each row vector :math:`W_k` corresponds to class + :math:`k`. We aim at predicting the class probabilities :math:`P(y_i=k|X_i)` via + :meth:`~sklearn.linear_model.LogisticRegression.predict_proba` as: -.. math:: \hat{p}_k(X_i) = \frac{\exp(X_i W_k + W_{0, k})}{\sum_{l=0}^{K-1} \exp(X_i W_l + W_{0, l})}. + .. math:: \hat{p}_k(X_i) = \frac{\exp(X_i W_k + W_{0, k})}{\sum_{l=0}^{K-1} \exp(X_i W_l + W_{0, l})}. -The objective for the optimization becomes + The objective for the optimization becomes -.. math:: - \min_W -\frac{1}{S}\sum_{i=1}^n \sum_{k=0}^{K-1} s_{ik} [y_i = k] \log(\hat{p}_k(X_i)) - + \frac{r(W)}{S C}\,. + .. math:: + \min_W -\frac{1}{S}\sum_{i=1}^n \sum_{k=0}^{K-1} s_{ik} [y_i = k] \log(\hat{p}_k(X_i)) + + \frac{r(W)}{S C}\,, -Where :math:`[P]` represents the Iverson bracket which evaluates to :math:`0` -if :math:`P` is false, otherwise it evaluates to :math:`1`. + where :math:`[P]` represents the Iverson bracket which evaluates to :math:`0` + if :math:`P` is false, otherwise it evaluates to :math:`1`. -Again, :math:`s_{ik}` are the weights assigned by the user (multiplication of sample -weights and class weights) with their sum :math:`S = \sum_{i=1}^n \sum_{k=0}^{K-1} s_{ik}`. + Again, :math:`s_{ik}` are the weights assigned by the user (multiplication of sample + weights and class weights) with their sum :math:`S = \sum_{i=1}^n \sum_{k=0}^{K-1} s_{ik}`. -We currently provide four choices -for the regularization term :math:`r(W)` via the `penalty` argument, where :math:`m` -is the number of features: + We currently provide four choices + for the regularization term :math:`r(W)` via the `penalty` argument, where :math:`m` + is the number of features: -+----------------+----------------------------------------------------------------------------------+ -| penalty | :math:`r(W)` | -+================+==================================================================================+ -| `None` | :math:`0` | -+----------------+----------------------------------------------------------------------------------+ -| :math:`\ell_1` | :math:`\|W\|_{1,1} = \sum_{i=1}^m\sum_{j=1}^{K}|W_{i,j}|` | -+----------------+----------------------------------------------------------------------------------+ -| :math:`\ell_2` | :math:`\frac{1}{2}\|W\|_F^2 = \frac{1}{2}\sum_{i=1}^m\sum_{j=1}^{K} W_{i,j}^2` | -+----------------+----------------------------------------------------------------------------------+ -| `ElasticNet` | :math:`\frac{1 - \rho}{2}\|W\|_F^2 + \rho \|W\|_{1,1}` | -+----------------+----------------------------------------------------------------------------------+ - -|details-end| + +----------------+----------------------------------------------------------------------------------+ + | penalty | :math:`r(W)` | + +================+==================================================================================+ + | `None` | :math:`0` | + +----------------+----------------------------------------------------------------------------------+ + | :math:`\ell_1` | :math:`\|W\|_{1,1} = \sum_{i=1}^m\sum_{j=1}^{K}|W_{i,j}|` | + +----------------+----------------------------------------------------------------------------------+ + | :math:`\ell_2` | :math:`\frac{1}{2}\|W\|_F^2 = \frac{1}{2}\sum_{i=1}^m\sum_{j=1}^{K} W_{i,j}^2` | + +----------------+----------------------------------------------------------------------------------+ + | `ElasticNet` | :math:`\frac{1 - \rho}{2}\|W\|_F^2 + \rho \|W\|_{1,1}` | + +----------------+----------------------------------------------------------------------------------+ Solvers ------- @@ -1047,24 +1006,24 @@ Solvers The solvers implemented in the class :class:`LogisticRegression` are "lbfgs", "liblinear", "newton-cg", "newton-cholesky", "sag" and "saga": -The following table summarizes the penalties supported by each solver: +The following table summarizes the penalties and multinomial multiclass supported by each solver: +------------------------------+-----------------+-------------+-----------------+-----------------------+-----------+------------+ | | **Solvers** | +------------------------------+-------------+-----------------+-----------------+-----------------------+-----------+------------+ | **Penalties** | **'lbfgs'** | **'liblinear'** | **'newton-cg'** | **'newton-cholesky'** | **'sag'** | **'saga'** | +------------------------------+-------------+-----------------+-----------------+-----------------------+-----------+------------+ -| Multinomial + L2 penalty | yes | no | yes | no | yes | yes | +| L2 penalty | yes | no | yes | no | yes | yes | +------------------------------+-------------+-----------------+-----------------+-----------------------+-----------+------------+ -| OVR + L2 penalty | yes | yes | yes | yes | yes | yes | +| L1 penalty | no | yes | no | no | no | yes | +------------------------------+-------------+-----------------+-----------------+-----------------------+-----------+------------+ -| Multinomial + L1 penalty | no | no | no | no | no | yes | +| Elastic-Net (L1 + L2) | no | no | no | no | no | yes | +------------------------------+-------------+-----------------+-----------------+-----------------------+-----------+------------+ -| OVR + L1 penalty | no | yes | no | no | no | yes | +| No penalty ('none') | yes | no | yes | yes | yes | yes | +------------------------------+-------------+-----------------+-----------------+-----------------------+-----------+------------+ -| Elastic-Net | no | no | no | no | no | yes | +| **Multiclass support** | | +------------------------------+-------------+-----------------+-----------------+-----------------------+-----------+------------+ -| No penalty ('none') | yes | no | yes | yes | yes | yes | +| multinomial multiclass | yes | no | yes | no | yes | yes | +------------------------------+-------------+-----------------+-----------------+-----------------------+-----------+------------+ | **Behaviors** | | +------------------------------+-------------+-----------------+-----------------+-----------------------+-----------+------------+ @@ -1096,56 +1055,54 @@ with ``fit_intercept=False`` and having many samples with ``decision_function`` zero, is likely to be a underfit, bad model and you are advised to set ``fit_intercept=True`` and increase the ``intercept_scaling``. -|details-start| -**Solvers' details** -|details-split| - -* The solver "liblinear" uses a coordinate descent (CD) algorithm, and relies - on the excellent C++ `LIBLINEAR library - `_, which is shipped with - scikit-learn. However, the CD algorithm implemented in liblinear cannot learn - a true multinomial (multiclass) model; instead, the optimization problem is - decomposed in a "one-vs-rest" fashion so separate binary classifiers are - trained for all classes. This happens under the hood, so - :class:`LogisticRegression` instances using this solver behave as multiclass - classifiers. For :math:`\ell_1` regularization :func:`sklearn.svm.l1_min_c` allows to - calculate the lower bound for C in order to get a non "null" (all feature - weights to zero) model. - -* The "lbfgs", "newton-cg" and "sag" solvers only support :math:`\ell_2` - regularization or no regularization, and are found to converge faster for some - high-dimensional data. Setting `multi_class` to "multinomial" with these solvers - learns a true multinomial logistic regression model [5]_, which means that its - probability estimates should be better calibrated than the default "one-vs-rest" - setting. - -* The "sag" solver uses Stochastic Average Gradient descent [6]_. It is faster - than other solvers for large datasets, when both the number of samples and the - number of features are large. - -* The "saga" solver [7]_ is a variant of "sag" that also supports the - non-smooth `penalty="l1"`. This is therefore the solver of choice for sparse - multinomial logistic regression. It is also the only solver that supports - `penalty="elasticnet"`. - -* The "lbfgs" is an optimization algorithm that approximates the - Broyden–Fletcher–Goldfarb–Shanno algorithm [8]_, which belongs to - quasi-Newton methods. As such, it can deal with a wide range of different training - data and is therefore the default solver. Its performance, however, suffers on poorly - scaled datasets and on datasets with one-hot encoded categorical features with rare - categories. - -* The "newton-cholesky" solver is an exact Newton solver that calculates the hessian - matrix and solves the resulting linear system. It is a very good choice for - `n_samples` >> `n_features`, but has a few shortcomings: Only :math:`\ell_2` - regularization is supported. Furthermore, because the hessian matrix is explicitly - computed, the memory usage has a quadratic dependency on `n_features` as well as on - `n_classes`. As a consequence, only the one-vs-rest scheme is implemented for the - multiclass case. - -For a comparison of some of these solvers, see [9]_. - -.. topic:: References: +.. dropdown:: Solvers' details + + * The solver "liblinear" uses a coordinate descent (CD) algorithm, and relies + on the excellent C++ `LIBLINEAR library + `_, which is shipped with + scikit-learn. However, the CD algorithm implemented in liblinear cannot learn + a true multinomial (multiclass) model; instead, the optimization problem is + decomposed in a "one-vs-rest" fashion so separate binary classifiers are + trained for all classes. This happens under the hood, so + :class:`LogisticRegression` instances using this solver behave as multiclass + classifiers. For :math:`\ell_1` regularization :func:`sklearn.svm.l1_min_c` allows to + calculate the lower bound for C in order to get a non "null" (all feature + weights to zero) model. + + * The "lbfgs", "newton-cg" and "sag" solvers only support :math:`\ell_2` + regularization or no regularization, and are found to converge faster for some + high-dimensional data. Setting `multi_class` to "multinomial" with these solvers + learns a true multinomial logistic regression model [5]_, which means that its + probability estimates should be better calibrated than the default "one-vs-rest" + setting. + + * The "sag" solver uses Stochastic Average Gradient descent [6]_. It is faster + than other solvers for large datasets, when both the number of samples and the + number of features are large. + + * The "saga" solver [7]_ is a variant of "sag" that also supports the + non-smooth `penalty="l1"`. This is therefore the solver of choice for sparse + multinomial logistic regression. It is also the only solver that supports + `penalty="elasticnet"`. + + * The "lbfgs" is an optimization algorithm that approximates the + Broyden–Fletcher–Goldfarb–Shanno algorithm [8]_, which belongs to + quasi-Newton methods. As such, it can deal with a wide range of different training + data and is therefore the default solver. Its performance, however, suffers on poorly + scaled datasets and on datasets with one-hot encoded categorical features with rare + categories. + + * The "newton-cholesky" solver is an exact Newton solver that calculates the hessian + matrix and solves the resulting linear system. It is a very good choice for + `n_samples` >> `n_features`, but has a few shortcomings: Only :math:`\ell_2` + regularization is supported. Furthermore, because the hessian matrix is explicitly + computed, the memory usage has a quadratic dependency on `n_features` as well as on + `n_classes`. As a consequence, only the one-vs-rest scheme is implemented for the + multiclass case. + + For a comparison of some of these solvers, see [9]_. + + .. rubric:: References .. [5] Christopher M. Bishop: Pattern Recognition and Machine Learning, Chapter 4.3.4 @@ -1164,8 +1121,6 @@ For a comparison of some of these solvers, see [9]_. "A Blockwise Descent Algorithm for Group-penalized Multiresponse and Multinomial Regression." <1311.6529>` -|details-end| - .. note:: **Feature selection with sparse logistic regression** @@ -1262,38 +1217,34 @@ The choice of the distribution depends on the problem at hand: used for multiclass classification. -|details-start| -**Examples of use cases** -|details-split| - -* Agriculture / weather modeling: number of rain events per year (Poisson), - amount of rainfall per event (Gamma), total rainfall per year (Tweedie / - Compound Poisson Gamma). -* Risk modeling / insurance policy pricing: number of claim events / - policyholder per year (Poisson), cost per event (Gamma), total cost per - policyholder per year (Tweedie / Compound Poisson Gamma). -* Credit Default: probability that a loan can't be paid back (Bernoulli). -* Fraud Detection: probability that a financial transaction like a cash transfer - is a fraudulent transaction (Bernoulli). -* Predictive maintenance: number of production interruption events per year - (Poisson), duration of interruption (Gamma), total interruption time per year - (Tweedie / Compound Poisson Gamma). -* Medical Drug Testing: probability of curing a patient in a set of trials or - probability that a patient will experience side effects (Bernoulli). -* News Classification: classification of news articles into three categories - namely Business News, Politics and Entertainment news (Categorical). +.. dropdown:: Examples of use cases -|details-end| + * Agriculture / weather modeling: number of rain events per year (Poisson), + amount of rainfall per event (Gamma), total rainfall per year (Tweedie / + Compound Poisson Gamma). + * Risk modeling / insurance policy pricing: number of claim events / + policyholder per year (Poisson), cost per event (Gamma), total cost per + policyholder per year (Tweedie / Compound Poisson Gamma). + * Credit Default: probability that a loan can't be paid back (Bernoulli). + * Fraud Detection: probability that a financial transaction like a cash transfer + is a fraudulent transaction (Bernoulli). + * Predictive maintenance: number of production interruption events per year + (Poisson), duration of interruption (Gamma), total interruption time per year + (Tweedie / Compound Poisson Gamma). + * Medical Drug Testing: probability of curing a patient in a set of trials or + probability that a patient will experience side effects (Bernoulli). + * News Classification: classification of news articles into three categories + namely Business News, Politics and Entertainment news (Categorical). -.. topic:: References: +.. rubric:: References - .. [10] McCullagh, Peter; Nelder, John (1989). Generalized Linear Models, - Second Edition. Boca Raton: Chapman and Hall/CRC. ISBN 0-412-31760-5. +.. [10] McCullagh, Peter; Nelder, John (1989). Generalized Linear Models, + Second Edition. Boca Raton: Chapman and Hall/CRC. ISBN 0-412-31760-5. - .. [11] Jørgensen, B. (1992). The theory of exponential dispersion models - and analysis of deviance. Monografias de matemática, no. 51. See also - `Exponential dispersion model. - `_ +.. [11] Jørgensen, B. (1992). The theory of exponential dispersion models + and analysis of deviance. Monografias de matemática, no. 51. See also + `Exponential dispersion model. + `_ Usage ----- @@ -1327,37 +1278,33 @@ Usage example:: -0.7638... -.. topic:: Examples +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_linear_model_plot_poisson_regression_non_normal_loss.py` - * :ref:`sphx_glr_auto_examples_linear_model_plot_tweedie_regression_insurance_claims.py` +* :ref:`sphx_glr_auto_examples_linear_model_plot_poisson_regression_non_normal_loss.py` +* :ref:`sphx_glr_auto_examples_linear_model_plot_tweedie_regression_insurance_claims.py` -|details-start| -**Practical considerations** -|details-split| +.. dropdown:: Practical considerations -The feature matrix `X` should be standardized before fitting. This ensures -that the penalty treats features equally. + The feature matrix `X` should be standardized before fitting. This ensures + that the penalty treats features equally. -Since the linear predictor :math:`Xw` can be negative and Poisson, -Gamma and Inverse Gaussian distributions don't support negative values, it -is necessary to apply an inverse link function that guarantees the -non-negativeness. For example with `link='log'`, the inverse link function -becomes :math:`h(Xw)=\exp(Xw)`. + Since the linear predictor :math:`Xw` can be negative and Poisson, + Gamma and Inverse Gaussian distributions don't support negative values, it + is necessary to apply an inverse link function that guarantees the + non-negativeness. For example with `link='log'`, the inverse link function + becomes :math:`h(Xw)=\exp(Xw)`. -If you want to model a relative frequency, i.e. counts per exposure (time, -volume, ...) you can do so by using a Poisson distribution and passing -:math:`y=\frac{\mathrm{counts}}{\mathrm{exposure}}` as target values -together with :math:`\mathrm{exposure}` as sample weights. For a concrete -example see e.g. -:ref:`sphx_glr_auto_examples_linear_model_plot_tweedie_regression_insurance_claims.py`. + If you want to model a relative frequency, i.e. counts per exposure (time, + volume, ...) you can do so by using a Poisson distribution and passing + :math:`y=\frac{\mathrm{counts}}{\mathrm{exposure}}` as target values + together with :math:`\mathrm{exposure}` as sample weights. For a concrete + example see e.g. + :ref:`sphx_glr_auto_examples_linear_model_plot_tweedie_regression_insurance_claims.py`. -When performing cross-validation for the `power` parameter of -`TweedieRegressor`, it is advisable to specify an explicit `scoring` function, -because the default scorer :meth:`TweedieRegressor.score` is a function of -`power` itself. - -|details-end| + When performing cross-validation for the `power` parameter of + `TweedieRegressor`, it is advisable to specify an explicit `scoring` function, + because the default scorer :meth:`TweedieRegressor.score` is a function of + `power` itself. Stochastic Gradient Descent - SGD ================================= @@ -1415,15 +1362,11 @@ For classification, :class:`PassiveAggressiveClassifier` can be used with ``loss='epsilon_insensitive'`` (PA-I) or ``loss='squared_epsilon_insensitive'`` (PA-II). -|details-start| -**References** -|details-split| - -* `"Online Passive-Aggressive Algorithms" - `_ - K. Crammer, O. Dekel, J. Keshat, S. Shalev-Shwartz, Y. Singer - JMLR 7 (2006) +.. dropdown:: References -|details-end| + * `"Online Passive-Aggressive Algorithms" + `_ + K. Crammer, O. Dekel, J. Keshat, S. Shalev-Shwartz, Y. Singer - JMLR 7 (2006) Robustness regression: outliers and modeling errors ===================================================== @@ -1533,56 +1476,48 @@ estimated only from the determined inliers. :align: center :scale: 50% -.. topic:: Examples - - * :ref:`sphx_glr_auto_examples_linear_model_plot_ransac.py` - * :ref:`sphx_glr_auto_examples_linear_model_plot_robust_fit.py` - -|details-start| -**Details of the algorithm** -|details-split| - -Each iteration performs the following steps: - -1. Select ``min_samples`` random samples from the original data and check - whether the set of data is valid (see ``is_data_valid``). -2. Fit a model to the random subset (``estimator.fit``) and check - whether the estimated model is valid (see ``is_model_valid``). -3. Classify all data as inliers or outliers by calculating the residuals - to the estimated model (``estimator.predict(X) - y``) - all data - samples with absolute residuals smaller than or equal to the - ``residual_threshold`` are considered as inliers. -4. Save fitted model as best model if number of inlier samples is - maximal. In case the current estimated model has the same number of - inliers, it is only considered as the best model if it has better score. - -These steps are performed either a maximum number of times (``max_trials``) or -until one of the special stop criteria are met (see ``stop_n_inliers`` and -``stop_score``). The final model is estimated using all inlier samples (consensus -set) of the previously determined best model. - -The ``is_data_valid`` and ``is_model_valid`` functions allow to identify and reject -degenerate combinations of random sub-samples. If the estimated model is not -needed for identifying degenerate cases, ``is_data_valid`` should be used as it -is called prior to fitting the model and thus leading to better computational -performance. - -|details-end| - -|details-start| -**References** -|details-split| - -* https://en.wikipedia.org/wiki/RANSAC -* `"Random Sample Consensus: A Paradigm for Model Fitting with Applications to - Image Analysis and Automated Cartography" - `_ - Martin A. Fischler and Robert C. Bolles - SRI International (1981) -* `"Performance Evaluation of RANSAC Family" - `_ - Sunglok Choi, Taemin Kim and Wonpil Yu - BMVC (2009) - -|details-end| +.. rubric:: Examples + +* :ref:`sphx_glr_auto_examples_linear_model_plot_ransac.py` +* :ref:`sphx_glr_auto_examples_linear_model_plot_robust_fit.py` + +.. dropdown:: Details of the algorithm + + Each iteration performs the following steps: + + 1. Select ``min_samples`` random samples from the original data and check + whether the set of data is valid (see ``is_data_valid``). + 2. Fit a model to the random subset (``estimator.fit``) and check + whether the estimated model is valid (see ``is_model_valid``). + 3. Classify all data as inliers or outliers by calculating the residuals + to the estimated model (``estimator.predict(X) - y``) - all data + samples with absolute residuals smaller than or equal to the + ``residual_threshold`` are considered as inliers. + 4. Save fitted model as best model if number of inlier samples is + maximal. In case the current estimated model has the same number of + inliers, it is only considered as the best model if it has better score. + + These steps are performed either a maximum number of times (``max_trials``) or + until one of the special stop criteria are met (see ``stop_n_inliers`` and + ``stop_score``). The final model is estimated using all inlier samples (consensus + set) of the previously determined best model. + + The ``is_data_valid`` and ``is_model_valid`` functions allow to identify and reject + degenerate combinations of random sub-samples. If the estimated model is not + needed for identifying degenerate cases, ``is_data_valid`` should be used as it + is called prior to fitting the model and thus leading to better computational + performance. + +.. dropdown:: References + + * https://en.wikipedia.org/wiki/RANSAC + * `"Random Sample Consensus: A Paradigm for Model Fitting with Applications to + Image Analysis and Automated Cartography" + `_ + Martin A. Fischler and Robert C. Bolles - SRI International (1981) + * `"Performance Evaluation of RANSAC Family" + `_ + Sunglok Choi, Taemin Kim and Wonpil Yu - BMVC (2009) .. _theil_sen_regression: @@ -1595,47 +1530,45 @@ that the robustness of the estimator decreases quickly with the dimensionality of the problem. It loses its robustness properties and becomes no better than an ordinary least squares in high dimension. -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_linear_model_plot_theilsen.py` - * :ref:`sphx_glr_auto_examples_linear_model_plot_robust_fit.py` +* :ref:`sphx_glr_auto_examples_linear_model_plot_theilsen.py` +* :ref:`sphx_glr_auto_examples_linear_model_plot_robust_fit.py` -|details-start| -**Theoretical considerations** -|details-split| +.. dropdown:: Theoretical considerations -:class:`TheilSenRegressor` is comparable to the :ref:`Ordinary Least Squares -(OLS) ` in terms of asymptotic efficiency and as an -unbiased estimator. In contrast to OLS, Theil-Sen is a non-parametric -method which means it makes no assumption about the underlying -distribution of the data. Since Theil-Sen is a median-based estimator, it -is more robust against corrupted data aka outliers. In univariate -setting, Theil-Sen has a breakdown point of about 29.3% in case of a -simple linear regression which means that it can tolerate arbitrary -corrupted data of up to 29.3%. + :class:`TheilSenRegressor` is comparable to the :ref:`Ordinary Least Squares + (OLS) ` in terms of asymptotic efficiency and as an + unbiased estimator. In contrast to OLS, Theil-Sen is a non-parametric + method which means it makes no assumption about the underlying + distribution of the data. Since Theil-Sen is a median-based estimator, it + is more robust against corrupted data aka outliers. In univariate + setting, Theil-Sen has a breakdown point of about 29.3% in case of a + simple linear regression which means that it can tolerate arbitrary + corrupted data of up to 29.3%. -.. figure:: ../auto_examples/linear_model/images/sphx_glr_plot_theilsen_001.png - :target: ../auto_examples/linear_model/plot_theilsen.html - :align: center - :scale: 50% + .. figure:: ../auto_examples/linear_model/images/sphx_glr_plot_theilsen_001.png + :target: ../auto_examples/linear_model/plot_theilsen.html + :align: center + :scale: 50% -The implementation of :class:`TheilSenRegressor` in scikit-learn follows a -generalization to a multivariate linear regression model [#f1]_ using the -spatial median which is a generalization of the median to multiple -dimensions [#f2]_. + The implementation of :class:`TheilSenRegressor` in scikit-learn follows a + generalization to a multivariate linear regression model [#f1]_ using the + spatial median which is a generalization of the median to multiple + dimensions [#f2]_. -In terms of time and space complexity, Theil-Sen scales according to + In terms of time and space complexity, Theil-Sen scales according to -.. math:: - \binom{n_{\text{samples}}}{n_{\text{subsamples}}} + .. math:: + \binom{n_{\text{samples}}}{n_{\text{subsamples}}} -which makes it infeasible to be applied exhaustively to problems with a -large number of samples and features. Therefore, the magnitude of a -subpopulation can be chosen to limit the time and space complexity by -considering only a random subset of all possible combinations. + which makes it infeasible to be applied exhaustively to problems with a + large number of samples and features. Therefore, the magnitude of a + subpopulation can be chosen to limit the time and space complexity by + considering only a random subset of all possible combinations. -.. topic:: References: + .. rubric:: References .. [#f1] Xin Dang, Hanxiang Peng, Xueqin Wang and Heping Zhang: `Theil-Sen Estimators in a Multiple Linear Regression Model. `_ @@ -1643,8 +1576,6 @@ considering only a random subset of all possible combinations. Also see the `Wikipedia page `_ -|details-end| - .. _huber_regression: @@ -1663,39 +1594,35 @@ but gives a lesser weight to them. :align: center :scale: 50% -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_linear_model_plot_huber_vs_ridge.py` +* :ref:`sphx_glr_auto_examples_linear_model_plot_huber_vs_ridge.py` -|details-start| -**Mathematical details** -|details-split| +.. dropdown:: Mathematical details -The loss function that :class:`HuberRegressor` minimizes is given by + The loss function that :class:`HuberRegressor` minimizes is given by -.. math:: + .. math:: - \min_{w, \sigma} {\sum_{i=1}^n\left(\sigma + H_{\epsilon}\left(\frac{X_{i}w - y_{i}}{\sigma}\right)\sigma\right) + \alpha {||w||_2}^2} + \min_{w, \sigma} {\sum_{i=1}^n\left(\sigma + H_{\epsilon}\left(\frac{X_{i}w - y_{i}}{\sigma}\right)\sigma\right) + \alpha {||w||_2}^2} -where + where -.. math:: + .. math:: - H_{\epsilon}(z) = \begin{cases} - z^2, & \text {if } |z| < \epsilon, \\ - 2\epsilon|z| - \epsilon^2, & \text{otherwise} - \end{cases} + H_{\epsilon}(z) = \begin{cases} + z^2, & \text {if } |z| < \epsilon, \\ + 2\epsilon|z| - \epsilon^2, & \text{otherwise} + \end{cases} -It is advised to set the parameter ``epsilon`` to 1.35 to achieve 95% -statistical efficiency. + It is advised to set the parameter ``epsilon`` to 1.35 to achieve 95% + statistical efficiency. -.. topic:: References: + .. rubric:: References * Peter J. Huber, Elvezio M. Ronchetti: Robust Statistics, Concomitant scale estimates, pg 172 -|details-end| - The :class:`HuberRegressor` differs from using :class:`SGDRegressor` with loss set to `huber` in the following ways. @@ -1745,59 +1672,51 @@ Most implementations of quantile regression are based on linear programming problem. The current implementation is based on :func:`scipy.optimize.linprog`. -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_linear_model_plot_quantile_regression.py` +* :ref:`sphx_glr_auto_examples_linear_model_plot_quantile_regression.py` -|details-start| -**Mathematical details** -|details-split| +.. dropdown:: Mathematical details -As a linear model, the :class:`QuantileRegressor` gives linear predictions -:math:`\hat{y}(w, X) = Xw` for the :math:`q`-th quantile, :math:`q \in (0, 1)`. -The weights or coefficients :math:`w` are then found by the following -minimization problem: + As a linear model, the :class:`QuantileRegressor` gives linear predictions + :math:`\hat{y}(w, X) = Xw` for the :math:`q`-th quantile, :math:`q \in (0, 1)`. + The weights or coefficients :math:`w` are then found by the following + minimization problem: -.. math:: - \min_{w} {\frac{1}{n_{\text{samples}}} - \sum_i PB_q(y_i - X_i w) + \alpha ||w||_1}. + .. math:: + \min_{w} {\frac{1}{n_{\text{samples}}} + \sum_i PB_q(y_i - X_i w) + \alpha ||w||_1}. -This consists of the pinball loss (also known as linear loss), -see also :class:`~sklearn.metrics.mean_pinball_loss`, + This consists of the pinball loss (also known as linear loss), + see also :class:`~sklearn.metrics.mean_pinball_loss`, -.. math:: - PB_q(t) = q \max(t, 0) + (1 - q) \max(-t, 0) = - \begin{cases} - q t, & t > 0, \\ - 0, & t = 0, \\ - (q-1) t, & t < 0 - \end{cases} - -and the L1 penalty controlled by parameter ``alpha``, similar to -:class:`Lasso`. + .. math:: + PB_q(t) = q \max(t, 0) + (1 - q) \max(-t, 0) = + \begin{cases} + q t, & t > 0, \\ + 0, & t = 0, \\ + (q-1) t, & t < 0 + \end{cases} -As the pinball loss is only linear in the residuals, quantile regression is -much more robust to outliers than squared error based estimation of the mean. -Somewhat in between is the :class:`HuberRegressor`. + and the L1 penalty controlled by parameter ``alpha``, similar to + :class:`Lasso`. -|details-end| + As the pinball loss is only linear in the residuals, quantile regression is + much more robust to outliers than squared error based estimation of the mean. + Somewhat in between is the :class:`HuberRegressor`. -|details-start| -**References** -|details-split| +.. dropdown:: References -* Koenker, R., & Bassett Jr, G. (1978). `Regression quantiles. - `_ - Econometrica: journal of the Econometric Society, 33-50. + * Koenker, R., & Bassett Jr, G. (1978). `Regression quantiles. + `_ + Econometrica: journal of the Econometric Society, 33-50. -* Portnoy, S., & Koenker, R. (1997). :doi:`The Gaussian hare and the Laplacian - tortoise: computability of squared-error versus absolute-error estimators. - Statistical Science, 12, 279-300 <10.1214/ss/1030037960>`. + * Portnoy, S., & Koenker, R. (1997). :doi:`The Gaussian hare and the Laplacian + tortoise: computability of squared-error versus absolute-error estimators. + Statistical Science, 12, 279-300 <10.1214/ss/1030037960>`. -* Koenker, R. (2005). :doi:`Quantile Regression <10.1017/CBO9780511754098>`. - Cambridge University Press. - -|details-end| + * Koenker, R. (2005). :doi:`Quantile Regression <10.1017/CBO9780511754098>`. + Cambridge University Press. .. _polynomial_regression: @@ -1812,38 +1731,34 @@ on nonlinear functions of the data. This approach maintains the generally fast performance of linear methods, while allowing them to fit a much wider range of data. -|details-start| -**Mathematical details** -|details-split| - -For example, a simple linear regression can be extended by constructing -**polynomial features** from the coefficients. In the standard linear -regression case, you might have a model that looks like this for -two-dimensional data: +.. dropdown:: Mathematical details -.. math:: \hat{y}(w, x) = w_0 + w_1 x_1 + w_2 x_2 + For example, a simple linear regression can be extended by constructing + **polynomial features** from the coefficients. In the standard linear + regression case, you might have a model that looks like this for + two-dimensional data: -If we want to fit a paraboloid to the data instead of a plane, we can combine -the features in second-order polynomials, so that the model looks like this: + .. math:: \hat{y}(w, x) = w_0 + w_1 x_1 + w_2 x_2 -.. math:: \hat{y}(w, x) = w_0 + w_1 x_1 + w_2 x_2 + w_3 x_1 x_2 + w_4 x_1^2 + w_5 x_2^2 + If we want to fit a paraboloid to the data instead of a plane, we can combine + the features in second-order polynomials, so that the model looks like this: -The (sometimes surprising) observation is that this is *still a linear model*: -to see this, imagine creating a new set of features + .. math:: \hat{y}(w, x) = w_0 + w_1 x_1 + w_2 x_2 + w_3 x_1 x_2 + w_4 x_1^2 + w_5 x_2^2 -.. math:: z = [x_1, x_2, x_1 x_2, x_1^2, x_2^2] + The (sometimes surprising) observation is that this is *still a linear model*: + to see this, imagine creating a new set of features -With this re-labeling of the data, our problem can be written + .. math:: z = [x_1, x_2, x_1 x_2, x_1^2, x_2^2] -.. math:: \hat{y}(w, z) = w_0 + w_1 z_1 + w_2 z_2 + w_3 z_3 + w_4 z_4 + w_5 z_5 + With this re-labeling of the data, our problem can be written -We see that the resulting *polynomial regression* is in the same class of -linear models we considered above (i.e. the model is linear in :math:`w`) -and can be solved by the same techniques. By considering linear fits within -a higher-dimensional space built with these basis functions, the model has the -flexibility to fit a much broader range of data. + .. math:: \hat{y}(w, z) = w_0 + w_1 z_1 + w_2 z_2 + w_3 z_3 + w_4 z_4 + w_5 z_5 -|details-end| + We see that the resulting *polynomial regression* is in the same class of + linear models we considered above (i.e. the model is linear in :math:`w`) + and can be solved by the same techniques. By considering linear fits within + a higher-dimensional space built with these basis functions, the model has the + flexibility to fit a much broader range of data. Here is an example of applying this idea to one-dimensional data, using polynomial features of varying degrees: diff --git a/doc/modules/manifold.rst b/doc/modules/manifold.rst index 7cc6776e37daa..785fba3097edf 100644 --- a/doc/modules/manifold.rst +++ b/doc/modules/manifold.rst @@ -102,13 +102,13 @@ unsupervised: it learns the high-dimensional structure of the data from the data itself, without the use of predetermined classifications. -.. topic:: Examples: +.. rubric:: Examples - * See :ref:`sphx_glr_auto_examples_manifold_plot_lle_digits.py` for an example of - dimensionality reduction on handwritten digits. +* See :ref:`sphx_glr_auto_examples_manifold_plot_lle_digits.py` for an example of + dimensionality reduction on handwritten digits. - * See :ref:`sphx_glr_auto_examples_manifold_plot_compare_methods.py` for an example of - dimensionality reduction on a toy "S-curve" dataset. +* See :ref:`sphx_glr_auto_examples_manifold_plot_compare_methods.py` for an example of + dimensionality reduction on a toy "S-curve" dataset. The manifold learning implementations available in scikit-learn are summarized below @@ -130,47 +130,43 @@ distances between all points. Isomap can be performed with the object :align: center :scale: 50 -|details-start| -**Complexity** -|details-split| +.. dropdown:: Complexity -The Isomap algorithm comprises three stages: + The Isomap algorithm comprises three stages: -1. **Nearest neighbor search.** Isomap uses - :class:`~sklearn.neighbors.BallTree` for efficient neighbor search. - The cost is approximately :math:`O[D \log(k) N \log(N)]`, for :math:`k` - nearest neighbors of :math:`N` points in :math:`D` dimensions. + 1. **Nearest neighbor search.** Isomap uses + :class:`~sklearn.neighbors.BallTree` for efficient neighbor search. + The cost is approximately :math:`O[D \log(k) N \log(N)]`, for :math:`k` + nearest neighbors of :math:`N` points in :math:`D` dimensions. -2. **Shortest-path graph search.** The most efficient known algorithms - for this are *Dijkstra's Algorithm*, which is approximately - :math:`O[N^2(k + \log(N))]`, or the *Floyd-Warshall algorithm*, which - is :math:`O[N^3]`. The algorithm can be selected by the user with - the ``path_method`` keyword of ``Isomap``. If unspecified, the code - attempts to choose the best algorithm for the input data. + 2. **Shortest-path graph search.** The most efficient known algorithms + for this are *Dijkstra's Algorithm*, which is approximately + :math:`O[N^2(k + \log(N))]`, or the *Floyd-Warshall algorithm*, which + is :math:`O[N^3]`. The algorithm can be selected by the user with + the ``path_method`` keyword of ``Isomap``. If unspecified, the code + attempts to choose the best algorithm for the input data. -3. **Partial eigenvalue decomposition.** The embedding is encoded in the - eigenvectors corresponding to the :math:`d` largest eigenvalues of the - :math:`N \times N` isomap kernel. For a dense solver, the cost is - approximately :math:`O[d N^2]`. This cost can often be improved using - the ``ARPACK`` solver. The eigensolver can be specified by the user - with the ``eigen_solver`` keyword of ``Isomap``. If unspecified, the - code attempts to choose the best algorithm for the input data. + 3. **Partial eigenvalue decomposition.** The embedding is encoded in the + eigenvectors corresponding to the :math:`d` largest eigenvalues of the + :math:`N \times N` isomap kernel. For a dense solver, the cost is + approximately :math:`O[d N^2]`. This cost can often be improved using + the ``ARPACK`` solver. The eigensolver can be specified by the user + with the ``eigen_solver`` keyword of ``Isomap``. If unspecified, the + code attempts to choose the best algorithm for the input data. -The overall complexity of Isomap is -:math:`O[D \log(k) N \log(N)] + O[N^2(k + \log(N))] + O[d N^2]`. + The overall complexity of Isomap is + :math:`O[D \log(k) N \log(N)] + O[N^2(k + \log(N))] + O[d N^2]`. -* :math:`N` : number of training data points -* :math:`D` : input dimension -* :math:`k` : number of nearest neighbors -* :math:`d` : output dimension + * :math:`N` : number of training data points + * :math:`D` : input dimension + * :math:`k` : number of nearest neighbors + * :math:`d` : output dimension -|details-end| +.. rubric:: References -.. topic:: References: - - * `"A global geometric framework for nonlinear dimensionality reduction" - `_ - Tenenbaum, J.B.; De Silva, V.; & Langford, J.C. Science 290 (5500) +* `"A global geometric framework for nonlinear dimensionality reduction" + `_ + Tenenbaum, J.B.; De Silva, V.; & Langford, J.C. Science 290 (5500) .. _locally_linear_embedding: @@ -191,36 +187,32 @@ Locally linear embedding can be performed with function :align: center :scale: 50 -|details-start| -**Complexity** -|details-split| - -The standard LLE algorithm comprises three stages: +.. dropdown:: Complexity -1. **Nearest Neighbors Search**. See discussion under Isomap above. + The standard LLE algorithm comprises three stages: -2. **Weight Matrix Construction**. :math:`O[D N k^3]`. - The construction of the LLE weight matrix involves the solution of a - :math:`k \times k` linear equation for each of the :math:`N` local - neighborhoods + 1. **Nearest Neighbors Search**. See discussion under Isomap above. -3. **Partial Eigenvalue Decomposition**. See discussion under Isomap above. + 2. **Weight Matrix Construction**. :math:`O[D N k^3]`. + The construction of the LLE weight matrix involves the solution of a + :math:`k \times k` linear equation for each of the :math:`N` local + neighborhoods. -The overall complexity of standard LLE is -:math:`O[D \log(k) N \log(N)] + O[D N k^3] + O[d N^2]`. + 3. **Partial Eigenvalue Decomposition**. See discussion under Isomap above. -* :math:`N` : number of training data points -* :math:`D` : input dimension -* :math:`k` : number of nearest neighbors -* :math:`d` : output dimension + The overall complexity of standard LLE is + :math:`O[D \log(k) N \log(N)] + O[D N k^3] + O[d N^2]`. -|details-end| + * :math:`N` : number of training data points + * :math:`D` : input dimension + * :math:`k` : number of nearest neighbors + * :math:`d` : output dimension -.. topic:: References: +.. rubric:: References - * `"Nonlinear dimensionality reduction by locally linear embedding" - `_ - Roweis, S. & Saul, L. Science 290:2323 (2000) +* `"Nonlinear dimensionality reduction by locally linear embedding" + `_ + Roweis, S. & Saul, L. Science 290:2323 (2000) Modified Locally Linear Embedding @@ -248,38 +240,34 @@ It requires ``n_neighbors > n_components``. :align: center :scale: 50 -|details-start| -**Complexity** -|details-split| - -The MLLE algorithm comprises three stages: +.. dropdown:: Complexity -1. **Nearest Neighbors Search**. Same as standard LLE + The MLLE algorithm comprises three stages: -2. **Weight Matrix Construction**. Approximately - :math:`O[D N k^3] + O[N (k-D) k^2]`. The first term is exactly equivalent - to that of standard LLE. The second term has to do with constructing the - weight matrix from multiple weights. In practice, the added cost of - constructing the MLLE weight matrix is relatively small compared to the - cost of stages 1 and 3. + 1. **Nearest Neighbors Search**. Same as standard LLE -3. **Partial Eigenvalue Decomposition**. Same as standard LLE + 2. **Weight Matrix Construction**. Approximately + :math:`O[D N k^3] + O[N (k-D) k^2]`. The first term is exactly equivalent + to that of standard LLE. The second term has to do with constructing the + weight matrix from multiple weights. In practice, the added cost of + constructing the MLLE weight matrix is relatively small compared to the + cost of stages 1 and 3. -The overall complexity of MLLE is -:math:`O[D \log(k) N \log(N)] + O[D N k^3] + O[N (k-D) k^2] + O[d N^2]`. + 3. **Partial Eigenvalue Decomposition**. Same as standard LLE -* :math:`N` : number of training data points -* :math:`D` : input dimension -* :math:`k` : number of nearest neighbors -* :math:`d` : output dimension + The overall complexity of MLLE is + :math:`O[D \log(k) N \log(N)] + O[D N k^3] + O[N (k-D) k^2] + O[d N^2]`. -|details-end| + * :math:`N` : number of training data points + * :math:`D` : input dimension + * :math:`k` : number of nearest neighbors + * :math:`d` : output dimension -.. topic:: References: +.. rubric:: References - * `"MLLE: Modified Locally Linear Embedding Using Multiple Weights" - `_ - Zhang, Z. & Wang, J. +* `"MLLE: Modified Locally Linear Embedding Using Multiple Weights" + `_ + Zhang, Z. & Wang, J. Hessian Eigenmapping @@ -301,36 +289,32 @@ It requires ``n_neighbors > n_components * (n_components + 3) / 2``. :align: center :scale: 50 -|details-start| -**Complexity** -|details-split| +.. dropdown:: Complexity The HLLE algorithm comprises three stages: -1. **Nearest Neighbors Search**. Same as standard LLE + 1. **Nearest Neighbors Search**. Same as standard LLE -2. **Weight Matrix Construction**. Approximately - :math:`O[D N k^3] + O[N d^6]`. The first term reflects a similar - cost to that of standard LLE. The second term comes from a QR - decomposition of the local hessian estimator. + 2. **Weight Matrix Construction**. Approximately + :math:`O[D N k^3] + O[N d^6]`. The first term reflects a similar + cost to that of standard LLE. The second term comes from a QR + decomposition of the local hessian estimator. -3. **Partial Eigenvalue Decomposition**. Same as standard LLE + 3. **Partial Eigenvalue Decomposition**. Same as standard LLE -The overall complexity of standard HLLE is -:math:`O[D \log(k) N \log(N)] + O[D N k^3] + O[N d^6] + O[d N^2]`. + The overall complexity of standard HLLE is + :math:`O[D \log(k) N \log(N)] + O[D N k^3] + O[N d^6] + O[d N^2]`. -* :math:`N` : number of training data points -* :math:`D` : input dimension -* :math:`k` : number of nearest neighbors -* :math:`d` : output dimension + * :math:`N` : number of training data points + * :math:`D` : input dimension + * :math:`k` : number of nearest neighbors + * :math:`d` : output dimension -|details-end| +.. rubric:: References -.. topic:: References: - - * `"Hessian Eigenmaps: Locally linear embedding techniques for - high-dimensional data" `_ - Donoho, D. & Grimes, C. Proc Natl Acad Sci USA. 100:5591 (2003) +* `"Hessian Eigenmaps: Locally linear embedding techniques for + high-dimensional data" `_ + Donoho, D. & Grimes, C. Proc Natl Acad Sci USA. 100:5591 (2003) .. _spectral_embedding: @@ -348,38 +332,34 @@ preserving local distances. Spectral embedding can be performed with the function :func:`spectral_embedding` or its object-oriented counterpart :class:`SpectralEmbedding`. -|details-start| -**Complexity** -|details-split| - -The Spectral Embedding (Laplacian Eigenmaps) algorithm comprises three stages: +.. dropdown:: Complexity -1. **Weighted Graph Construction**. Transform the raw input data into - graph representation using affinity (adjacency) matrix representation. + The Spectral Embedding (Laplacian Eigenmaps) algorithm comprises three stages: -2. **Graph Laplacian Construction**. unnormalized Graph Laplacian - is constructed as :math:`L = D - A` for and normalized one as - :math:`L = D^{-\frac{1}{2}} (D - A) D^{-\frac{1}{2}}`. + 1. **Weighted Graph Construction**. Transform the raw input data into + graph representation using affinity (adjacency) matrix representation. -3. **Partial Eigenvalue Decomposition**. Eigenvalue decomposition is - done on graph Laplacian + 2. **Graph Laplacian Construction**. unnormalized Graph Laplacian + is constructed as :math:`L = D - A` for and normalized one as + :math:`L = D^{-\frac{1}{2}} (D - A) D^{-\frac{1}{2}}`. -The overall complexity of spectral embedding is -:math:`O[D \log(k) N \log(N)] + O[D N k^3] + O[d N^2]`. + 3. **Partial Eigenvalue Decomposition**. Eigenvalue decomposition is + done on graph Laplacian. -* :math:`N` : number of training data points -* :math:`D` : input dimension -* :math:`k` : number of nearest neighbors -* :math:`d` : output dimension + The overall complexity of spectral embedding is + :math:`O[D \log(k) N \log(N)] + O[D N k^3] + O[d N^2]`. -|details-end| + * :math:`N` : number of training data points + * :math:`D` : input dimension + * :math:`k` : number of nearest neighbors + * :math:`d` : output dimension -.. topic:: References: +.. rubric:: References - * `"Laplacian Eigenmaps for Dimensionality Reduction - and Data Representation" - `_ - M. Belkin, P. Niyogi, Neural Computation, June 2003; 15 (6):1373-1396 +* `"Laplacian Eigenmaps for Dimensionality Reduction + and Data Representation" + `_ + M. Belkin, P. Niyogi, Neural Computation, June 2003; 15 (6):1373-1396 Local Tangent Space Alignment @@ -399,36 +379,32 @@ tangent spaces to learn the embedding. LTSA can be performed with function :align: center :scale: 50 -|details-start| -**Complexity** -|details-split| +.. dropdown:: Complexity -The LTSA algorithm comprises three stages: + The LTSA algorithm comprises three stages: -1. **Nearest Neighbors Search**. Same as standard LLE + 1. **Nearest Neighbors Search**. Same as standard LLE -2. **Weight Matrix Construction**. Approximately - :math:`O[D N k^3] + O[k^2 d]`. The first term reflects a similar - cost to that of standard LLE. + 2. **Weight Matrix Construction**. Approximately + :math:`O[D N k^3] + O[k^2 d]`. The first term reflects a similar + cost to that of standard LLE. -3. **Partial Eigenvalue Decomposition**. Same as standard LLE + 3. **Partial Eigenvalue Decomposition**. Same as standard LLE -The overall complexity of standard LTSA is -:math:`O[D \log(k) N \log(N)] + O[D N k^3] + O[k^2 d] + O[d N^2]`. + The overall complexity of standard LTSA is + :math:`O[D \log(k) N \log(N)] + O[D N k^3] + O[k^2 d] + O[d N^2]`. -* :math:`N` : number of training data points -* :math:`D` : input dimension -* :math:`k` : number of nearest neighbors -* :math:`d` : output dimension + * :math:`N` : number of training data points + * :math:`D` : input dimension + * :math:`k` : number of nearest neighbors + * :math:`d` : output dimension -|details-end| +.. rubric:: References -.. topic:: References: - - * :arxiv:`"Principal manifolds and nonlinear dimensionality reduction via - tangent space alignment" - ` - Zhang, Z. & Zha, H. Journal of Shanghai Univ. 8:406 (2004) +* :arxiv:`"Principal manifolds and nonlinear dimensionality reduction via + tangent space alignment" + ` + Zhang, Z. & Zha, H. Journal of Shanghai Univ. 8:406 (2004) .. _multidimensional_scaling: @@ -467,67 +443,59 @@ the similarities chosen in some optimal ways. The objective, called the stress, is then defined by :math:`\sum_{i < j} d_{ij}(X) - \hat{d}_{ij}(X)` -|details-start| -**Metric MDS** -|details-split| - -The simplest metric :class:`MDS` model, called *absolute MDS*, disparities are defined by -:math:`\hat{d}_{ij} = S_{ij}`. With absolute MDS, the value :math:`S_{ij}` -should then correspond exactly to the distance between point :math:`i` and -:math:`j` in the embedding point. +.. dropdown:: Metric MDS -Most commonly, disparities are set to :math:`\hat{d}_{ij} = b S_{ij}`. + The simplest metric :class:`MDS` model, called *absolute MDS*, disparities are defined by + :math:`\hat{d}_{ij} = S_{ij}`. With absolute MDS, the value :math:`S_{ij}` + should then correspond exactly to the distance between point :math:`i` and + :math:`j` in the embedding point. -|details-end| + Most commonly, disparities are set to :math:`\hat{d}_{ij} = b S_{ij}`. -|details-start| -**Nonmetric MDS** -|details-split| +.. dropdown:: Nonmetric MDS -Non metric :class:`MDS` focuses on the ordination of the data. If -:math:`S_{ij} > S_{jk}`, then the embedding should enforce :math:`d_{ij} < -d_{jk}`. For this reason, we discuss it in terms of dissimilarities -(:math:`\delta_{ij}`) instead of similarities (:math:`S_{ij}`). Note that -dissimilarities can easily be obtained from similarities through a simple -transform, e.g. :math:`\delta_{ij}=c_1-c_2 S_{ij}` for some real constants -:math:`c_1, c_2`. A simple algorithm to enforce proper ordination is to use a -monotonic regression of :math:`d_{ij}` on :math:`\delta_{ij}`, yielding -disparities :math:`\hat{d}_{ij}` in the same order as :math:`\delta_{ij}`. + Non metric :class:`MDS` focuses on the ordination of the data. If + :math:`S_{ij} > S_{jk}`, then the embedding should enforce :math:`d_{ij} < + d_{jk}`. For this reason, we discuss it in terms of dissimilarities + (:math:`\delta_{ij}`) instead of similarities (:math:`S_{ij}`). Note that + dissimilarities can easily be obtained from similarities through a simple + transform, e.g. :math:`\delta_{ij}=c_1-c_2 S_{ij}` for some real constants + :math:`c_1, c_2`. A simple algorithm to enforce proper ordination is to use a + monotonic regression of :math:`d_{ij}` on :math:`\delta_{ij}`, yielding + disparities :math:`\hat{d}_{ij}` in the same order as :math:`\delta_{ij}`. -A trivial solution to this problem is to set all the points on the origin. In -order to avoid that, the disparities :math:`\hat{d}_{ij}` are normalized. Note -that since we only care about relative ordering, our objective should be -invariant to simple translation and scaling, however the stress used in metric -MDS is sensitive to scaling. To address this, non-metric MDS may use a -normalized stress, known as Stress-1 defined as + A trivial solution to this problem is to set all the points on the origin. In + order to avoid that, the disparities :math:`\hat{d}_{ij}` are normalized. Note + that since we only care about relative ordering, our objective should be + invariant to simple translation and scaling, however the stress used in metric + MDS is sensitive to scaling. To address this, non-metric MDS may use a + normalized stress, known as Stress-1 defined as -.. math:: - \sqrt{\frac{\sum_{i < j} (d_{ij} - \hat{d}_{ij})^2}{\sum_{i < j} d_{ij}^2}}. + .. math:: + \sqrt{\frac{\sum_{i < j} (d_{ij} - \hat{d}_{ij})^2}{\sum_{i < j} d_{ij}^2}}. -The use of normalized Stress-1 can be enabled by setting `normalized_stress=True`, -however it is only compatible with the non-metric MDS problem and will be ignored -in the metric case. - -.. figure:: ../auto_examples/manifold/images/sphx_glr_plot_mds_001.png - :target: ../auto_examples/manifold/plot_mds.html - :align: center - :scale: 60 + The use of normalized Stress-1 can be enabled by setting `normalized_stress=True`, + however it is only compatible with the non-metric MDS problem and will be ignored + in the metric case. -|details-end| + .. figure:: ../auto_examples/manifold/images/sphx_glr_plot_mds_001.png + :target: ../auto_examples/manifold/plot_mds.html + :align: center + :scale: 60 -.. topic:: References: +.. rubric:: References - * `"Modern Multidimensional Scaling - Theory and Applications" - `_ - Borg, I.; Groenen P. Springer Series in Statistics (1997) +* `"Modern Multidimensional Scaling - Theory and Applications" + `_ + Borg, I.; Groenen P. Springer Series in Statistics (1997) - * `"Nonmetric multidimensional scaling: a numerical method" - `_ - Kruskal, J. Psychometrika, 29 (1964) +* `"Nonmetric multidimensional scaling: a numerical method" + `_ + Kruskal, J. Psychometrika, 29 (1964) - * `"Multidimensional scaling by optimizing goodness of fit to a nonmetric hypothesis" - `_ - Kruskal, J. Psychometrika, 29, (1964) +* `"Multidimensional scaling by optimizing goodness of fit to a nonmetric hypothesis" + `_ + Kruskal, J. Psychometrika, 29, (1964) .. _t_sne: @@ -575,120 +543,110 @@ The disadvantages to using t-SNE are roughly: :align: center :scale: 50 -|details-start| -**Optimizing t-SNE** -|details-split| - -The main purpose of t-SNE is visualization of high-dimensional data. Hence, -it works best when the data will be embedded on two or three dimensions. - -Optimizing the KL divergence can be a little bit tricky sometimes. There are -five parameters that control the optimization of t-SNE and therefore possibly -the quality of the resulting embedding: - -* perplexity -* early exaggeration factor -* learning rate -* maximum number of iterations -* angle (not used in the exact method) - -The perplexity is defined as :math:`k=2^{(S)}` where :math:`S` is the Shannon -entropy of the conditional probability distribution. The perplexity of a -:math:`k`-sided die is :math:`k`, so that :math:`k` is effectively the number of -nearest neighbors t-SNE considers when generating the conditional probabilities. -Larger perplexities lead to more nearest neighbors and less sensitive to small -structure. Conversely a lower perplexity considers a smaller number of -neighbors, and thus ignores more global information in favour of the -local neighborhood. As dataset sizes get larger more points will be -required to get a reasonable sample of the local neighborhood, and hence -larger perplexities may be required. Similarly noisier datasets will require -larger perplexity values to encompass enough local neighbors to see beyond -the background noise. - -The maximum number of iterations is usually high enough and does not need -any tuning. The optimization consists of two phases: the early exaggeration -phase and the final optimization. During early exaggeration the joint -probabilities in the original space will be artificially increased by -multiplication with a given factor. Larger factors result in larger gaps -between natural clusters in the data. If the factor is too high, the KL -divergence could increase during this phase. Usually it does not have to be -tuned. A critical parameter is the learning rate. If it is too low gradient -descent will get stuck in a bad local minimum. If it is too high the KL -divergence will increase during optimization. A heuristic suggested in -Belkina et al. (2019) is to set the learning rate to the sample size -divided by the early exaggeration factor. We implement this heuristic -as `learning_rate='auto'` argument. More tips can be found in -Laurens van der Maaten's FAQ (see references). The last parameter, angle, -is a tradeoff between performance and accuracy. Larger angles imply that we -can approximate larger regions by a single point, leading to better speed -but less accurate results. - -`"How to Use t-SNE Effectively" `_ -provides a good discussion of the effects of the various parameters, as well -as interactive plots to explore the effects of different parameters. - -|details-end| - -|details-start| -**Barnes-Hut t-SNE** -|details-split| - -The Barnes-Hut t-SNE that has been implemented here is usually much slower than -other manifold learning algorithms. The optimization is quite difficult -and the computation of the gradient is :math:`O[d N log(N)]`, where :math:`d` -is the number of output dimensions and :math:`N` is the number of samples. The -Barnes-Hut method improves on the exact method where t-SNE complexity is -:math:`O[d N^2]`, but has several other notable differences: - -* The Barnes-Hut implementation only works when the target dimensionality is 3 - or less. The 2D case is typical when building visualizations. -* Barnes-Hut only works with dense input data. Sparse data matrices can only be - embedded with the exact method or can be approximated by a dense low rank - projection for instance using :class:`~sklearn.decomposition.PCA` -* Barnes-Hut is an approximation of the exact method. The approximation is - parameterized with the angle parameter, therefore the angle parameter is - unused when method="exact" -* Barnes-Hut is significantly more scalable. Barnes-Hut can be used to embed - hundred of thousands of data points while the exact method can handle - thousands of samples before becoming computationally intractable - -For visualization purpose (which is the main use case of t-SNE), using the -Barnes-Hut method is strongly recommended. The exact t-SNE method is useful -for checking the theoretically properties of the embedding possibly in higher -dimensional space but limit to small datasets due to computational constraints. - -Also note that the digits labels roughly match the natural grouping found by -t-SNE while the linear 2D projection of the PCA model yields a representation -where label regions largely overlap. This is a strong clue that this data can -be well separated by non linear methods that focus on the local structure (e.g. -an SVM with a Gaussian RBF kernel). However, failing to visualize well -separated homogeneously labeled groups with t-SNE in 2D does not necessarily -imply that the data cannot be correctly classified by a supervised model. It -might be the case that 2 dimensions are not high enough to accurately represent -the internal structure of the data. - -|details-end| - -.. topic:: References: - - * `"Visualizing High-Dimensional Data Using t-SNE" - `_ - van der Maaten, L.J.P.; Hinton, G. Journal of Machine Learning Research - (2008) - - * `"t-Distributed Stochastic Neighbor Embedding" - `_ - van der Maaten, L.J.P. - - * `"Accelerating t-SNE using Tree-Based Algorithms" - `_ - van der Maaten, L.J.P.; Journal of Machine Learning Research 15(Oct):3221-3245, 2014. - - * `"Automated optimized parameters for T-distributed stochastic neighbor - embedding improve visualization and analysis of large datasets" - `_ - Belkina, A.C., Ciccolella, C.O., Anno, R., Halpert, R., Spidlen, J., - Snyder-Cappione, J.E., Nature Communications 10, 5415 (2019). +.. dropdown:: Optimizing t-SNE + + The main purpose of t-SNE is visualization of high-dimensional data. Hence, + it works best when the data will be embedded on two or three dimensions. + + Optimizing the KL divergence can be a little bit tricky sometimes. There are + five parameters that control the optimization of t-SNE and therefore possibly + the quality of the resulting embedding: + + * perplexity + * early exaggeration factor + * learning rate + * maximum number of iterations + * angle (not used in the exact method) + + The perplexity is defined as :math:`k=2^{(S)}` where :math:`S` is the Shannon + entropy of the conditional probability distribution. The perplexity of a + :math:`k`-sided die is :math:`k`, so that :math:`k` is effectively the number of + nearest neighbors t-SNE considers when generating the conditional probabilities. + Larger perplexities lead to more nearest neighbors and less sensitive to small + structure. Conversely a lower perplexity considers a smaller number of + neighbors, and thus ignores more global information in favour of the + local neighborhood. As dataset sizes get larger more points will be + required to get a reasonable sample of the local neighborhood, and hence + larger perplexities may be required. Similarly noisier datasets will require + larger perplexity values to encompass enough local neighbors to see beyond + the background noise. + + The maximum number of iterations is usually high enough and does not need + any tuning. The optimization consists of two phases: the early exaggeration + phase and the final optimization. During early exaggeration the joint + probabilities in the original space will be artificially increased by + multiplication with a given factor. Larger factors result in larger gaps + between natural clusters in the data. If the factor is too high, the KL + divergence could increase during this phase. Usually it does not have to be + tuned. A critical parameter is the learning rate. If it is too low gradient + descent will get stuck in a bad local minimum. If it is too high the KL + divergence will increase during optimization. A heuristic suggested in + Belkina et al. (2019) is to set the learning rate to the sample size + divided by the early exaggeration factor. We implement this heuristic + as `learning_rate='auto'` argument. More tips can be found in + Laurens van der Maaten's FAQ (see references). The last parameter, angle, + is a tradeoff between performance and accuracy. Larger angles imply that we + can approximate larger regions by a single point, leading to better speed + but less accurate results. + + `"How to Use t-SNE Effectively" `_ + provides a good discussion of the effects of the various parameters, as well + as interactive plots to explore the effects of different parameters. + +.. dropdown:: Barnes-Hut t-SNE + + The Barnes-Hut t-SNE that has been implemented here is usually much slower than + other manifold learning algorithms. The optimization is quite difficult + and the computation of the gradient is :math:`O[d N log(N)]`, where :math:`d` + is the number of output dimensions and :math:`N` is the number of samples. The + Barnes-Hut method improves on the exact method where t-SNE complexity is + :math:`O[d N^2]`, but has several other notable differences: + + * The Barnes-Hut implementation only works when the target dimensionality is 3 + or less. The 2D case is typical when building visualizations. + * Barnes-Hut only works with dense input data. Sparse data matrices can only be + embedded with the exact method or can be approximated by a dense low rank + projection for instance using :class:`~sklearn.decomposition.PCA` + * Barnes-Hut is an approximation of the exact method. The approximation is + parameterized with the angle parameter, therefore the angle parameter is + unused when method="exact" + * Barnes-Hut is significantly more scalable. Barnes-Hut can be used to embed + hundred of thousands of data points while the exact method can handle + thousands of samples before becoming computationally intractable + + For visualization purpose (which is the main use case of t-SNE), using the + Barnes-Hut method is strongly recommended. The exact t-SNE method is useful + for checking the theoretically properties of the embedding possibly in higher + dimensional space but limit to small datasets due to computational constraints. + + Also note that the digits labels roughly match the natural grouping found by + t-SNE while the linear 2D projection of the PCA model yields a representation + where label regions largely overlap. This is a strong clue that this data can + be well separated by non linear methods that focus on the local structure (e.g. + an SVM with a Gaussian RBF kernel). However, failing to visualize well + separated homogeneously labeled groups with t-SNE in 2D does not necessarily + imply that the data cannot be correctly classified by a supervised model. It + might be the case that 2 dimensions are not high enough to accurately represent + the internal structure of the data. + +.. rubric:: References + +* `"Visualizing High-Dimensional Data Using t-SNE" + `_ + van der Maaten, L.J.P.; Hinton, G. Journal of Machine Learning Research (2008) + +* `"t-Distributed Stochastic Neighbor Embedding" + `_ van der Maaten, L.J.P. + +* `"Accelerating t-SNE using Tree-Based Algorithms" + `_ + van der Maaten, L.J.P.; Journal of Machine Learning Research 15(Oct):3221-3245, 2014. + +* `"Automated optimized parameters for T-distributed stochastic neighbor + embedding improve visualization and analysis of large datasets" + `_ + Belkina, A.C., Ciccolella, C.O., Anno, R., Halpert, R., Spidlen, J., + Snyder-Cappione, J.E., Nature Communications 10, 5415 (2019). Tips on practical use ===================== diff --git a/doc/modules/metrics.rst b/doc/modules/metrics.rst index caea39319e869..63ea797223c22 100644 --- a/doc/modules/metrics.rst +++ b/doc/modules/metrics.rst @@ -87,11 +87,11 @@ represented as tf-idf vectors. can produce normalized vectors, in which case :func:`cosine_similarity` is equivalent to :func:`linear_kernel`, only slower.) -.. topic:: References: +.. rubric:: References - * C.D. Manning, P. Raghavan and H. Schütze (2008). Introduction to - Information Retrieval. Cambridge University Press. - https://nlp.stanford.edu/IR-book/html/htmledition/the-vector-space-model-for-scoring-1.html +* C.D. Manning, P. Raghavan and H. Schütze (2008). Introduction to + Information Retrieval. Cambridge University Press. + https://nlp.stanford.edu/IR-book/html/htmledition/the-vector-space-model-for-scoring-1.html .. _linear_kernel: @@ -222,10 +222,10 @@ which is a distance between discrete probability distributions. The chi squared kernel is most commonly used on histograms (bags) of visual words. -.. topic:: References: +.. rubric:: References - * Zhang, J. and Marszalek, M. and Lazebnik, S. and Schmid, C. - Local features and kernels for classification of texture and object - categories: A comprehensive study - International Journal of Computer Vision 2007 - https://hal.archives-ouvertes.fr/hal-00171412/document +* Zhang, J. and Marszalek, M. and Lazebnik, S. and Schmid, C. + Local features and kernels for classification of texture and object + categories: A comprehensive study + International Journal of Computer Vision 2007 + https://hal.archives-ouvertes.fr/hal-00171412/document diff --git a/doc/modules/mixture.rst b/doc/modules/mixture.rst index df5d8020a1369..1fd72c3158336 100644 --- a/doc/modules/mixture.rst +++ b/doc/modules/mixture.rst @@ -60,128 +60,111 @@ full covariance. :align: center :scale: 75% -.. topic:: Examples: +.. rubric:: Examples - * See :ref:`sphx_glr_auto_examples_mixture_plot_gmm_covariances.py` for an example of - using the Gaussian mixture as clustering on the iris dataset. +* See :ref:`sphx_glr_auto_examples_mixture_plot_gmm_covariances.py` for an example of + using the Gaussian mixture as clustering on the iris dataset. - * See :ref:`sphx_glr_auto_examples_mixture_plot_gmm_pdf.py` for an example on plotting the - density estimation. +* See :ref:`sphx_glr_auto_examples_mixture_plot_gmm_pdf.py` for an example on plotting the + density estimation. -|details-start| -**Pros and cons of class GaussianMixture** -|details-split| +.. dropdown:: Pros and cons of class GaussianMixture -.. topic:: Pros: + .. rubric:: Pros - :Speed: It is the fastest algorithm for learning mixture models + :Speed: It is the fastest algorithm for learning mixture models - :Agnostic: As this algorithm maximizes only the likelihood, it - will not bias the means towards zero, or bias the cluster sizes to - have specific structures that might or might not apply. + :Agnostic: As this algorithm maximizes only the likelihood, it + will not bias the means towards zero, or bias the cluster sizes to + have specific structures that might or might not apply. -.. topic:: Cons: + .. rubric:: Cons - :Singularities: When one has insufficiently many points per - mixture, estimating the covariance matrices becomes difficult, - and the algorithm is known to diverge and find solutions with - infinite likelihood unless one regularizes the covariances artificially. + :Singularities: When one has insufficiently many points per + mixture, estimating the covariance matrices becomes difficult, + and the algorithm is known to diverge and find solutions with + infinite likelihood unless one regularizes the covariances artificially. - :Number of components: This algorithm will always use all the - components it has access to, needing held-out data - or information theoretical criteria to decide how many components to use - in the absence of external cues. + :Number of components: This algorithm will always use all the + components it has access to, needing held-out data + or information theoretical criteria to decide how many components to use + in the absence of external cues. -|details-end| +.. dropdown:: Selecting the number of components in a classical Gaussian Mixture model + The BIC criterion can be used to select the number of components in a Gaussian + Mixture in an efficient way. In theory, it recovers the true number of + components only in the asymptotic regime (i.e. if much data is available and + assuming that the data was actually generated i.i.d. from a mixture of Gaussian + distribution). Note that using a :ref:`Variational Bayesian Gaussian mixture ` + avoids the specification of the number of components for a Gaussian mixture + model. -|details-start| -**Selecting the number of components in a classical Gaussian Mixture model** -|details-split| + .. figure:: ../auto_examples/mixture/images/sphx_glr_plot_gmm_selection_002.png + :target: ../auto_examples/mixture/plot_gmm_selection.html + :align: center + :scale: 50% -The BIC criterion can be used to select the number of components in a Gaussian -Mixture in an efficient way. In theory, it recovers the true number of -components only in the asymptotic regime (i.e. if much data is available and -assuming that the data was actually generated i.i.d. from a mixture of Gaussian -distribution). Note that using a :ref:`Variational Bayesian Gaussian mixture ` -avoids the specification of the number of components for a Gaussian mixture -model. + .. rubric:: Examples -.. figure:: ../auto_examples/mixture/images/sphx_glr_plot_gmm_selection_002.png - :target: ../auto_examples/mixture/plot_gmm_selection.html - :align: center - :scale: 50% - -.. topic:: Examples: - - * See :ref:`sphx_glr_auto_examples_mixture_plot_gmm_selection.py` for an example - of model selection performed with classical Gaussian mixture. - -|details-end| + * See :ref:`sphx_glr_auto_examples_mixture_plot_gmm_selection.py` for an example + of model selection performed with classical Gaussian mixture. .. _expectation_maximization: -|details-start| -**Estimation algorithm expectation-maximization** -|details-split| - -The main difficulty in learning Gaussian mixture models from unlabeled -data is that one usually doesn't know which points came from -which latent component (if one has access to this information it gets -very easy to fit a separate Gaussian distribution to each set of -points). `Expectation-maximization -`_ -is a well-founded statistical -algorithm to get around this problem by an iterative process. First -one assumes random components (randomly centered on data points, -learned from k-means, or even just normally distributed around the -origin) and computes for each point a probability of being generated by -each component of the model. Then, one tweaks the -parameters to maximize the likelihood of the data given those -assignments. Repeating this process is guaranteed to always converge -to a local optimum. - -|details-end| - -|details-start| -**Choice of the Initialization method** -|details-split| - -There is a choice of four initialization methods (as well as inputting user defined -initial means) to generate the initial centers for the model components: - -k-means (default) - This applies a traditional k-means clustering algorithm. - This can be computationally expensive compared to other initialization methods. - -k-means++ - This uses the initialization method of k-means clustering: k-means++. - This will pick the first center at random from the data. Subsequent centers will be - chosen from a weighted distribution of the data favouring points further away from - existing centers. k-means++ is the default initialization for k-means so will be - quicker than running a full k-means but can still take a significant amount of - time for large data sets with many components. - -random_from_data - This will pick random data points from the input data as the initial - centers. This is a very fast method of initialization but can produce non-convergent - results if the chosen points are too close to each other. - -random - Centers are chosen as a small perturbation away from the mean of all data. - This method is simple but can lead to the model taking longer to converge. - -.. figure:: ../auto_examples/mixture/images/sphx_glr_plot_gmm_init_001.png - :target: ../auto_examples/mixture/plot_gmm_init.html - :align: center - :scale: 50% - -.. topic:: Examples: - - * See :ref:`sphx_glr_auto_examples_mixture_plot_gmm_init.py` for an example of - using different initializations in Gaussian Mixture. - -|details-end| +.. dropdown:: Estimation algorithm expectation-maximization + + The main difficulty in learning Gaussian mixture models from unlabeled + data is that one usually doesn't know which points came from + which latent component (if one has access to this information it gets + very easy to fit a separate Gaussian distribution to each set of + points). `Expectation-maximization + `_ + is a well-founded statistical + algorithm to get around this problem by an iterative process. First + one assumes random components (randomly centered on data points, + learned from k-means, or even just normally distributed around the + origin) and computes for each point a probability of being generated by + each component of the model. Then, one tweaks the + parameters to maximize the likelihood of the data given those + assignments. Repeating this process is guaranteed to always converge + to a local optimum. + +.. dropdown:: Choice of the Initialization method + + There is a choice of four initialization methods (as well as inputting user defined + initial means) to generate the initial centers for the model components: + + k-means (default) + This applies a traditional k-means clustering algorithm. + This can be computationally expensive compared to other initialization methods. + + k-means++ + This uses the initialization method of k-means clustering: k-means++. + This will pick the first center at random from the data. Subsequent centers will be + chosen from a weighted distribution of the data favouring points further away from + existing centers. k-means++ is the default initialization for k-means so will be + quicker than running a full k-means but can still take a significant amount of + time for large data sets with many components. + + random_from_data + This will pick random data points from the input data as the initial + centers. This is a very fast method of initialization but can produce non-convergent + results if the chosen points are too close to each other. + + random + Centers are chosen as a small perturbation away from the mean of all data. + This method is simple but can lead to the model taking longer to converge. + + .. figure:: ../auto_examples/mixture/images/sphx_glr_plot_gmm_init_001.png + :target: ../auto_examples/mixture/plot_gmm_init.html + :align: center + :scale: 50% + + .. rubric:: Examples + + * See :ref:`sphx_glr_auto_examples_mixture_plot_gmm_init.py` for an example of + using different initializations in Gaussian Mixture. .. _bgmm: @@ -276,63 +259,58 @@ from the two resulting mixtures. -.. topic:: Examples: - - * See :ref:`sphx_glr_auto_examples_mixture_plot_gmm.py` for an example on - plotting the confidence ellipsoids for both :class:`GaussianMixture` - and :class:`BayesianGaussianMixture`. - - * :ref:`sphx_glr_auto_examples_mixture_plot_gmm_sin.py` shows using - :class:`GaussianMixture` and :class:`BayesianGaussianMixture` to fit a - sine wave. +.. rubric:: Examples - * See :ref:`sphx_glr_auto_examples_mixture_plot_concentration_prior.py` - for an example plotting the confidence ellipsoids for the - :class:`BayesianGaussianMixture` with different - ``weight_concentration_prior_type`` for different values of the parameter - ``weight_concentration_prior``. +* See :ref:`sphx_glr_auto_examples_mixture_plot_gmm.py` for an example on + plotting the confidence ellipsoids for both :class:`GaussianMixture` + and :class:`BayesianGaussianMixture`. -|details-start| -**Pros and cons of variational inference with BayesianGaussianMixture** -|details-split| +* :ref:`sphx_glr_auto_examples_mixture_plot_gmm_sin.py` shows using + :class:`GaussianMixture` and :class:`BayesianGaussianMixture` to fit a + sine wave. -.. topic:: Pros: +* See :ref:`sphx_glr_auto_examples_mixture_plot_concentration_prior.py` + for an example plotting the confidence ellipsoids for the + :class:`BayesianGaussianMixture` with different + ``weight_concentration_prior_type`` for different values of the parameter + ``weight_concentration_prior``. - :Automatic selection: when ``weight_concentration_prior`` is small enough and - ``n_components`` is larger than what is found necessary by the model, the - Variational Bayesian mixture model has a natural tendency to set some mixture - weights values close to zero. This makes it possible to let the model choose - a suitable number of effective components automatically. Only an upper bound - of this number needs to be provided. Note however that the "ideal" number of - active components is very application specific and is typically ill-defined - in a data exploration setting. +.. dropdown:: Pros and cons of variational inference with BayesianGaussianMixture - :Less sensitivity to the number of parameters: unlike finite models, which will - almost always use all components as much as they can, and hence will produce - wildly different solutions for different numbers of components, the - variational inference with a Dirichlet process prior - (``weight_concentration_prior_type='dirichlet_process'``) won't change much - with changes to the parameters, leading to more stability and less tuning. + .. rubric:: Pros - :Regularization: due to the incorporation of prior information, - variational solutions have less pathological special cases than - expectation-maximization solutions. + :Automatic selection: when ``weight_concentration_prior`` is small enough and + ``n_components`` is larger than what is found necessary by the model, the + Variational Bayesian mixture model has a natural tendency to set some mixture + weights values close to zero. This makes it possible to let the model choose + a suitable number of effective components automatically. Only an upper bound + of this number needs to be provided. Note however that the "ideal" number of + active components is very application specific and is typically ill-defined + in a data exploration setting. + :Less sensitivity to the number of parameters: unlike finite models, which will + almost always use all components as much as they can, and hence will produce + wildly different solutions for different numbers of components, the + variational inference with a Dirichlet process prior + (``weight_concentration_prior_type='dirichlet_process'``) won't change much + with changes to the parameters, leading to more stability and less tuning. -.. topic:: Cons: + :Regularization: due to the incorporation of prior information, + variational solutions have less pathological special cases than + expectation-maximization solutions. - :Speed: the extra parametrization necessary for variational inference makes - inference slower, although not by much. + .. rubric:: Cons - :Hyperparameters: this algorithm needs an extra hyperparameter - that might need experimental tuning via cross-validation. + :Speed: the extra parametrization necessary for variational inference makes + inference slower, although not by much. - :Bias: there are many implicit biases in the inference algorithms (and also in - the Dirichlet process if used), and whenever there is a mismatch between - these biases and the data it might be possible to fit better models using a - finite mixture. + :Hyperparameters: this algorithm needs an extra hyperparameter + that might need experimental tuning via cross-validation. -|details-end| + :Bias: there are many implicit biases in the inference algorithms (and also in + the Dirichlet process if used), and whenever there is a mismatch between + these biases and the data it might be possible to fit better models using a + finite mixture. .. _dirichlet_process: diff --git a/doc/modules/model_evaluation.rst b/doc/modules/model_evaluation.rst index 59f014b732e35..81615b4419bba 100644 --- a/doc/modules/model_evaluation.rst +++ b/doc/modules/model_evaluation.rst @@ -77,6 +77,7 @@ Scoring Function 'roc_auc_ovo' :func:`metrics.roc_auc_score` 'roc_auc_ovr_weighted' :func:`metrics.roc_auc_score` 'roc_auc_ovo_weighted' :func:`metrics.roc_auc_score` +'d2_log_loss_score' :func:`metrics.d2_log_loss_score` **Clustering** 'adjusted_mutual_info_score' :func:`metrics.adjusted_mutual_info_score` @@ -171,58 +172,53 @@ measuring a prediction error given ground truth and prediction: parameter description below). -|details-start| -**Custom scorer objects** -|details-split| - - -The second use case is to build a completely custom scorer object -from a simple python function using :func:`make_scorer`, which can -take several parameters: - -* the python function you want to use (``my_custom_loss_func`` - in the example below) - -* whether the python function returns a score (``greater_is_better=True``, - the default) or a loss (``greater_is_better=False``). If a loss, the output - of the python function is negated by the scorer object, conforming to - the cross validation convention that scorers return higher values for better models. - -* for classification metrics only: whether the python function you provided requires - continuous decision certainties. If the scoring function only accepts probability - estimates (e.g. :func:`metrics.log_loss`) then one needs to set the parameter - `response_method`, thus in this case `response_method="predict_proba"`. Some scoring - function do not necessarily require probability estimates but rather non-thresholded - decision values (e.g. :func:`metrics.roc_auc_score`). In this case, one provides a - list such as `response_method=["decision_function", "predict_proba"]`. In this case, - the scorer will use the first available method, in the order given in the list, - to compute the scores. - -* any additional parameters, such as ``beta`` or ``labels`` in :func:`f1_score`. - -Here is an example of building custom scorers, and of using the -``greater_is_better`` parameter:: - - >>> import numpy as np - >>> def my_custom_loss_func(y_true, y_pred): - ... diff = np.abs(y_true - y_pred).max() - ... return np.log1p(diff) - ... - >>> # score will negate the return value of my_custom_loss_func, - >>> # which will be np.log(2), 0.693, given the values for X - >>> # and y defined below. - >>> score = make_scorer(my_custom_loss_func, greater_is_better=False) - >>> X = [[1], [1]] - >>> y = [0, 1] - >>> from sklearn.dummy import DummyClassifier - >>> clf = DummyClassifier(strategy='most_frequent', random_state=0) - >>> clf = clf.fit(X, y) - >>> my_custom_loss_func(y, clf.predict(X)) - 0.69... - >>> score(clf, X, y) - -0.69... - -|details-end| +.. dropdown:: Custom scorer objects + + The second use case is to build a completely custom scorer object + from a simple python function using :func:`make_scorer`, which can + take several parameters: + + * the python function you want to use (``my_custom_loss_func`` + in the example below) + + * whether the python function returns a score (``greater_is_better=True``, + the default) or a loss (``greater_is_better=False``). If a loss, the output + of the python function is negated by the scorer object, conforming to + the cross validation convention that scorers return higher values for better models. + + * for classification metrics only: whether the python function you provided requires + continuous decision certainties. If the scoring function only accepts probability + estimates (e.g. :func:`metrics.log_loss`) then one needs to set the parameter + `response_method`, thus in this case `response_method="predict_proba"`. Some scoring + function do not necessarily require probability estimates but rather non-thresholded + decision values (e.g. :func:`metrics.roc_auc_score`). In this case, one provides a + list such as `response_method=["decision_function", "predict_proba"]`. In this case, + the scorer will use the first available method, in the order given in the list, + to compute the scores. + + * any additional parameters, such as ``beta`` or ``labels`` in :func:`f1_score`. + + Here is an example of building custom scorers, and of using the + ``greater_is_better`` parameter:: + + >>> import numpy as np + >>> def my_custom_loss_func(y_true, y_pred): + ... diff = np.abs(y_true - y_pred).max() + ... return np.log1p(diff) + ... + >>> # score will negate the return value of my_custom_loss_func, + >>> # which will be np.log(2), 0.693, given the values for X + >>> # and y defined below. + >>> score = make_scorer(my_custom_loss_func, greater_is_better=False) + >>> X = [[1], [1]] + >>> y = [0, 1] + >>> from sklearn.dummy import DummyClassifier + >>> clf = DummyClassifier(strategy='most_frequent', random_state=0) + >>> clf = clf.fit(X, y) + >>> my_custom_loss_func(y, clf.predict(X)) + 0.69... + >>> score(clf, X, y) + -0.69... .. _diy_scoring: @@ -233,51 +229,47 @@ You can generate even more flexible model scorers by constructing your own scoring object from scratch, without using the :func:`make_scorer` factory. -|details-start| -**How to build a scorer from scratch** -|details-split| +.. dropdown:: How to build a scorer from scratch -For a callable to be a scorer, it needs to meet the protocol specified by -the following two rules: + For a callable to be a scorer, it needs to meet the protocol specified by + the following two rules: -- It can be called with parameters ``(estimator, X, y)``, where ``estimator`` - is the model that should be evaluated, ``X`` is validation data, and ``y`` is - the ground truth target for ``X`` (in the supervised case) or ``None`` (in the - unsupervised case). + - It can be called with parameters ``(estimator, X, y)``, where ``estimator`` + is the model that should be evaluated, ``X`` is validation data, and ``y`` is + the ground truth target for ``X`` (in the supervised case) or ``None`` (in the + unsupervised case). -- It returns a floating point number that quantifies the - ``estimator`` prediction quality on ``X``, with reference to ``y``. - Again, by convention higher numbers are better, so if your scorer - returns loss, that value should be negated. + - It returns a floating point number that quantifies the + ``estimator`` prediction quality on ``X``, with reference to ``y``. + Again, by convention higher numbers are better, so if your scorer + returns loss, that value should be negated. -- Advanced: If it requires extra metadata to be passed to it, it should expose - a ``get_metadata_routing`` method returning the requested metadata. The user - should be able to set the requested metadata via a ``set_score_request`` - method. Please see :ref:`User Guide ` and :ref:`Developer - Guide ` for - more details. + - Advanced: If it requires extra metadata to be passed to it, it should expose + a ``get_metadata_routing`` method returning the requested metadata. The user + should be able to set the requested metadata via a ``set_score_request`` + method. Please see :ref:`User Guide ` and :ref:`Developer + Guide ` for + more details. -.. note:: **Using custom scorers in functions where n_jobs > 1** + .. note:: **Using custom scorers in functions where n_jobs > 1** - While defining the custom scoring function alongside the calling function - should work out of the box with the default joblib backend (loky), - importing it from another module will be a more robust approach and work - independently of the joblib backend. + While defining the custom scoring function alongside the calling function + should work out of the box with the default joblib backend (loky), + importing it from another module will be a more robust approach and work + independently of the joblib backend. - For example, to use ``n_jobs`` greater than 1 in the example below, - ``custom_scoring_function`` function is saved in a user-created module - (``custom_scorer_module.py``) and imported:: + For example, to use ``n_jobs`` greater than 1 in the example below, + ``custom_scoring_function`` function is saved in a user-created module + (``custom_scorer_module.py``) and imported:: - >>> from custom_scorer_module import custom_scoring_function # doctest: +SKIP - >>> cross_val_score(model, - ... X_train, - ... y_train, - ... scoring=make_scorer(custom_scoring_function, greater_is_better=False), - ... cv=5, - ... n_jobs=-1) # doctest: +SKIP - -|details-end| + >>> from custom_scorer_module import custom_scoring_function # doctest: +SKIP + >>> cross_val_score(model, + ... X_train, + ... y_train, + ... scoring=make_scorer(custom_scoring_function, greater_is_better=False), + ... cv=5, + ... n_jobs=-1) # doctest: +SKIP .. _multimetric_scoring: @@ -377,6 +369,7 @@ Some also work in the multilabel case: recall_score roc_auc_score zero_one_loss + d2_log_loss_score And some work with binary and multilabel (but not multiclass) problems: @@ -472,11 +465,11 @@ In the multilabel case with binary label indicators:: >>> accuracy_score(np.array([[0, 1], [1, 1]]), np.ones((2, 2))) 0.5 -.. topic:: Example: +.. rubric:: Examples - * See :ref:`sphx_glr_auto_examples_model_selection_plot_permutation_tests_for_classification.py` - for an example of accuracy score usage using permutations of - the dataset. +* See :ref:`sphx_glr_auto_examples_model_selection_plot_permutation_tests_for_classification.py` + for an example of accuracy score usage using permutations of + the dataset. .. _top_k_accuracy_score: @@ -587,22 +580,20 @@ or *informedness*. * Balanced Accuracy as described in [Urbanowicz2015]_: the average of sensitivity and specificity is computed for each class and then averaged over total number of classes. -.. topic:: References: - - .. [Guyon2015] I. Guyon, K. Bennett, G. Cawley, H.J. Escalante, S. Escalera, T.K. Ho, N. Macià, - B. Ray, M. Saeed, A.R. Statnikov, E. Viegas, `Design of the 2015 ChaLearn AutoML Challenge - `_, - IJCNN 2015. - .. [Mosley2013] L. Mosley, `A balanced approach to the multi-class imbalance problem - `_, - IJCV 2010. - .. [Kelleher2015] John. D. Kelleher, Brian Mac Namee, Aoife D'Arcy, `Fundamentals of - Machine Learning for Predictive Data Analytics: Algorithms, Worked Examples, - and Case Studies `_, - 2015. - .. [Urbanowicz2015] Urbanowicz R.J., Moore, J.H. :doi:`ExSTraCS 2.0: description - and evaluation of a scalable learning classifier - system <10.1007/s12065-015-0128-8>`, Evol. Intel. (2015) 8: 89. +.. rubric:: References + +.. [Guyon2015] I. Guyon, K. Bennett, G. Cawley, H.J. Escalante, S. Escalera, T.K. Ho, N. Macià, + B. Ray, M. Saeed, A.R. Statnikov, E. Viegas, `Design of the 2015 ChaLearn AutoML Challenge + `_, IJCNN 2015. +.. [Mosley2013] L. Mosley, `A balanced approach to the multi-class imbalance problem + `_, IJCV 2010. +.. [Kelleher2015] John. D. Kelleher, Brian Mac Namee, Aoife D'Arcy, `Fundamentals of + Machine Learning for Predictive Data Analytics: Algorithms, Worked Examples, + and Case Studies `_, + 2015. +.. [Urbanowicz2015] Urbanowicz R.J., Moore, J.H. :doi:`ExSTraCS 2.0: description + and evaluation of a scalable learning classifier + system <10.1007/s12065-015-0128-8>`, Evol. Intel. (2015) 8: 89. .. _cohen_kappa: @@ -681,19 +672,19 @@ false negatives and true positives as follows:: >>> tn, fp, fn, tp (2, 1, 2, 3) -.. topic:: Example: +.. rubric:: Examples - * See :ref:`sphx_glr_auto_examples_model_selection_plot_confusion_matrix.py` - for an example of using a confusion matrix to evaluate classifier output - quality. +* See :ref:`sphx_glr_auto_examples_model_selection_plot_confusion_matrix.py` + for an example of using a confusion matrix to evaluate classifier output + quality. - * See :ref:`sphx_glr_auto_examples_classification_plot_digits_classification.py` - for an example of using a confusion matrix to classify - hand-written digits. +* See :ref:`sphx_glr_auto_examples_classification_plot_digits_classification.py` + for an example of using a confusion matrix to classify + hand-written digits. - * See :ref:`sphx_glr_auto_examples_text_plot_document_classification_20newsgroups.py` - for an example of using a confusion matrix to classify text - documents. +* See :ref:`sphx_glr_auto_examples_text_plot_document_classification_20newsgroups.py` + for an example of using a confusion matrix to classify text + documents. .. _classification_report: @@ -720,15 +711,15 @@ and inferred labels:: weighted avg 0.67 0.60 0.59 5 -.. topic:: Example: +.. rubric:: Examples - * See :ref:`sphx_glr_auto_examples_classification_plot_digits_classification.py` - for an example of classification report usage for - hand-written digits. +* See :ref:`sphx_glr_auto_examples_classification_plot_digits_classification.py` + for an example of classification report usage for + hand-written digits. - * See :ref:`sphx_glr_auto_examples_model_selection_plot_grid_search_digits.py` - for an example of classification report usage for - grid search with nested cross-validation. +* See :ref:`sphx_glr_auto_examples_model_selection_plot_grid_search_digits.py` + for an example of classification report usage for + grid search with nested cross-validation. .. _hamming_loss: @@ -846,31 +837,31 @@ precision-recall curve as follows. :scale: 75 :align: center -.. topic:: Examples: +.. rubric:: Examples - * See :ref:`sphx_glr_auto_examples_model_selection_plot_grid_search_digits.py` - for an example of :func:`precision_score` and :func:`recall_score` usage - to estimate parameters using grid search with nested cross-validation. +* See :ref:`sphx_glr_auto_examples_model_selection_plot_grid_search_digits.py` + for an example of :func:`precision_score` and :func:`recall_score` usage + to estimate parameters using grid search with nested cross-validation. - * See :ref:`sphx_glr_auto_examples_model_selection_plot_precision_recall.py` - for an example of :func:`precision_recall_curve` usage to evaluate - classifier output quality. +* See :ref:`sphx_glr_auto_examples_model_selection_plot_precision_recall.py` + for an example of :func:`precision_recall_curve` usage to evaluate + classifier output quality. -.. topic:: References: +.. rubric:: References - .. [Manning2008] C.D. Manning, P. Raghavan, H. Schütze, `Introduction to Information Retrieval - `_, - 2008. - .. [Everingham2010] M. Everingham, L. Van Gool, C.K.I. Williams, J. Winn, A. Zisserman, - `The Pascal Visual Object Classes (VOC) Challenge - `_, - IJCV 2010. - .. [Davis2006] J. Davis, M. Goadrich, `The Relationship Between Precision-Recall and ROC Curves - `_, - ICML 2006. - .. [Flach2015] P.A. Flach, M. Kull, `Precision-Recall-Gain Curves: PR Analysis Done Right - `_, - NIPS 2015. +.. [Manning2008] C.D. Manning, P. Raghavan, H. Schütze, `Introduction to Information Retrieval + `_, + 2008. +.. [Everingham2010] M. Everingham, L. Van Gool, C.K.I. Williams, J. Winn, A. Zisserman, + `The Pascal Visual Object Classes (VOC) Challenge + `_, + IJCV 2010. +.. [Davis2006] J. Davis, M. Goadrich, `The Relationship Between Precision-Recall and ROC Curves + `_, + ICML 2006. +.. [Flach2015] P.A. Flach, M. Kull, `Precision-Recall-Gain Curves: PR Analysis Done Right + `_, + NIPS 2015. Binary classification ^^^^^^^^^^^^^^^^^^^^^ @@ -1039,10 +1030,10 @@ Similarly, labels not present in the data sample may be accounted for in macro-a >>> metrics.precision_score(y_true, y_pred, labels=[0, 1, 2, 3], average='macro') 0.166... -.. topic:: References: +.. rubric:: References - .. [OB2019] :arxiv:`Opitz, J., & Burst, S. (2019). "Macro f1 and macro f1." - <1911.03347>` +.. [OB2019] :arxiv:`Opitz, J., & Burst, S. (2019). "Macro f1 and macro f1." + <1911.03347>` .. _jaccard_similarity_score: @@ -1494,65 +1485,57 @@ correspond to the probability estimates that a sample belongs to a particular class. The OvO and OvR algorithms support weighting uniformly (``average='macro'``) and by prevalence (``average='weighted'``). -|details-start| -**One-vs-one Algorithm** -|details-split| - -Computes the average AUC of all possible pairwise -combinations of classes. [HT2001]_ defines a multiclass AUC metric weighted -uniformly: - -.. math:: +.. dropdown:: One-vs-one Algorithm - \frac{1}{c(c-1)}\sum_{j=1}^{c}\sum_{k > j}^c (\text{AUC}(j | k) + - \text{AUC}(k | j)) + Computes the average AUC of all possible pairwise + combinations of classes. [HT2001]_ defines a multiclass AUC metric weighted + uniformly: -where :math:`c` is the number of classes and :math:`\text{AUC}(j | k)` is the -AUC with class :math:`j` as the positive class and class :math:`k` as the -negative class. In general, -:math:`\text{AUC}(j | k) \neq \text{AUC}(k | j))` in the multiclass -case. This algorithm is used by setting the keyword argument ``multiclass`` -to ``'ovo'`` and ``average`` to ``'macro'``. + .. math:: -The [HT2001]_ multiclass AUC metric can be extended to be weighted by the -prevalence: + \frac{1}{c(c-1)}\sum_{j=1}^{c}\sum_{k > j}^c (\text{AUC}(j | k) + + \text{AUC}(k | j)) -.. math:: + where :math:`c` is the number of classes and :math:`\text{AUC}(j | k)` is the + AUC with class :math:`j` as the positive class and class :math:`k` as the + negative class. In general, + :math:`\text{AUC}(j | k) \neq \text{AUC}(k | j))` in the multiclass + case. This algorithm is used by setting the keyword argument ``multiclass`` + to ``'ovo'`` and ``average`` to ``'macro'``. - \frac{1}{c(c-1)}\sum_{j=1}^{c}\sum_{k > j}^c p(j \cup k)( - \text{AUC}(j | k) + \text{AUC}(k | j)) + The [HT2001]_ multiclass AUC metric can be extended to be weighted by the + prevalence: -where :math:`c` is the number of classes. This algorithm is used by setting -the keyword argument ``multiclass`` to ``'ovo'`` and ``average`` to -``'weighted'``. The ``'weighted'`` option returns a prevalence-weighted average -as described in [FC2009]_. + .. math:: -|details-end| + \frac{1}{c(c-1)}\sum_{j=1}^{c}\sum_{k > j}^c p(j \cup k)( + \text{AUC}(j | k) + \text{AUC}(k | j)) -|details-start| -**One-vs-rest Algorithm** -|details-split| + where :math:`c` is the number of classes. This algorithm is used by setting + the keyword argument ``multiclass`` to ``'ovo'`` and ``average`` to + ``'weighted'``. The ``'weighted'`` option returns a prevalence-weighted average + as described in [FC2009]_. -Computes the AUC of each class against the rest -[PD2000]_. The algorithm is functionally the same as the multilabel case. To -enable this algorithm set the keyword argument ``multiclass`` to ``'ovr'``. -Additionally to ``'macro'`` [F2006]_ and ``'weighted'`` [F2001]_ averaging, OvR -supports ``'micro'`` averaging. +.. dropdown:: One-vs-rest Algorithm -In applications where a high false positive rate is not tolerable the parameter -``max_fpr`` of :func:`roc_auc_score` can be used to summarize the ROC curve up -to the given limit. + Computes the AUC of each class against the rest + [PD2000]_. The algorithm is functionally the same as the multilabel case. To + enable this algorithm set the keyword argument ``multiclass`` to ``'ovr'``. + Additionally to ``'macro'`` [F2006]_ and ``'weighted'`` [F2001]_ averaging, OvR + supports ``'micro'`` averaging. -The following figure shows the micro-averaged ROC curve and its corresponding -ROC-AUC score for a classifier aimed to distinguish the different species in -the :ref:`iris_dataset`: + In applications where a high false positive rate is not tolerable the parameter + ``max_fpr`` of :func:`roc_auc_score` can be used to summarize the ROC curve up + to the given limit. -.. image:: ../auto_examples/model_selection/images/sphx_glr_plot_roc_002.png - :target: ../auto_examples/model_selection/plot_roc.html - :scale: 75 - :align: center + The following figure shows the micro-averaged ROC curve and its corresponding + ROC-AUC score for a classifier aimed to distinguish the different species in + the :ref:`iris_dataset`: -|details-end| + .. image:: ../auto_examples/model_selection/images/sphx_glr_plot_roc_002.png + :target: ../auto_examples/model_selection/plot_roc.html + :scale: 75 + :align: center .. _roc_auc_multilabel: @@ -1582,46 +1565,43 @@ And the decision values do not require such processing. >>> roc_auc_score(y, y_score, average=None) array([0.81..., 0.84... , 0.93..., 0.87..., 0.94...]) -.. topic:: Examples: +.. rubric:: Examples - * See :ref:`sphx_glr_auto_examples_model_selection_plot_roc.py` - for an example of using ROC to - evaluate the quality of the output of a classifier. +* See :ref:`sphx_glr_auto_examples_model_selection_plot_roc.py` for an example of + using ROC to evaluate the quality of the output of a classifier. - * See :ref:`sphx_glr_auto_examples_model_selection_plot_roc_crossval.py` - for an example of using ROC to - evaluate classifier output quality, using cross-validation. +* See :ref:`sphx_glr_auto_examples_model_selection_plot_roc_crossval.py` for an + example of using ROC to evaluate classifier output quality, using cross-validation. - * See :ref:`sphx_glr_auto_examples_applications_plot_species_distribution_modeling.py` - for an example of using ROC to - model species distribution. +* See :ref:`sphx_glr_auto_examples_applications_plot_species_distribution_modeling.py` + for an example of using ROC to model species distribution. -.. topic:: References: +.. rubric:: References - .. [HT2001] Hand, D.J. and Till, R.J., (2001). `A simple generalisation - of the area under the ROC curve for multiple class classification problems. - `_ - Machine learning, 45(2), pp. 171-186. +.. [HT2001] Hand, D.J. and Till, R.J., (2001). `A simple generalisation + of the area under the ROC curve for multiple class classification problems. + `_ + Machine learning, 45(2), pp. 171-186. - .. [FC2009] Ferri, Cèsar & Hernandez-Orallo, Jose & Modroiu, R. (2009). - `An Experimental Comparison of Performance Measures for Classification. - `_ - Pattern Recognition Letters. 30. 27-38. +.. [FC2009] Ferri, Cèsar & Hernandez-Orallo, Jose & Modroiu, R. (2009). + `An Experimental Comparison of Performance Measures for Classification. + `_ + Pattern Recognition Letters. 30. 27-38. - .. [PD2000] Provost, F., Domingos, P. (2000). `Well-trained PETs: Improving - probability estimation trees - `_ - (Section 6.2), CeDER Working Paper #IS-00-04, Stern School of Business, - New York University. +.. [PD2000] Provost, F., Domingos, P. (2000). `Well-trained PETs: Improving + probability estimation trees + `_ + (Section 6.2), CeDER Working Paper #IS-00-04, Stern School of Business, + New York University. - .. [F2006] Fawcett, T., 2006. `An introduction to ROC analysis. - `_ - Pattern Recognition Letters, 27(8), pp. 861-874. +.. [F2006] Fawcett, T., 2006. `An introduction to ROC analysis. + `_ + Pattern Recognition Letters, 27(8), pp. 861-874. - .. [F2001] Fawcett, T., 2001. `Using rule sets to maximize - ROC performance `_ - In Data Mining, 2001. - Proceedings IEEE International Conference, pp. 131-138. +.. [F2001] Fawcett, T., 2001. `Using rule sets to maximize + ROC performance `_ + In Data Mining, 2001. + Proceedings IEEE International Conference, pp. 131-138. .. _det_curve: @@ -1657,67 +1637,57 @@ same classification task: :scale: 75 :align: center -.. topic:: Examples: +.. dropdown:: Properties - * See :ref:`sphx_glr_auto_examples_model_selection_plot_det.py` - for an example comparison between receiver operating characteristic (ROC) - curves and Detection error tradeoff (DET) curves. + * DET curves form a linear curve in normal deviate scale if the detection + scores are normally (or close-to normally) distributed. + It was shown by [Navratil2007]_ that the reverse is not necessarily true and + even more general distributions are able to produce linear DET curves. -|details-start| -**Properties** -|details-split| + * The normal deviate scale transformation spreads out the points such that a + comparatively larger space of plot is occupied. + Therefore curves with similar classification performance might be easier to + distinguish on a DET plot. -* DET curves form a linear curve in normal deviate scale if the detection - scores are normally (or close-to normally) distributed. - It was shown by [Navratil2007]_ that the reverse is not necessarily true and - even more general distributions are able to produce linear DET curves. + * With False Negative Rate being "inverse" to True Positive Rate the point + of perfection for DET curves is the origin (in contrast to the top left + corner for ROC curves). -* The normal deviate scale transformation spreads out the points such that a - comparatively larger space of plot is occupied. - Therefore curves with similar classification performance might be easier to - distinguish on a DET plot. +.. dropdown:: Applications and limitations -* With False Negative Rate being "inverse" to True Positive Rate the point - of perfection for DET curves is the origin (in contrast to the top left - corner for ROC curves). + DET curves are intuitive to read and hence allow quick visual assessment of a + classifier's performance. + Additionally DET curves can be consulted for threshold analysis and operating + point selection. + This is particularly helpful if a comparison of error types is required. -|details-end| + On the other hand DET curves do not provide their metric as a single number. + Therefore for either automated evaluation or comparison to other + classification tasks metrics like the derived area under ROC curve might be + better suited. -|details-start| -**Applications and limitations** -|details-split| +.. rubric:: Examples -DET curves are intuitive to read and hence allow quick visual assessment of a -classifier's performance. -Additionally DET curves can be consulted for threshold analysis and operating -point selection. -This is particularly helpful if a comparison of error types is required. +* See :ref:`sphx_glr_auto_examples_model_selection_plot_det.py` + for an example comparison between receiver operating characteristic (ROC) + curves and Detection error tradeoff (DET) curves. -On the other hand DET curves do not provide their metric as a single number. -Therefore for either automated evaluation or comparison to other -classification tasks metrics like the derived area under ROC curve might be -better suited. +.. rubric:: References -|details-end| +.. [WikipediaDET2017] Wikipedia contributors. Detection error tradeoff. + Wikipedia, The Free Encyclopedia. September 4, 2017, 23:33 UTC. + Available at: https://en.wikipedia.org/w/index.php?title=Detection_error_tradeoff&oldid=798982054. + Accessed February 19, 2018. -.. topic:: References: +.. [Martin1997] A. Martin, G. Doddington, T. Kamm, M. Ordowski, and M. Przybocki, + `The DET Curve in Assessment of Detection Task Performance + `_, NIST 1997. - .. [WikipediaDET2017] Wikipedia contributors. Detection error tradeoff. - Wikipedia, The Free Encyclopedia. September 4, 2017, 23:33 UTC. - Available at: https://en.wikipedia.org/w/index.php?title=Detection_error_tradeoff&oldid=798982054. - Accessed February 19, 2018. - - .. [Martin1997] A. Martin, G. Doddington, T. Kamm, M. Ordowski, and M. Przybocki, - `The DET Curve in Assessment of Detection Task Performance - `_, - NIST 1997. - - .. [Navratil2007] J. Navractil and D. Klusacek, - "`On Linear DETs, - `_" - 2007 IEEE International Conference on Acoustics, - Speech and Signal Processing - ICASSP '07, Honolulu, - HI, 2007, pp. IV-229-IV-232. +.. [Navratil2007] J. Navractil and D. Klusacek, + `"On Linear DETs" `_, + 2007 IEEE International Conference on Acoustics, + Speech and Signal Processing - ICASSP '07, Honolulu, + HI, 2007, pp. IV-229-IV-232. .. _zero_one_loss: @@ -1765,11 +1735,11 @@ set [0,1] has an error:: >>> zero_one_loss(np.array([[0, 1], [1, 1]]), np.ones((2, 2)), normalize=False) 1.0 -.. topic:: Example: +.. rubric:: Examples - * See :ref:`sphx_glr_auto_examples_feature_selection_plot_rfe_with_cross_validation.py` - for an example of zero one loss usage to perform recursive feature - elimination with cross-validation. +* See :ref:`sphx_glr_auto_examples_feature_selection_plot_rfe_with_cross_validation.py` + for an example of zero one loss usage to perform recursive feature + elimination with cross-validation. .. _brier_score_loss: @@ -1825,28 +1795,27 @@ necessarily mean a better calibrated model. "Only when refinement loss remains the same does a lower Brier score loss always mean better calibration" [Bella2012]_, [Flach2008]_. -.. topic:: Example: +.. rubric:: Examples - * See :ref:`sphx_glr_auto_examples_calibration_plot_calibration.py` - for an example of Brier score loss usage to perform probability - calibration of classifiers. +* See :ref:`sphx_glr_auto_examples_calibration_plot_calibration.py` + for an example of Brier score loss usage to perform probability + calibration of classifiers. -.. topic:: References: +.. rubric:: References - .. [Brier1950] G. Brier, `Verification of forecasts expressed in terms of - probability - `_, - Monthly weather review 78.1 (1950) +.. [Brier1950] G. Brier, `Verification of forecasts expressed in terms of probability + `_, + Monthly weather review 78.1 (1950) - .. [Bella2012] Bella, Ferri, Hernández-Orallo, and Ramírez-Quintana - `"Calibration of Machine Learning Models" - `_ - in Khosrow-Pour, M. "Machine learning: concepts, methodologies, tools - and applications." Hershey, PA: Information Science Reference (2012). +.. [Bella2012] Bella, Ferri, Hernández-Orallo, and Ramírez-Quintana + `"Calibration of Machine Learning Models" + `_ + in Khosrow-Pour, M. "Machine learning: concepts, methodologies, tools + and applications." Hershey, PA: Information Science Reference (2012). - .. [Flach2008] Flach, Peter, and Edson Matsubara. `"On classification, ranking, - and probability estimation." `_ - Dagstuhl Seminar Proceedings. Schloss Dagstuhl-Leibniz-Zentrum fr Informatik (2008). +.. [Flach2008] Flach, Peter, and Edson Matsubara. `"On classification, ranking, + and probability estimation." `_ + Dagstuhl Seminar Proceedings. Schloss Dagstuhl-Leibniz-Zentrum fr Informatik (2008). .. _class_likelihood_ratios: @@ -1899,82 +1868,72 @@ counts ``tp`` (see `the wikipedia page `_ for the actual formulas). -.. topic:: Examples: - - * :ref:`sphx_glr_auto_examples_model_selection_plot_likelihood_ratios.py` - -|details-start| -**Interpretation across varying prevalence** -|details-split| +.. rubric:: Examples -Both class likelihood ratios are interpretable in terms of an odds ratio -(pre-test and post-tests): +* :ref:`sphx_glr_auto_examples_model_selection_plot_likelihood_ratios.py` -.. math:: +.. dropdown:: Interpretation across varying prevalence - \text{post-test odds} = \text{Likelihood ratio} \times \text{pre-test odds}. + Both class likelihood ratios are interpretable in terms of an odds ratio + (pre-test and post-tests): -Odds are in general related to probabilities via + .. math:: -.. math:: + \text{post-test odds} = \text{Likelihood ratio} \times \text{pre-test odds}. - \text{odds} = \frac{\text{probability}}{1 - \text{probability}}, + Odds are in general related to probabilities via -or equivalently + .. math:: -.. math:: + \text{odds} = \frac{\text{probability}}{1 - \text{probability}}, - \text{probability} = \frac{\text{odds}}{1 + \text{odds}}. + or equivalently -On a given population, the pre-test probability is given by the prevalence. By -converting odds to probabilities, the likelihood ratios can be translated into a -probability of truly belonging to either class before and after a classifier -prediction: + .. math:: -.. math:: + \text{probability} = \frac{\text{odds}}{1 + \text{odds}}. - \text{post-test odds} = \text{Likelihood ratio} \times - \frac{\text{pre-test probability}}{1 - \text{pre-test probability}}, + On a given population, the pre-test probability is given by the prevalence. By + converting odds to probabilities, the likelihood ratios can be translated into a + probability of truly belonging to either class before and after a classifier + prediction: -.. math:: + .. math:: - \text{post-test probability} = \frac{\text{post-test odds}}{1 + \text{post-test odds}}. + \text{post-test odds} = \text{Likelihood ratio} \times + \frac{\text{pre-test probability}}{1 - \text{pre-test probability}}, -|details-end| + .. math:: -|details-start| -**Mathematical divergences** -|details-split| + \text{post-test probability} = \frac{\text{post-test odds}}{1 + \text{post-test odds}}. -The positive likelihood ratio is undefined when :math:`fp = 0`, which can be -interpreted as the classifier perfectly identifying positive cases. If :math:`fp -= 0` and additionally :math:`tp = 0`, this leads to a zero/zero division. This -happens, for instance, when using a `DummyClassifier` that always predicts the -negative class and therefore the interpretation as a perfect classifier is lost. +.. dropdown:: Mathematical divergences -The negative likelihood ratio is undefined when :math:`tn = 0`. Such divergence -is invalid, as :math:`LR_- > 1` would indicate an increase in the odds of a -sample belonging to the positive class after being classified as negative, as if -the act of classifying caused the positive condition. This includes the case of -a `DummyClassifier` that always predicts the positive class (i.e. when -:math:`tn=fn=0`). + The positive likelihood ratio is undefined when :math:`fp = 0`, which can be + interpreted as the classifier perfectly identifying positive cases. If :math:`fp + = 0` and additionally :math:`tp = 0`, this leads to a zero/zero division. This + happens, for instance, when using a `DummyClassifier` that always predicts the + negative class and therefore the interpretation as a perfect classifier is lost. -Both class likelihood ratios are undefined when :math:`tp=fn=0`, which means -that no samples of the positive class were present in the testing set. This can -also happen when cross-validating highly imbalanced data. + The negative likelihood ratio is undefined when :math:`tn = 0`. Such divergence + is invalid, as :math:`LR_- > 1` would indicate an increase in the odds of a + sample belonging to the positive class after being classified as negative, as if + the act of classifying caused the positive condition. This includes the case of + a `DummyClassifier` that always predicts the positive class (i.e. when + :math:`tn=fn=0`). -In all the previous cases the :func:`class_likelihood_ratios` function raises by -default an appropriate warning message and returns `nan` to avoid pollution when -averaging over cross-validation folds. + Both class likelihood ratios are undefined when :math:`tp=fn=0`, which means + that no samples of the positive class were present in the testing set. This can + also happen when cross-validating highly imbalanced data. -For a worked-out demonstration of the :func:`class_likelihood_ratios` function, -see the example below. + In all the previous cases the :func:`class_likelihood_ratios` function raises by + default an appropriate warning message and returns `nan` to avoid pollution when + averaging over cross-validation folds. -|details-end| + For a worked-out demonstration of the :func:`class_likelihood_ratios` function, + see the example below. -|details-start| -**References** -|details-split| +.. dropdown:: References * `Wikipedia entry for Likelihood ratios in diagnostic testing `_ @@ -1984,7 +1943,68 @@ see the example below. values with disease prevalence. Statistics in medicine, 16(9), 981-991. -|details-end| + +.. _d2_score_classification: + +D² score for classification +--------------------------- + +The D² score computes the fraction of deviance explained. +It is a generalization of R², where the squared error is generalized and replaced +by a classification deviance of choice :math:`\text{dev}(y, \hat{y})` +(e.g., Log loss). D² is a form of a *skill score*. +It is calculated as + +.. math:: + + D^2(y, \hat{y}) = 1 - \frac{\text{dev}(y, \hat{y})}{\text{dev}(y, y_{\text{null}})} \,. + +Where :math:`y_{\text{null}}` is the optimal prediction of an intercept-only model +(e.g., the per-class proportion of `y_true` in the case of the Log loss). + +Like R², the best possible score is 1.0 and it can be negative (because the +model can be arbitrarily worse). A constant model that always predicts +:math:`y_{\text{null}}`, disregarding the input features, would get a D² score +of 0.0. + +.. dropdown:: D2 log loss score + + The :func:`d2_log_loss_score` function implements the special case + of D² with the log loss, see :ref:`log_loss`, i.e.: + + .. math:: + + \text{dev}(y, \hat{y}) = \text{log_loss}(y, \hat{y}). + + Here are some usage examples of the :func:`d2_log_loss_score` function:: + + >>> from sklearn.metrics import d2_log_loss_score + >>> y_true = [1, 1, 2, 3] + >>> y_pred = [ + ... [0.5, 0.25, 0.25], + ... [0.5, 0.25, 0.25], + ... [0.5, 0.25, 0.25], + ... [0.5, 0.25, 0.25], + ... ] + >>> d2_log_loss_score(y_true, y_pred) + 0.0 + >>> y_true = [1, 2, 3] + >>> y_pred = [ + ... [0.98, 0.01, 0.01], + ... [0.01, 0.98, 0.01], + ... [0.01, 0.01, 0.98], + ... ] + >>> d2_log_loss_score(y_true, y_pred) + 0.981... + >>> y_true = [1, 2, 3] + >>> y_pred = [ + ... [0.1, 0.6, 0.3], + ... [0.1, 0.6, 0.3], + ... [0.4, 0.5, 0.1], + ... ] + >>> d2_log_loss_score(y_true, y_pred) + -0.552... + .. _multilabel_ranking_metrics: @@ -2124,14 +2144,11 @@ Here is a small example of usage of this function:: 0.0 -|details-start| -**References** -|details-split| +.. dropdown:: References * Tsoumakas, G., Katakis, I., & Vlahavas, I. (2010). Mining multi-label data. In Data mining and knowledge discovery handbook (pp. 667-685). Springer US. -|details-end| .. _ndcg: @@ -2177,9 +2194,7 @@ DCG score is and the NDCG score is the DCG score divided by the DCG score obtained for :math:`y`. -|details-start| -**References** -|details-split| +.. dropdown:: References * `Wikipedia entry for Discounted Cumulative Gain `_ @@ -2197,7 +2212,6 @@ and the NDCG score is the DCG score divided by the DCG score obtained for European conference on information retrieval (pp. 414-421). Springer, Berlin, Heidelberg. -|details-end| .. _regression_metrics: @@ -2230,9 +2244,6 @@ leads to a weighting of each individual score by the variance of the corresponding target variable. This setting quantifies the globally captured unscaled variance. If the target variables are of different scale, then this score puts more importance on explaining the higher variance variables. -``multioutput='variance_weighted'`` is the default value for :func:`r2_score` -for backward compatibility. This will be changed to ``uniform_average`` in the -future. .. _r2_score: @@ -2310,11 +2321,11 @@ Here is a small example of usage of the :func:`r2_score` function:: >>> r2_score(y_true, y_pred, force_finite=False) -inf -.. topic:: Example: +.. rubric:: Examples - * See :ref:`sphx_glr_auto_examples_linear_model_plot_lasso_and_elasticnet.py` - for an example of R² score usage to - evaluate Lasso and Elastic Net on sparse signals. +* See :ref:`sphx_glr_auto_examples_linear_model_plot_lasso_and_elasticnet.py` + for an example of R² score usage to + evaluate Lasso and Elastic Net on sparse signals. .. _mean_absolute_error: @@ -2381,11 +2392,10 @@ function:: >>> mean_squared_error(y_true, y_pred) 0.7083... -.. topic:: Examples: +.. rubric:: Examples - * See :ref:`sphx_glr_auto_examples_ensemble_plot_gradient_boosting_regression.py` - for an example of mean squared error usage to - evaluate gradient boosting regression. +* See :ref:`sphx_glr_auto_examples_ensemble_plot_gradient_boosting_regression.py` + for an example of mean squared error usage to evaluate gradient boosting regression. Taking the square root of the MSE, called the root mean squared error (RMSE), is another common metric that provides a measure in the same units as the target variable. RSME is @@ -2723,12 +2733,12 @@ It is also possible to build scorer objects for hyper-parameter tuning. The sign of the loss must be switched to ensure that greater means better as explained in the example linked below. -.. topic:: Example: +.. rubric:: Examples - * See :ref:`sphx_glr_auto_examples_ensemble_plot_gradient_boosting_quantile.py` - for an example of using the pinball loss to evaluate and tune the - hyper-parameters of quantile regression models on data with non-symmetric - noise and outliers. +* See :ref:`sphx_glr_auto_examples_ensemble_plot_gradient_boosting_quantile.py` + for an example of using the pinball loss to evaluate and tune the + hyper-parameters of quantile regression models on data with non-symmetric + noise and outliers. .. _d2_score: @@ -2754,77 +2764,66 @@ model can be arbitrarily worse). A constant model that always predicts :math:`y_{\text{null}}`, disregarding the input features, would get a D² score of 0.0. -|details-start| -**D² Tweedie score** -|details-split| - -The :func:`d2_tweedie_score` function implements the special case of D² -where :math:`\text{dev}(y, \hat{y})` is the Tweedie deviance, see :ref:`mean_tweedie_deviance`. -It is also known as D² Tweedie and is related to McFadden's likelihood ratio index. - -The argument ``power`` defines the Tweedie power as for -:func:`mean_tweedie_deviance`. Note that for `power=0`, -:func:`d2_tweedie_score` equals :func:`r2_score` (for single targets). +.. dropdown:: D² Tweedie score -A scorer object with a specific choice of ``power`` can be built by:: + The :func:`d2_tweedie_score` function implements the special case of D² + where :math:`\text{dev}(y, \hat{y})` is the Tweedie deviance, see :ref:`mean_tweedie_deviance`. + It is also known as D² Tweedie and is related to McFadden's likelihood ratio index. - >>> from sklearn.metrics import d2_tweedie_score, make_scorer - >>> d2_tweedie_score_15 = make_scorer(d2_tweedie_score, power=1.5) + The argument ``power`` defines the Tweedie power as for + :func:`mean_tweedie_deviance`. Note that for `power=0`, + :func:`d2_tweedie_score` equals :func:`r2_score` (for single targets). -|details-end| + A scorer object with a specific choice of ``power`` can be built by:: -|details-start| -**D² pinball score** -|details-split| + >>> from sklearn.metrics import d2_tweedie_score, make_scorer + >>> d2_tweedie_score_15 = make_scorer(d2_tweedie_score, power=1.5) -The :func:`d2_pinball_score` function implements the special case -of D² with the pinball loss, see :ref:`pinball_loss`, i.e.: +.. dropdown:: D² pinball score -.. math:: + The :func:`d2_pinball_score` function implements the special case + of D² with the pinball loss, see :ref:`pinball_loss`, i.e.: - \text{dev}(y, \hat{y}) = \text{pinball}(y, \hat{y}). + .. math:: -The argument ``alpha`` defines the slope of the pinball loss as for -:func:`mean_pinball_loss` (:ref:`pinball_loss`). It determines the -quantile level ``alpha`` for which the pinball loss and also D² -are optimal. Note that for `alpha=0.5` (the default) :func:`d2_pinball_score` -equals :func:`d2_absolute_error_score`. + \text{dev}(y, \hat{y}) = \text{pinball}(y, \hat{y}). -A scorer object with a specific choice of ``alpha`` can be built by:: + The argument ``alpha`` defines the slope of the pinball loss as for + :func:`mean_pinball_loss` (:ref:`pinball_loss`). It determines the + quantile level ``alpha`` for which the pinball loss and also D² + are optimal. Note that for `alpha=0.5` (the default) :func:`d2_pinball_score` + equals :func:`d2_absolute_error_score`. - >>> from sklearn.metrics import d2_pinball_score, make_scorer - >>> d2_pinball_score_08 = make_scorer(d2_pinball_score, alpha=0.8) + A scorer object with a specific choice of ``alpha`` can be built by:: -|details-end| + >>> from sklearn.metrics import d2_pinball_score, make_scorer + >>> d2_pinball_score_08 = make_scorer(d2_pinball_score, alpha=0.8) -|details-start| -**D² absolute error score** -|details-split| +.. dropdown:: D² absolute error score -The :func:`d2_absolute_error_score` function implements the special case of -the :ref:`mean_absolute_error`: + The :func:`d2_absolute_error_score` function implements the special case of + the :ref:`mean_absolute_error`: -.. math:: + .. math:: - \text{dev}(y, \hat{y}) = \text{MAE}(y, \hat{y}). + \text{dev}(y, \hat{y}) = \text{MAE}(y, \hat{y}). -Here are some usage examples of the :func:`d2_absolute_error_score` function:: + Here are some usage examples of the :func:`d2_absolute_error_score` function:: - >>> from sklearn.metrics import d2_absolute_error_score - >>> y_true = [3, -0.5, 2, 7] - >>> y_pred = [2.5, 0.0, 2, 8] - >>> d2_absolute_error_score(y_true, y_pred) - 0.764... - >>> y_true = [1, 2, 3] - >>> y_pred = [1, 2, 3] - >>> d2_absolute_error_score(y_true, y_pred) - 1.0 - >>> y_true = [1, 2, 3] - >>> y_pred = [2, 2, 2] - >>> d2_absolute_error_score(y_true, y_pred) - 0.0 + >>> from sklearn.metrics import d2_absolute_error_score + >>> y_true = [3, -0.5, 2, 7] + >>> y_pred = [2.5, 0.0, 2, 8] + >>> d2_absolute_error_score(y_true, y_pred) + 0.764... + >>> y_true = [1, 2, 3] + >>> y_pred = [1, 2, 3] + >>> d2_absolute_error_score(y_true, y_pred) + 1.0 + >>> y_true = [1, 2, 3] + >>> y_pred = [2, 2, 2] + >>> d2_absolute_error_score(y_true, y_pred) + 0.0 -|details-end| .. _visualization_regression_evaluation: @@ -2894,12 +2893,12 @@ model might be useful. Refer to the example below to see a model evaluation that makes use of this display. -.. topic:: Example: +.. rubric:: Examples - * See :ref:`sphx_glr_auto_examples_compose_plot_transformed_target.py` for - an example on how to use :class:`~sklearn.metrics.PredictionErrorDisplay` - to visualize the prediction quality improvement of a regression model - obtained by transforming the target before learning. +* See :ref:`sphx_glr_auto_examples_compose_plot_transformed_target.py` for + an example on how to use :class:`~sklearn.metrics.PredictionErrorDisplay` + to visualize the prediction quality improvement of a regression model + obtained by transforming the target before learning. .. _clustering_metrics: diff --git a/doc/modules/multiclass.rst b/doc/modules/multiclass.rst index 88f822dad091e..b5f7611bdfd91 100644 --- a/doc/modules/multiclass.rst +++ b/doc/modules/multiclass.rst @@ -63,8 +63,8 @@ can provide additional strategies beyond what is built-in: - :class:`semi_supervised.LabelSpreading` - :class:`discriminant_analysis.LinearDiscriminantAnalysis` - :class:`svm.LinearSVC` (setting multi_class="crammer_singer") - - :class:`linear_model.LogisticRegression` (setting multi_class="multinomial") - - :class:`linear_model.LogisticRegressionCV` (setting multi_class="multinomial") + - :class:`linear_model.LogisticRegression` (with most solvers) + - :class:`linear_model.LogisticRegressionCV` (with most solvers) - :class:`neural_network.MLPClassifier` - :class:`neighbors.NearestCentroid` - :class:`discriminant_analysis.QuadraticDiscriminantAnalysis` @@ -86,8 +86,8 @@ can provide additional strategies beyond what is built-in: - :class:`ensemble.GradientBoostingClassifier` - :class:`gaussian_process.GaussianProcessClassifier` (setting multi_class = "one_vs_rest") - :class:`svm.LinearSVC` (setting multi_class="ovr") - - :class:`linear_model.LogisticRegression` (setting multi_class="ovr") - - :class:`linear_model.LogisticRegressionCV` (setting multi_class="ovr") + - :class:`linear_model.LogisticRegression` (most solvers) + - :class:`linear_model.LogisticRegressionCV` (most solvers) - :class:`linear_model.SGDClassifier` - :class:`linear_model.Perceptron` - :class:`linear_model.PassiveAggressiveClassifier` @@ -222,9 +222,9 @@ in which cell [i, j] indicates the presence of label j in sample i. :scale: 75% -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_miscellaneous_plot_multilabel.py` +* :ref:`sphx_glr_auto_examples_miscellaneous_plot_multilabel.py` .. _ovo_classification: @@ -263,10 +263,10 @@ Below is an example of multiclass learning using OvO:: 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2]) -.. topic:: References: +.. rubric:: References - * "Pattern Recognition and Machine Learning. Springer", - Christopher M. Bishop, page 183, (First Edition) +* "Pattern Recognition and Machine Learning. Springer", + Christopher M. Bishop, page 183, (First Edition) .. _ecoc: @@ -321,21 +321,16 @@ Below is an example of multiclass learning using Output-Codes:: 2, 2, 2, 2, 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, 1, 2, 2, 2, 1, 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2]) -.. topic:: References: +.. rubric:: References - * "Solving multiclass learning problems via error-correcting output codes", - Dietterich T., Bakiri G., - Journal of Artificial Intelligence Research 2, - 1995. +* "Solving multiclass learning problems via error-correcting output codes", + Dietterich T., Bakiri G., Journal of Artificial Intelligence Research 2, 1995. - .. [3] "The error coding method and PICTs", - James G., Hastie T., - Journal of Computational and Graphical statistics 7, - 1998. +.. [3] "The error coding method and PICTs", James G., Hastie T., + Journal of Computational and Graphical statistics 7, 1998. - * "The Elements of Statistical Learning", - Hastie T., Tibshirani R., Friedman J., page 606 (second-edition) - 2008. +* "The Elements of Statistical Learning", + Hastie T., Tibshirani R., Friedman J., page 606 (second-edition), 2008. .. _multilabel_classification: @@ -432,10 +427,10 @@ one does not know the optimal ordering of the models in the chain so typically many randomly ordered chains are fit and their predictions are averaged together. -.. topic:: References: +.. rubric:: References - Jesse Read, Bernhard Pfahringer, Geoff Holmes, Eibe Frank, - "Classifier Chains for Multi-label Classification", 2009. +* Jesse Read, Bernhard Pfahringer, Geoff Holmes, Eibe Frank, + "Classifier Chains for Multi-label Classification", 2009. .. _multiclass_multioutput_classification: diff --git a/doc/modules/naive_bayes.rst b/doc/modules/naive_bayes.rst index 05ca928dfae0b..6e80ec6145919 100644 --- a/doc/modules/naive_bayes.rst +++ b/doc/modules/naive_bayes.rst @@ -69,15 +69,11 @@ On the flip side, although naive Bayes is known as a decent classifier, it is known to be a bad estimator, so the probability outputs from ``predict_proba`` are not to be taken too seriously. -|details-start| -**References** -|details-split| +.. dropdown:: References -* H. Zhang (2004). `The optimality of Naive Bayes. - `_ - Proc. FLAIRS. - -|details-end| + * H. Zhang (2004). `The optimality of Naive Bayes. + `_ + Proc. FLAIRS. .. _gaussian_naive_bayes: @@ -153,47 +149,40 @@ The inventors of CNB show empirically that the parameter estimates for CNB are more stable than those for MNB. Further, CNB regularly outperforms MNB (often by a considerable margin) on text classification tasks. -|details-start| -**Weights calculation** -|details-split| - -The procedure for calculating the weights is as follows: +.. dropdown:: Weights calculation -.. math:: + The procedure for calculating the weights is as follows: - \hat{\theta}_{ci} = \frac{\alpha_i + \sum_{j:y_j \neq c} d_{ij}} - {\alpha + \sum_{j:y_j \neq c} \sum_{k} d_{kj}} + .. math:: - w_{ci} = \log \hat{\theta}_{ci} + \hat{\theta}_{ci} = \frac{\alpha_i + \sum_{j:y_j \neq c} d_{ij}} + {\alpha + \sum_{j:y_j \neq c} \sum_{k} d_{kj}} - w_{ci} = \frac{w_{ci}}{\sum_{j} |w_{cj}|} + w_{ci} = \log \hat{\theta}_{ci} -where the summations are over all documents :math:`j` not in class :math:`c`, -:math:`d_{ij}` is either the count or tf-idf value of term :math:`i` in document -:math:`j`, :math:`\alpha_i` is a smoothing hyperparameter like that found in -MNB, and :math:`\alpha = \sum_{i} \alpha_i`. The second normalization addresses -the tendency for longer documents to dominate parameter estimates in MNB. The -classification rule is: + w_{ci} = \frac{w_{ci}}{\sum_{j} |w_{cj}|} -.. math:: + where the summations are over all documents :math:`j` not in class :math:`c`, + :math:`d_{ij}` is either the count or tf-idf value of term :math:`i` in document + :math:`j`, :math:`\alpha_i` is a smoothing hyperparameter like that found in + MNB, and :math:`\alpha = \sum_{i} \alpha_i`. The second normalization addresses + the tendency for longer documents to dominate parameter estimates in MNB. The + classification rule is: - \hat{c} = \arg\min_c \sum_{i} t_i w_{ci} + .. math:: -i.e., a document is assigned to the class that is the *poorest* complement -match. + \hat{c} = \arg\min_c \sum_{i} t_i w_{ci} -|details-end| + i.e., a document is assigned to the class that is the *poorest* complement + match. -|details-start| -**References** -|details-split| +.. dropdown:: References -* Rennie, J. D., Shih, L., Teevan, J., & Karger, D. R. (2003). - `Tackling the poor assumptions of naive bayes text classifiers. - `_ - In ICML (Vol. 3, pp. 616-623). + * Rennie, J. D., Shih, L., Teevan, J., & Karger, D. R. (2003). + `Tackling the poor assumptions of naive bayes text classifiers. + `_ + In ICML (Vol. 3, pp. 616-623). -|details-end| .. _bernoulli_naive_bayes: @@ -224,24 +213,21 @@ count vectors) may be used to train and use this classifier. :class:`BernoulliNB might perform better on some datasets, especially those with shorter documents. It is advisable to evaluate both models, if time permits. -|details-start| -**References** -|details-split| +.. dropdown:: References -* C.D. Manning, P. Raghavan and H. Schütze (2008). Introduction to - Information Retrieval. Cambridge University Press, pp. 234-265. + * C.D. Manning, P. Raghavan and H. Schütze (2008). Introduction to + Information Retrieval. Cambridge University Press, pp. 234-265. -* A. McCallum and K. Nigam (1998). - `A comparison of event models for Naive Bayes text classification. - `_ - Proc. AAAI/ICML-98 Workshop on Learning for Text Categorization, pp. 41-48. + * A. McCallum and K. Nigam (1998). + `A comparison of event models for Naive Bayes text classification. + `_ + Proc. AAAI/ICML-98 Workshop on Learning for Text Categorization, pp. 41-48. -* V. Metsis, I. Androutsopoulos and G. Paliouras (2006). - `Spam filtering with Naive Bayes -- Which Naive Bayes? - `_ - 3rd Conf. on Email and Anti-Spam (CEAS). + * V. Metsis, I. Androutsopoulos and G. Paliouras (2006). + `Spam filtering with Naive Bayes -- Which Naive Bayes? + `_ + 3rd Conf. on Email and Anti-Spam (CEAS). -|details-end| .. _categorical_naive_bayes: @@ -258,25 +244,21 @@ For each feature :math:`i` in the training set :math:`X`, of X conditioned on the class y. The index set of the samples is defined as :math:`J = \{ 1, \dots, m \}`, with :math:`m` as the number of samples. -|details-start| -**Probability calculation** -|details-split| - -The probability of category :math:`t` in feature :math:`i` given class -:math:`c` is estimated as: +.. dropdown:: Probability calculation -.. math:: + The probability of category :math:`t` in feature :math:`i` given class + :math:`c` is estimated as: - P(x_i = t \mid y = c \: ;\, \alpha) = \frac{ N_{tic} + \alpha}{N_{c} + - \alpha n_i}, + .. math:: -where :math:`N_{tic} = |\{j \in J \mid x_{ij} = t, y_j = c\}|` is the number -of times category :math:`t` appears in the samples :math:`x_{i}`, which belong -to class :math:`c`, :math:`N_{c} = |\{ j \in J\mid y_j = c\}|` is the number -of samples with class c, :math:`\alpha` is a smoothing parameter and -:math:`n_i` is the number of available categories of feature :math:`i`. + P(x_i = t \mid y = c \: ;\, \alpha) = \frac{ N_{tic} + \alpha}{N_{c} + + \alpha n_i}, -|details-end| + where :math:`N_{tic} = |\{j \in J \mid x_{ij} = t, y_j = c\}|` is the number + of times category :math:`t` appears in the samples :math:`x_{i}`, which belong + to class :math:`c`, :math:`N_{c} = |\{ j \in J\mid y_j = c\}|` is the number + of samples with class c, :math:`\alpha` is a smoothing parameter and + :math:`n_i` is the number of available categories of feature :math:`i`. :class:`CategoricalNB` assumes that the sample matrix :math:`X` is encoded (for instance with the help of :class:`~sklearn.preprocessing.OrdinalEncoder`) such diff --git a/doc/modules/neighbors.rst b/doc/modules/neighbors.rst index b081b29572d8a..de0eff67018bc 100644 --- a/doc/modules/neighbors.rst +++ b/doc/modules/neighbors.rst @@ -192,10 +192,10 @@ distance can be supplied to compute the weights. .. centered:: |classification_1| -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_neighbors_plot_classification.py`: an example of - classification using nearest neighbors. +* :ref:`sphx_glr_auto_examples_neighbors_plot_classification.py`: an example of + classification using nearest neighbors. .. _regression: @@ -241,13 +241,13 @@ the lower half of those faces. :align: center -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_neighbors_plot_regression.py`: an example of regression - using nearest neighbors. +* :ref:`sphx_glr_auto_examples_neighbors_plot_regression.py`: an example of regression + using nearest neighbors. - * :ref:`sphx_glr_auto_examples_miscellaneous_plot_multioutput_face_completion.py`: an example of - multi-output regression using nearest neighbors. +* :ref:`sphx_glr_auto_examples_miscellaneous_plot_multioutput_face_completion.py`: + an example of multi-output regression using nearest neighbors. Nearest Neighbor Algorithms @@ -304,15 +304,13 @@ In scikit-learn, KD tree neighbors searches are specified using the keyword ``algorithm = 'kd_tree'``, and are computed using the class :class:`KDTree`. -|details-start| -**References** -|details-split| - * `"Multidimensional binary search trees used for associative searching" - `_, - Bentley, J.L., Communications of the ACM (1975) +.. dropdown:: References + + * `"Multidimensional binary search trees used for associative searching" + `_, + Bentley, J.L., Communications of the ACM (1975) -|details-end| .. _ball_tree: @@ -345,156 +343,142 @@ neighbors searches are specified using the keyword ``algorithm = 'ball_tree'``, and are computed using the class :class:`BallTree`. Alternatively, the user can work with the :class:`BallTree` class directly. -|details-start| -**References** -|details-split| - - * `"Five Balltree Construction Algorithms" - `_, - Omohundro, S.M., International Computer Science Institute - Technical Report (1989) - -|details-end| - -|details-start| -**Choice of Nearest Neighbors Algorithm** -|details-split| - -The optimal algorithm for a given dataset is a complicated choice, and -depends on a number of factors: - -* number of samples :math:`N` (i.e. ``n_samples``) and dimensionality - :math:`D` (i.e. ``n_features``). - - * *Brute force* query time grows as :math:`O[D N]` - * *Ball tree* query time grows as approximately :math:`O[D \log(N)]` - * *KD tree* query time changes with :math:`D` in a way that is difficult - to precisely characterise. For small :math:`D` (less than 20 or so) - the cost is approximately :math:`O[D\log(N)]`, and the KD tree - query can be very efficient. - For larger :math:`D`, the cost increases to nearly :math:`O[DN]`, and - the overhead due to the tree - structure can lead to queries which are slower than brute force. - - For small data sets (:math:`N` less than 30 or so), :math:`\log(N)` is - comparable to :math:`N`, and brute force algorithms can be more efficient - than a tree-based approach. Both :class:`KDTree` and :class:`BallTree` - address this through providing a *leaf size* parameter: this controls the - number of samples at which a query switches to brute-force. This allows both - algorithms to approach the efficiency of a brute-force computation for small - :math:`N`. - -* data structure: *intrinsic dimensionality* of the data and/or *sparsity* - of the data. Intrinsic dimensionality refers to the dimension - :math:`d \le D` of a manifold on which the data lies, which can be linearly - or non-linearly embedded in the parameter space. Sparsity refers to the - degree to which the data fills the parameter space (this is to be - distinguished from the concept as used in "sparse" matrices. The data - matrix may have no zero entries, but the **structure** can still be - "sparse" in this sense). - - * *Brute force* query time is unchanged by data structure. - * *Ball tree* and *KD tree* query times can be greatly influenced - by data structure. In general, sparser data with a smaller intrinsic - dimensionality leads to faster query times. Because the KD tree - internal representation is aligned with the parameter axes, it will not - generally show as much improvement as ball tree for arbitrarily - structured data. - - Datasets used in machine learning tend to be very structured, and are - very well-suited for tree-based queries. - -* number of neighbors :math:`k` requested for a query point. - - * *Brute force* query time is largely unaffected by the value of :math:`k` - * *Ball tree* and *KD tree* query time will become slower as :math:`k` - increases. This is due to two effects: first, a larger :math:`k` leads - to the necessity to search a larger portion of the parameter space. - Second, using :math:`k > 1` requires internal queueing of results - as the tree is traversed. - - As :math:`k` becomes large compared to :math:`N`, the ability to prune - branches in a tree-based query is reduced. In this situation, Brute force - queries can be more efficient. - -* number of query points. Both the ball tree and the KD Tree - require a construction phase. The cost of this construction becomes - negligible when amortized over many queries. If only a small number of - queries will be performed, however, the construction can make up - a significant fraction of the total cost. If very few query points - will be required, brute force is better than a tree-based method. - -Currently, ``algorithm = 'auto'`` selects ``'brute'`` if any of the following -conditions are verified: - -* input data is sparse -* ``metric = 'precomputed'`` -* :math:`D > 15` -* :math:`k >= N/2` -* ``effective_metric_`` isn't in the ``VALID_METRICS`` list for either - ``'kd_tree'`` or ``'ball_tree'`` - -Otherwise, it selects the first out of ``'kd_tree'`` and ``'ball_tree'`` that -has ``effective_metric_`` in its ``VALID_METRICS`` list. This heuristic is -based on the following assumptions: - -* the number of query points is at least the same order as the number of - training points -* ``leaf_size`` is close to its default value of ``30`` -* when :math:`D > 15`, the intrinsic dimensionality of the data is generally - too high for tree-based methods - -|details-end| - -|details-start| -**Effect of ``leaf_size``** -|details-split| - -As noted above, for small sample sizes a brute force search can be more -efficient than a tree-based query. This fact is accounted for in the ball -tree and KD tree by internally switching to brute force searches within -leaf nodes. The level of this switch can be specified with the parameter -``leaf_size``. This parameter choice has many effects: - -**construction time** - A larger ``leaf_size`` leads to a faster tree construction time, because - fewer nodes need to be created - -**query time** - Both a large or small ``leaf_size`` can lead to suboptimal query cost. - For ``leaf_size`` approaching 1, the overhead involved in traversing - nodes can significantly slow query times. For ``leaf_size`` approaching - the size of the training set, queries become essentially brute force. - A good compromise between these is ``leaf_size = 30``, the default value - of the parameter. - -**memory** - As ``leaf_size`` increases, the memory required to store a tree structure - decreases. This is especially important in the case of ball tree, which - stores a :math:`D`-dimensional centroid for each node. The required - storage space for :class:`BallTree` is approximately ``1 / leaf_size`` times - the size of the training set. - -``leaf_size`` is not referenced for brute force queries. -|details-end| - -|details-start| -**Valid Metrics for Nearest Neighbor Algorithms** -|details-split| - -For a list of available metrics, see the documentation of the -:class:`~sklearn.metrics.DistanceMetric` class and the metrics listed in -`sklearn.metrics.pairwise.PAIRWISE_DISTANCE_FUNCTIONS`. Note that the "cosine" -metric uses :func:`~sklearn.metrics.pairwise.cosine_distances`. - -A list of valid metrics for any of the above algorithms can be obtained by using their -``valid_metric`` attribute. For example, valid metrics for ``KDTree`` can be generated by: - - >>> from sklearn.neighbors import KDTree - >>> print(sorted(KDTree.valid_metrics)) - ['chebyshev', 'cityblock', 'euclidean', 'infinity', 'l1', 'l2', 'manhattan', 'minkowski', 'p'] -|details-end| +.. dropdown:: References + + * `"Five Balltree Construction Algorithms" + `_, + Omohundro, S.M., International Computer Science Institute + Technical Report (1989) + +.. dropdown:: Choice of Nearest Neighbors Algorithm + + The optimal algorithm for a given dataset is a complicated choice, and + depends on a number of factors: + + * number of samples :math:`N` (i.e. ``n_samples``) and dimensionality + :math:`D` (i.e. ``n_features``). + + * *Brute force* query time grows as :math:`O[D N]` + * *Ball tree* query time grows as approximately :math:`O[D \log(N)]` + * *KD tree* query time changes with :math:`D` in a way that is difficult + to precisely characterise. For small :math:`D` (less than 20 or so) + the cost is approximately :math:`O[D\log(N)]`, and the KD tree + query can be very efficient. + For larger :math:`D`, the cost increases to nearly :math:`O[DN]`, and + the overhead due to the tree + structure can lead to queries which are slower than brute force. + + For small data sets (:math:`N` less than 30 or so), :math:`\log(N)` is + comparable to :math:`N`, and brute force algorithms can be more efficient + than a tree-based approach. Both :class:`KDTree` and :class:`BallTree` + address this through providing a *leaf size* parameter: this controls the + number of samples at which a query switches to brute-force. This allows both + algorithms to approach the efficiency of a brute-force computation for small + :math:`N`. + + * data structure: *intrinsic dimensionality* of the data and/or *sparsity* + of the data. Intrinsic dimensionality refers to the dimension + :math:`d \le D` of a manifold on which the data lies, which can be linearly + or non-linearly embedded in the parameter space. Sparsity refers to the + degree to which the data fills the parameter space (this is to be + distinguished from the concept as used in "sparse" matrices. The data + matrix may have no zero entries, but the **structure** can still be + "sparse" in this sense). + + * *Brute force* query time is unchanged by data structure. + * *Ball tree* and *KD tree* query times can be greatly influenced + by data structure. In general, sparser data with a smaller intrinsic + dimensionality leads to faster query times. Because the KD tree + internal representation is aligned with the parameter axes, it will not + generally show as much improvement as ball tree for arbitrarily + structured data. + + Datasets used in machine learning tend to be very structured, and are + very well-suited for tree-based queries. + + * number of neighbors :math:`k` requested for a query point. + + * *Brute force* query time is largely unaffected by the value of :math:`k` + * *Ball tree* and *KD tree* query time will become slower as :math:`k` + increases. This is due to two effects: first, a larger :math:`k` leads + to the necessity to search a larger portion of the parameter space. + Second, using :math:`k > 1` requires internal queueing of results + as the tree is traversed. + + As :math:`k` becomes large compared to :math:`N`, the ability to prune + branches in a tree-based query is reduced. In this situation, Brute force + queries can be more efficient. + + * number of query points. Both the ball tree and the KD Tree + require a construction phase. The cost of this construction becomes + negligible when amortized over many queries. If only a small number of + queries will be performed, however, the construction can make up + a significant fraction of the total cost. If very few query points + will be required, brute force is better than a tree-based method. + + Currently, ``algorithm = 'auto'`` selects ``'brute'`` if any of the following + conditions are verified: + + * input data is sparse + * ``metric = 'precomputed'`` + * :math:`D > 15` + * :math:`k >= N/2` + * ``effective_metric_`` isn't in the ``VALID_METRICS`` list for either + ``'kd_tree'`` or ``'ball_tree'`` + + Otherwise, it selects the first out of ``'kd_tree'`` and ``'ball_tree'`` that + has ``effective_metric_`` in its ``VALID_METRICS`` list. This heuristic is + based on the following assumptions: + + * the number of query points is at least the same order as the number of + training points + * ``leaf_size`` is close to its default value of ``30`` + * when :math:`D > 15`, the intrinsic dimensionality of the data is generally + too high for tree-based methods + +.. dropdown:: Effect of ``leaf_size`` + + As noted above, for small sample sizes a brute force search can be more + efficient than a tree-based query. This fact is accounted for in the ball + tree and KD tree by internally switching to brute force searches within + leaf nodes. The level of this switch can be specified with the parameter + ``leaf_size``. This parameter choice has many effects: + + **construction time** + A larger ``leaf_size`` leads to a faster tree construction time, because + fewer nodes need to be created + + **query time** + Both a large or small ``leaf_size`` can lead to suboptimal query cost. + For ``leaf_size`` approaching 1, the overhead involved in traversing + nodes can significantly slow query times. For ``leaf_size`` approaching + the size of the training set, queries become essentially brute force. + A good compromise between these is ``leaf_size = 30``, the default value + of the parameter. + + **memory** + As ``leaf_size`` increases, the memory required to store a tree structure + decreases. This is especially important in the case of ball tree, which + stores a :math:`D`-dimensional centroid for each node. The required + storage space for :class:`BallTree` is approximately ``1 / leaf_size`` times + the size of the training set. + + ``leaf_size`` is not referenced for brute force queries. + +.. dropdown:: Valid Metrics for Nearest Neighbor Algorithms + + For a list of available metrics, see the documentation of the + :class:`~sklearn.metrics.DistanceMetric` class and the metrics listed in + `sklearn.metrics.pairwise.PAIRWISE_DISTANCE_FUNCTIONS`. Note that the "cosine" + metric uses :func:`~sklearn.metrics.pairwise.cosine_distances`. + + A list of valid metrics for any of the above algorithms can be obtained by using their + ``valid_metric`` attribute. For example, valid metrics for ``KDTree`` can be generated by: + + >>> from sklearn.neighbors import KDTree + >>> print(sorted(KDTree.valid_metrics)) + ['chebyshev', 'cityblock', 'euclidean', 'infinity', 'l1', 'l2', 'manhattan', 'minkowski', 'p'] .. _nearest_centroid_classifier: @@ -547,10 +531,10 @@ the model from 0.81 to 0.82. .. centered:: |nearest_centroid_1| |nearest_centroid_2| -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_neighbors_plot_nearest_centroid.py`: an example of - classification using nearest centroid with different shrink thresholds. +* :ref:`sphx_glr_auto_examples_neighbors_plot_nearest_centroid.py`: an example of + classification using nearest centroid with different shrink thresholds. .. _neighbors_transformer: @@ -635,17 +619,17 @@ implementation with special data types. The precomputed neighbors include one extra neighbor in a custom nearest neighbors estimator, since unnecessary neighbors will be filtered by following estimators. -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_neighbors_approximate_nearest_neighbors.py`: - an example of pipelining :class:`KNeighborsTransformer` and - :class:`~sklearn.manifold.TSNE`. Also proposes two custom nearest neighbors - estimators based on external packages. +* :ref:`sphx_glr_auto_examples_neighbors_approximate_nearest_neighbors.py`: + an example of pipelining :class:`KNeighborsTransformer` and + :class:`~sklearn.manifold.TSNE`. Also proposes two custom nearest neighbors + estimators based on external packages. - * :ref:`sphx_glr_auto_examples_neighbors_plot_caching_nearest_neighbors.py`: - an example of pipelining :class:`KNeighborsTransformer` and - :class:`KNeighborsClassifier` to enable caching of the neighbors graph - during a hyper-parameter grid-search. +* :ref:`sphx_glr_auto_examples_neighbors_plot_caching_nearest_neighbors.py`: + an example of pipelining :class:`KNeighborsTransformer` and + :class:`KNeighborsClassifier` to enable caching of the neighbors graph + during a hyper-parameter grid-search. .. _nca: @@ -769,11 +753,11 @@ by each method. Each data sample belongs to one of 10 classes. .. centered:: |nca_dim_reduction_1| |nca_dim_reduction_2| |nca_dim_reduction_3| -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_neighbors_plot_nca_classification.py` - * :ref:`sphx_glr_auto_examples_neighbors_plot_nca_dim_reduction.py` - * :ref:`sphx_glr_auto_examples_manifold_plot_lle_digits.py` +* :ref:`sphx_glr_auto_examples_neighbors_plot_nca_classification.py` +* :ref:`sphx_glr_auto_examples_neighbors_plot_nca_dim_reduction.py` +* :ref:`sphx_glr_auto_examples_manifold_plot_lle_digits.py` .. _nca_mathematical_formulation: @@ -806,20 +790,17 @@ space: p_{i j} = \frac{\exp(-||L x_i - L x_j||^2)}{\sum\limits_{k \ne i} {\exp{-(||L x_i - L x_k||^2)}}} , \quad p_{i i} = 0 -|details-start| -**Mahalanobis distance** -|details-split| +.. dropdown:: Mahalanobis distance -NCA can be seen as learning a (squared) Mahalanobis distance metric: + NCA can be seen as learning a (squared) Mahalanobis distance metric: -.. math:: + .. math:: - || L(x_i - x_j)||^2 = (x_i - x_j)^TM(x_i - x_j), + || L(x_i - x_j)||^2 = (x_i - x_j)^TM(x_i - x_j), -where :math:`M = L^T L` is a symmetric positive semi-definite matrix of size -``(n_features, n_features)``. + where :math:`M = L^T L` is a symmetric positive semi-definite matrix of size + ``(n_features, n_features)``. -|details-end| Implementation -------------- @@ -851,14 +832,12 @@ complexity equals ``n_components * n_features * n_samples_test``. There is no added space complexity in the operation. -.. topic:: References: - - .. [1] `"Neighbourhood Components Analysis" - `_, - J. Goldberger, S. Roweis, G. Hinton, R. Salakhutdinov, Advances in - Neural Information Processing Systems, Vol. 17, May 2005, pp. 513-520. +.. rubric:: References - `Wikipedia entry on Neighborhood Components Analysis - `_ +.. [1] `"Neighbourhood Components Analysis" + `_, + J. Goldberger, S. Roweis, G. Hinton, R. Salakhutdinov, Advances in + Neural Information Processing Systems, Vol. 17, May 2005, pp. 513-520. -|details-end| +* `Wikipedia entry on Neighborhood Components Analysis + `_ diff --git a/doc/modules/neural_networks_supervised.rst b/doc/modules/neural_networks_supervised.rst index 95d0a1be38238..5c6baecb7e2ff 100644 --- a/doc/modules/neural_networks_supervised.rst +++ b/doc/modules/neural_networks_supervised.rst @@ -49,33 +49,30 @@ The module contains the public attributes ``coefs_`` and ``intercepts_``. :math:`i+1`. ``intercepts_`` is a list of bias vectors, where the vector at index :math:`i` represents the bias values added to layer :math:`i+1`. -|details-start| -**Advantages and disadvantages of Multi-layer Perceptron** -|details-split| +.. dropdown:: Advantages and disadvantages of Multi-layer Perceptron -The advantages of Multi-layer Perceptron are: + The advantages of Multi-layer Perceptron are: -+ Capability to learn non-linear models. + + Capability to learn non-linear models. -+ Capability to learn models in real-time (on-line learning) - using ``partial_fit``. + + Capability to learn models in real-time (on-line learning) + using ``partial_fit``. -The disadvantages of Multi-layer Perceptron (MLP) include: + The disadvantages of Multi-layer Perceptron (MLP) include: -+ MLP with hidden layers have a non-convex loss function where there exists - more than one local minimum. Therefore different random weight - initializations can lead to different validation accuracy. + + MLP with hidden layers have a non-convex loss function where there exists + more than one local minimum. Therefore different random weight + initializations can lead to different validation accuracy. -+ MLP requires tuning a number of hyperparameters such as the number of - hidden neurons, layers, and iterations. + + MLP requires tuning a number of hyperparameters such as the number of + hidden neurons, layers, and iterations. -+ MLP is sensitive to feature scaling. + + MLP is sensitive to feature scaling. -Please see :ref:`Tips on Practical Use ` section that addresses -some of these disadvantages. + Please see :ref:`Tips on Practical Use ` section that addresses + some of these disadvantages. -|details-end| Classification ============== @@ -148,11 +145,11 @@ indices where the value is `1` represents the assigned classes of that sample:: See the examples below and the docstring of :meth:`MLPClassifier.fit` for further information. -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_neural_networks_plot_mlp_training_curves.py` - * See :ref:`sphx_glr_auto_examples_neural_networks_plot_mnist_filters.py` for - visualized representation of trained weights. +* :ref:`sphx_glr_auto_examples_neural_networks_plot_mlp_training_curves.py` +* See :ref:`sphx_glr_auto_examples_neural_networks_plot_mnist_filters.py` for + visualized representation of trained weights. Regression ========== @@ -181,9 +178,9 @@ decision function with value of alpha. See the examples below for further information. -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_neural_networks_plot_mlp_alpha.py` +* :ref:`sphx_glr_auto_examples_neural_networks_plot_mlp_alpha.py` Algorithms ========== @@ -229,88 +226,83 @@ Complexity Suppose there are :math:`n` training samples, :math:`m` features, :math:`k` hidden layers, each containing :math:`h` neurons - for simplicity, and :math:`o` output neurons. The time complexity of backpropagation is -:math:`O(n\cdot m \cdot h^k \cdot o \cdot i)`, where :math:`i` is the number +:math:`O(i \cdot n \cdot (m \cdot h + (k - 1) \cdot h \cdot h + h \cdot o))`, where :math:`i` is the number of iterations. Since backpropagation has a high time complexity, it is advisable to start with smaller number of hidden neurons and few hidden layers for training. -|details-start| -Mathematical formulation -|details-split| +.. dropdown:: Mathematical formulation -Given a set of training examples :math:`(x_1, y_1), (x_2, y_2), \ldots, (x_n, y_n)` -where :math:`x_i \in \mathbf{R}^n` and :math:`y_i \in \{0, 1\}`, a one hidden -layer one hidden neuron MLP learns the function :math:`f(x) = W_2 g(W_1^T x + b_1) + b_2` -where :math:`W_1 \in \mathbf{R}^m` and :math:`W_2, b_1, b_2 \in \mathbf{R}` are -model parameters. :math:`W_1, W_2` represent the weights of the input layer and -hidden layer, respectively; and :math:`b_1, b_2` represent the bias added to -the hidden layer and the output layer, respectively. -:math:`g(\cdot) : R \rightarrow R` is the activation function, set by default as -the hyperbolic tan. It is given as, + Given a set of training examples :math:`(x_1, y_1), (x_2, y_2), \ldots, (x_n, y_n)` + where :math:`x_i \in \mathbf{R}^n` and :math:`y_i \in \{0, 1\}`, a one hidden + layer one hidden neuron MLP learns the function :math:`f(x) = W_2 g(W_1^T x + b_1) + b_2` + where :math:`W_1 \in \mathbf{R}^m` and :math:`W_2, b_1, b_2 \in \mathbf{R}` are + model parameters. :math:`W_1, W_2` represent the weights of the input layer and + hidden layer, respectively; and :math:`b_1, b_2` represent the bias added to + the hidden layer and the output layer, respectively. + :math:`g(\cdot) : R \rightarrow R` is the activation function, set by default as + the hyperbolic tan. It is given as, -.. math:: - g(z)= \frac{e^z-e^{-z}}{e^z+e^{-z}} - -For binary classification, :math:`f(x)` passes through the logistic function -:math:`g(z)=1/(1+e^{-z})` to obtain output values between zero and one. A -threshold, set to 0.5, would assign samples of outputs larger or equal 0.5 -to the positive class, and the rest to the negative class. + .. math:: + g(z)= \frac{e^z-e^{-z}}{e^z+e^{-z}} -If there are more than two classes, :math:`f(x)` itself would be a vector of -size (n_classes,). Instead of passing through logistic function, it passes -through the softmax function, which is written as, - -.. math:: - \text{softmax}(z)_i = \frac{\exp(z_i)}{\sum_{l=1}^k\exp(z_l)} + For binary classification, :math:`f(x)` passes through the logistic function + :math:`g(z)=1/(1+e^{-z})` to obtain output values between zero and one. A + threshold, set to 0.5, would assign samples of outputs larger or equal 0.5 + to the positive class, and the rest to the negative class. -where :math:`z_i` represents the :math:`i` th element of the input to softmax, -which corresponds to class :math:`i`, and :math:`K` is the number of classes. -The result is a vector containing the probabilities that sample :math:`x` -belong to each class. The output is the class with the highest probability. + If there are more than two classes, :math:`f(x)` itself would be a vector of + size (n_classes,). Instead of passing through logistic function, it passes + through the softmax function, which is written as, -In regression, the output remains as :math:`f(x)`; therefore, output activation -function is just the identity function. + .. math:: + \text{softmax}(z)_i = \frac{\exp(z_i)}{\sum_{l=1}^k\exp(z_l)} -MLP uses different loss functions depending on the problem type. The loss -function for classification is Average Cross-Entropy, which in binary case is -given as, + where :math:`z_i` represents the :math:`i` th element of the input to softmax, + which corresponds to class :math:`i`, and :math:`K` is the number of classes. + The result is a vector containing the probabilities that sample :math:`x` + belong to each class. The output is the class with the highest probability. -.. math:: + In regression, the output remains as :math:`f(x)`; therefore, output activation + function is just the identity function. - Loss(\hat{y},y,W) = -\dfrac{1}{n}\sum_{i=0}^n(y_i \ln {\hat{y_i}} + (1-y_i) \ln{(1-\hat{y_i})}) + \dfrac{\alpha}{2n} ||W||_2^2 + MLP uses different loss functions depending on the problem type. The loss + function for classification is Average Cross-Entropy, which in binary case is + given as, -where :math:`\alpha ||W||_2^2` is an L2-regularization term (aka penalty) -that penalizes complex models; and :math:`\alpha > 0` is a non-negative -hyperparameter that controls the magnitude of the penalty. + .. math:: -For regression, MLP uses the Mean Square Error loss function; written as, + Loss(\hat{y},y,W) = -\dfrac{1}{n}\sum_{i=0}^n(y_i \ln {\hat{y_i}} + (1-y_i) \ln{(1-\hat{y_i})}) + \dfrac{\alpha}{2n} ||W||_2^2 -.. math:: + where :math:`\alpha ||W||_2^2` is an L2-regularization term (aka penalty) + that penalizes complex models; and :math:`\alpha > 0` is a non-negative + hyperparameter that controls the magnitude of the penalty. - Loss(\hat{y},y,W) = \frac{1}{2n}\sum_{i=0}^n||\hat{y}_i - y_i ||_2^2 + \frac{\alpha}{2n} ||W||_2^2 + For regression, MLP uses the Mean Square Error loss function; written as, + .. math:: -Starting from initial random weights, multi-layer perceptron (MLP) minimizes -the loss function by repeatedly updating these weights. After computing the -loss, a backward pass propagates it from the output layer to the previous -layers, providing each weight parameter with an update value meant to decrease -the loss. + Loss(\hat{y},y,W) = \frac{1}{2n}\sum_{i=0}^n||\hat{y}_i - y_i ||_2^2 + \frac{\alpha}{2n} ||W||_2^2 -In gradient descent, the gradient :math:`\nabla Loss_{W}` of the loss with respect -to the weights is computed and deducted from :math:`W`. -More formally, this is expressed as, + Starting from initial random weights, multi-layer perceptron (MLP) minimizes + the loss function by repeatedly updating these weights. After computing the + loss, a backward pass propagates it from the output layer to the previous + layers, providing each weight parameter with an update value meant to decrease + the loss. -.. math:: - W^{i+1} = W^i - \epsilon \nabla {Loss}_{W}^{i} + In gradient descent, the gradient :math:`\nabla Loss_{W}` of the loss with respect + to the weights is computed and deducted from :math:`W`. + More formally, this is expressed as, + .. math:: + W^{i+1} = W^i - \epsilon \nabla {Loss}_{W}^{i} -where :math:`i` is the iteration step, and :math:`\epsilon` is the learning rate -with a value larger than 0. + where :math:`i` is the iteration step, and :math:`\epsilon` is the learning rate + with a value larger than 0. -The algorithm stops when it reaches a preset maximum number of iterations; or -when the improvement in loss is below a certain, small number. + The algorithm stops when it reaches a preset maximum number of iterations; or + when the improvement in loss is below a certain, small number. -|details-end| .. _mlp_tips: @@ -361,25 +353,19 @@ or want to do additional monitoring, using ``warm_start=True`` and ... # additional monitoring / inspection MLPClassifier(... -|details-start| -**References** -|details-split| - - * `"Learning representations by back-propagating errors." - `_ - Rumelhart, David E., Geoffrey E. Hinton, and Ronald J. Williams. +.. dropdown:: References - * `"Stochastic Gradient Descent" `_ L. Bottou - Website, 2010. + * `"Learning representations by back-propagating errors." + `_ + Rumelhart, David E., Geoffrey E. Hinton, and Ronald J. Williams. - * `"Backpropagation" `_ - Andrew Ng, Jiquan Ngiam, Chuan Yu Foo, Yifan Mai, Caroline Suen - Website, 2011. + * `"Stochastic Gradient Descent" `_ L. Bottou - Website, 2010. - * `"Efficient BackProp" `_ - Y. LeCun, L. Bottou, G. Orr, K. Müller - In Neural Networks: Tricks - of the Trade 1998. + * `"Backpropagation" `_ + Andrew Ng, Jiquan Ngiam, Chuan Yu Foo, Yifan Mai, Caroline Suen - Website, 2011. - * :arxiv:`"Adam: A method for stochastic optimization." - <1412.6980>` - Kingma, Diederik, and Jimmy Ba (2014) + * `"Efficient BackProp" `_ + Y. LeCun, L. Bottou, G. Orr, K. Müller - In Neural Networks: Tricks of the Trade 1998. -|details-end| + * :arxiv:`"Adam: A method for stochastic optimization." <1412.6980>` + Kingma, Diederik, and Jimmy Ba (2014) diff --git a/doc/modules/neural_networks_unsupervised.rst b/doc/modules/neural_networks_unsupervised.rst index aca56ae8aaf2e..7f6c0016d183b 100644 --- a/doc/modules/neural_networks_unsupervised.rst +++ b/doc/modules/neural_networks_unsupervised.rst @@ -37,9 +37,9 @@ weights of independent RBMs. This method is known as unsupervised pre-training. :align: center :scale: 100% -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_neural_networks_plot_rbm_logistic_classification.py` +* :ref:`sphx_glr_auto_examples_neural_networks_plot_rbm_logistic_classification.py` Graphical model and parametrization @@ -57,7 +57,7 @@ visible and hidden unit, omitted from the image for simplicity. The energy function measures the quality of a joint assignment: -.. math:: +.. math:: E(\mathbf{v}, \mathbf{h}) = -\sum_i \sum_j w_{ij}v_ih_j - \sum_i b_iv_i - \sum_j c_jh_j @@ -149,13 +149,13 @@ step, in PCD we keep a number of chains (fantasy particles) that are updated :math:`k` Gibbs steps after each weight update. This allows the particles to explore the space more thoroughly. -.. topic:: References: +.. rubric:: References - * `"A fast learning algorithm for deep belief nets" - `_ - G. Hinton, S. Osindero, Y.-W. Teh, 2006 +* `"A fast learning algorithm for deep belief nets" + `_, + G. Hinton, S. Osindero, Y.-W. Teh, 2006 - * `"Training Restricted Boltzmann Machines using Approximations to - the Likelihood Gradient" - `_ - T. Tieleman, 2008 +* `"Training Restricted Boltzmann Machines using Approximations to + the Likelihood Gradient" + `_, + T. Tieleman, 2008 diff --git a/doc/modules/outlier_detection.rst b/doc/modules/outlier_detection.rst index d003b645eb19c..0c6891ed119bd 100644 --- a/doc/modules/outlier_detection.rst +++ b/doc/modules/outlier_detection.rst @@ -123,19 +123,19 @@ refer to the example :ref:`sphx_glr_auto_examples_miscellaneous_plot_anomaly_comparison.py` and the sections hereunder. -.. topic:: Examples: +.. rubric:: Examples - * See :ref:`sphx_glr_auto_examples_miscellaneous_plot_anomaly_comparison.py` - for a comparison of the :class:`svm.OneClassSVM`, the - :class:`ensemble.IsolationForest`, the - :class:`neighbors.LocalOutlierFactor` and - :class:`covariance.EllipticEnvelope`. +* See :ref:`sphx_glr_auto_examples_miscellaneous_plot_anomaly_comparison.py` + for a comparison of the :class:`svm.OneClassSVM`, the + :class:`ensemble.IsolationForest`, the + :class:`neighbors.LocalOutlierFactor` and + :class:`covariance.EllipticEnvelope`. - * See :ref:`sphx_glr_auto_examples_miscellaneous_plot_outlier_detection_bench.py` - for an example showing how to evaluate outlier detection estimators, - the :class:`neighbors.LocalOutlierFactor` and the - :class:`ensemble.IsolationForest`, using ROC curves from - :class:`metrics.RocCurveDisplay`. +* See :ref:`sphx_glr_auto_examples_miscellaneous_plot_outlier_detection_bench.py` + for an example showing how to evaluate outlier detection estimators, + the :class:`neighbors.LocalOutlierFactor` and the + :class:`ensemble.IsolationForest`, using ROC curves from + :class:`metrics.RocCurveDisplay`. Novelty Detection ================= @@ -167,18 +167,18 @@ implementation. The `nu` parameter, also known as the margin of the One-Class SVM, corresponds to the probability of finding a new, but regular, observation outside the frontier. -.. topic:: References: +.. rubric:: References - * `Estimating the support of a high-dimensional distribution - `_ - Schölkopf, Bernhard, et al. Neural computation 13.7 (2001): 1443-1471. +* `Estimating the support of a high-dimensional distribution + `_ + Schölkopf, Bernhard, et al. Neural computation 13.7 (2001): 1443-1471. -.. topic:: Examples: +.. rubric:: Examples - * See :ref:`sphx_glr_auto_examples_svm_plot_oneclass.py` for visualizing the - frontier learned around some data by a - :class:`svm.OneClassSVM` object. - * :ref:`sphx_glr_auto_examples_applications_plot_species_distribution_modeling.py` +* See :ref:`sphx_glr_auto_examples_svm_plot_oneclass.py` for visualizing the + frontier learned around some data by a :class:`svm.OneClassSVM` object. + +* :ref:`sphx_glr_auto_examples_applications_plot_species_distribution_modeling.py` .. figure:: ../auto_examples/svm/images/sphx_glr_plot_oneclass_001.png :target: ../auto_examples/svm/plot_oneclass.html @@ -196,11 +196,11 @@ approximate the solution of a kernelized :class:`svm.OneClassSVM` whose complexity is at best quadratic in the number of samples. See section :ref:`sgd_online_one_class_svm` for more details. -.. topic:: Examples: +.. rubric:: Examples - * See :ref:`sphx_glr_auto_examples_linear_model_plot_sgdocsvm_vs_ocsvm.py` - for an illustration of the approximation of a kernelized One-Class SVM - with the `linear_model.SGDOneClassSVM` combined with kernel approximation. +* See :ref:`sphx_glr_auto_examples_linear_model_plot_sgdocsvm_vs_ocsvm.py` + for an illustration of the approximation of a kernelized One-Class SVM + with the `linear_model.SGDOneClassSVM` combined with kernel approximation. Outlier Detection @@ -238,18 +238,18 @@ This strategy is illustrated below. :align: center :scale: 75% -.. topic:: Examples: +.. rubric:: Examples - * See :ref:`sphx_glr_auto_examples_covariance_plot_mahalanobis_distances.py` for - an illustration of the difference between using a standard - (:class:`covariance.EmpiricalCovariance`) or a robust estimate - (:class:`covariance.MinCovDet`) of location and covariance to - assess the degree of outlyingness of an observation. +* See :ref:`sphx_glr_auto_examples_covariance_plot_mahalanobis_distances.py` for + an illustration of the difference between using a standard + (:class:`covariance.EmpiricalCovariance`) or a robust estimate + (:class:`covariance.MinCovDet`) of location and covariance to + assess the degree of outlyingness of an observation. -.. topic:: References: +.. rubric:: References - * Rousseeuw, P.J., Van Driessen, K. "A fast algorithm for the minimum - covariance determinant estimator" Technometrics 41(3), 212 (1999) +* Rousseeuw, P.J., Van Driessen, K. "A fast algorithm for the minimum + covariance determinant estimator" Technometrics 41(3), 212 (1999) .. _isolation_forest: @@ -299,22 +299,22 @@ allows you to add more trees to an already fitted model:: >>> clf.set_params(n_estimators=20) # add 10 more trees # doctest: +SKIP >>> clf.fit(X) # fit the added trees # doctest: +SKIP -.. topic:: Examples: +.. rubric:: Examples - * See :ref:`sphx_glr_auto_examples_ensemble_plot_isolation_forest.py` for - an illustration of the use of IsolationForest. +* See :ref:`sphx_glr_auto_examples_ensemble_plot_isolation_forest.py` for + an illustration of the use of IsolationForest. - * See :ref:`sphx_glr_auto_examples_miscellaneous_plot_anomaly_comparison.py` - for a comparison of :class:`ensemble.IsolationForest` with - :class:`neighbors.LocalOutlierFactor`, - :class:`svm.OneClassSVM` (tuned to perform like an outlier detection - method), :class:`linear_model.SGDOneClassSVM`, and a covariance-based - outlier detection with :class:`covariance.EllipticEnvelope`. +* See :ref:`sphx_glr_auto_examples_miscellaneous_plot_anomaly_comparison.py` + for a comparison of :class:`ensemble.IsolationForest` with + :class:`neighbors.LocalOutlierFactor`, + :class:`svm.OneClassSVM` (tuned to perform like an outlier detection + method), :class:`linear_model.SGDOneClassSVM`, and a covariance-based + outlier detection with :class:`covariance.EllipticEnvelope`. -.. topic:: References: +.. rubric:: References - * Liu, Fei Tony, Ting, Kai Ming and Zhou, Zhi-Hua. "Isolation forest." - Data Mining, 2008. ICDM'08. Eighth IEEE International Conference on. +* Liu, Fei Tony, Ting, Kai Ming and Zhou, Zhi-Hua. "Isolation forest." + Data Mining, 2008. ICDM'08. Eighth IEEE International Conference on. .. _local_outlier_factor: @@ -370,20 +370,20 @@ This strategy is illustrated below. :align: center :scale: 75% -.. topic:: Examples: +.. rubric:: Examples - * See :ref:`sphx_glr_auto_examples_neighbors_plot_lof_outlier_detection.py` - for an illustration of the use of :class:`neighbors.LocalOutlierFactor`. +* See :ref:`sphx_glr_auto_examples_neighbors_plot_lof_outlier_detection.py` + for an illustration of the use of :class:`neighbors.LocalOutlierFactor`. - * See :ref:`sphx_glr_auto_examples_miscellaneous_plot_anomaly_comparison.py` - for a comparison with other anomaly detection methods. +* See :ref:`sphx_glr_auto_examples_miscellaneous_plot_anomaly_comparison.py` + for a comparison with other anomaly detection methods. -.. topic:: References: +.. rubric:: References - * Breunig, Kriegel, Ng, and Sander (2000) - `LOF: identifying density-based local outliers. - `_ - Proc. ACM SIGMOD +* Breunig, Kriegel, Ng, and Sander (2000) + `LOF: identifying density-based local outliers. + `_ + Proc. ACM SIGMOD .. _novelty_with_lof: diff --git a/doc/modules/partial_dependence.rst b/doc/modules/partial_dependence.rst index 94f7206140b90..40f691a9e6dcc 100644 --- a/doc/modules/partial_dependence.rst +++ b/doc/modules/partial_dependence.rst @@ -79,25 +79,21 @@ parameter takes a list of indices, names of the categorical features or a boolea mask. The graphical representation of partial dependence for categorical features is a bar plot or a 2D heatmap. -|details-start| -**PDPs for multi-class classification** -|details-split| - -For multi-class classification, you need to set the class label for which -the PDPs should be created via the ``target`` argument:: - - >>> from sklearn.datasets import load_iris - >>> iris = load_iris() - >>> mc_clf = GradientBoostingClassifier(n_estimators=10, - ... max_depth=1).fit(iris.data, iris.target) - >>> features = [3, 2, (3, 2)] - >>> PartialDependenceDisplay.from_estimator(mc_clf, X, features, target=0) - <...> +.. dropdown:: PDPs for multi-class classification + + For multi-class classification, you need to set the class label for which + the PDPs should be created via the ``target`` argument:: -The same parameter ``target`` is used to specify the target in multi-output -regression settings. + >>> from sklearn.datasets import load_iris + >>> iris = load_iris() + >>> mc_clf = GradientBoostingClassifier(n_estimators=10, + ... max_depth=1).fit(iris.data, iris.target) + >>> features = [3, 2, (3, 2)] + >>> PartialDependenceDisplay.from_estimator(mc_clf, X, features, target=0) + <...> -|details-end| + The same parameter ``target`` is used to specify the target in multi-output + regression settings. If you need the raw values of the partial dependence function rather than the plots, you can use the @@ -266,9 +262,9 @@ estimators that support it, and 'brute' is used for the rest. interpreting PDPs is that the features should be independent. -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_inspection_plot_partial_dependence.py` +* :ref:`sphx_glr_auto_examples_inspection_plot_partial_dependence.py` .. rubric:: Footnotes @@ -276,21 +272,20 @@ estimators that support it, and 'brute' is used for the rest. class (the positive class for binary classification), or the decision function. -.. topic:: References +.. rubric:: References - .. [H2009] T. Hastie, R. Tibshirani and J. Friedman, - `The Elements of Statistical Learning - `_, - Second Edition, Section 10.13.2, Springer, 2009. +.. [H2009] T. Hastie, R. Tibshirani and J. Friedman, + `The Elements of Statistical Learning + `_, + Second Edition, Section 10.13.2, Springer, 2009. - .. [M2019] C. Molnar, - `Interpretable Machine Learning - `_, - Section 5.1, 2019. +.. [M2019] C. Molnar, + `Interpretable Machine Learning + `_, + Section 5.1, 2019. - .. [G2015] :arxiv:`A. Goldstein, A. Kapelner, J. Bleich, and E. Pitkin, - "Peeking Inside the Black Box: Visualizing Statistical - Learning With Plots of Individual Conditional Expectation" - Journal of Computational and Graphical Statistics, - 24(1): 44-65, Springer, 2015. - <1309.6392>` +.. [G2015] :arxiv:`A. Goldstein, A. Kapelner, J. Bleich, and E. Pitkin, + "Peeking Inside the Black Box: Visualizing Statistical + Learning With Plots of Individual Conditional Expectation" + Journal of Computational and Graphical Statistics, + 24(1): 44-65, Springer, 2015. <1309.6392>` diff --git a/doc/modules/permutation_importance.rst b/doc/modules/permutation_importance.rst index 368c6a6409aa0..12a20a8bcaa6c 100644 --- a/doc/modules/permutation_importance.rst +++ b/doc/modules/permutation_importance.rst @@ -110,48 +110,44 @@ which is more computationally efficient than sequentially calling :func:`permutation_importance` several times with a different scorer, as it reuses model predictions. -|details-start| -**Example of permutation feature importance using multiple scorers** -|details-split| - -In the example below we use a list of metrics, but more input formats are -possible, as documented in :ref:`multimetric_scoring`. - - >>> scoring = ['r2', 'neg_mean_absolute_percentage_error', 'neg_mean_squared_error'] - >>> r_multi = permutation_importance( - ... model, X_val, y_val, n_repeats=30, random_state=0, scoring=scoring) - ... - >>> for metric in r_multi: - ... print(f"{metric}") - ... r = r_multi[metric] - ... for i in r.importances_mean.argsort()[::-1]: - ... if r.importances_mean[i] - 2 * r.importances_std[i] > 0: - ... print(f" {diabetes.feature_names[i]:<8}" - ... f"{r.importances_mean[i]:.3f}" - ... f" +/- {r.importances_std[i]:.3f}") - ... - r2 - s5 0.204 +/- 0.050 - bmi 0.176 +/- 0.048 - bp 0.088 +/- 0.033 - sex 0.056 +/- 0.023 - neg_mean_absolute_percentage_error - s5 0.081 +/- 0.020 - bmi 0.064 +/- 0.015 - bp 0.029 +/- 0.010 - neg_mean_squared_error - s5 1013.866 +/- 246.445 - bmi 872.726 +/- 240.298 - bp 438.663 +/- 163.022 - sex 277.376 +/- 115.123 - -The ranking of the features is approximately the same for different metrics even -if the scales of the importance values are very different. However, this is not -guaranteed and different metrics might lead to significantly different feature -importances, in particular for models trained for imbalanced classification problems, -for which **the choice of the classification metric can be critical**. - -|details-end| +.. dropdown:: Example of permutation feature importance using multiple scorers + + In the example below we use a list of metrics, but more input formats are + possible, as documented in :ref:`multimetric_scoring`. + + >>> scoring = ['r2', 'neg_mean_absolute_percentage_error', 'neg_mean_squared_error'] + >>> r_multi = permutation_importance( + ... model, X_val, y_val, n_repeats=30, random_state=0, scoring=scoring) + ... + >>> for metric in r_multi: + ... print(f"{metric}") + ... r = r_multi[metric] + ... for i in r.importances_mean.argsort()[::-1]: + ... if r.importances_mean[i] - 2 * r.importances_std[i] > 0: + ... print(f" {diabetes.feature_names[i]:<8}" + ... f"{r.importances_mean[i]:.3f}" + ... f" +/- {r.importances_std[i]:.3f}") + ... + r2 + s5 0.204 +/- 0.050 + bmi 0.176 +/- 0.048 + bp 0.088 +/- 0.033 + sex 0.056 +/- 0.023 + neg_mean_absolute_percentage_error + s5 0.081 +/- 0.020 + bmi 0.064 +/- 0.015 + bp 0.029 +/- 0.010 + neg_mean_squared_error + s5 1013.866 +/- 246.445 + bmi 872.726 +/- 240.298 + bp 438.663 +/- 163.022 + sex 277.376 +/- 115.123 + + The ranking of the features is approximately the same for different metrics even + if the scales of the importance values are very different. However, this is not + guaranteed and different metrics might lead to significantly different feature + importances, in particular for models trained for imbalanced classification problems, + for which **the choice of the classification metric can be critical**. Outline of the permutation importance algorithm ----------------------------------------------- @@ -228,12 +224,12 @@ keep one feature from each cluster. For more details on such strategy, see the example :ref:`sphx_glr_auto_examples_inspection_plot_permutation_importance_multicollinear.py`. -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_inspection_plot_permutation_importance.py` - * :ref:`sphx_glr_auto_examples_inspection_plot_permutation_importance_multicollinear.py` +* :ref:`sphx_glr_auto_examples_inspection_plot_permutation_importance.py` +* :ref:`sphx_glr_auto_examples_inspection_plot_permutation_importance_multicollinear.py` -.. topic:: References: +.. rubric:: References - .. [1] L. Breiman, :doi:`"Random Forests" <10.1023/A:1010933404324>`, - Machine Learning, 45(1), 5-32, 2001. +.. [1] L. Breiman, :doi:`"Random Forests" <10.1023/A:1010933404324>`, + Machine Learning, 45(1), 5-32, 2001. diff --git a/doc/modules/preprocessing.rst b/doc/modules/preprocessing.rst index 99678f2b3e45b..90889ad5af7e0 100644 --- a/doc/modules/preprocessing.rst +++ b/doc/modules/preprocessing.rst @@ -219,28 +219,22 @@ of the data is likely to not work very well. In these cases, you can use :class:`RobustScaler` as a drop-in replacement instead. It uses more robust estimates for the center and range of your data. -|details-start| -**References** -|details-split| -Further discussion on the importance of centering and scaling data is -available on this FAQ: `Should I normalize/standardize/rescale the data? -`_ +.. dropdown:: References -|details-end| + Further discussion on the importance of centering and scaling data is + available on this FAQ: `Should I normalize/standardize/rescale the data? + `_ -|details-start| -**Scaling vs Whitening** -|details-split| +.. dropdown:: Scaling vs Whitening -It is sometimes not enough to center and scale the features -independently, since a downstream model can further make some assumption -on the linear independence of the features. + It is sometimes not enough to center and scale the features + independently, since a downstream model can further make some assumption + on the linear independence of the features. -To address this issue you can use :class:`~sklearn.decomposition.PCA` with -``whiten=True`` to further remove the linear correlation across features. + To address this issue you can use :class:`~sklearn.decomposition.PCA` with + ``whiten=True`` to further remove the linear correlation across features. -|details-end| .. _kernel_centering: @@ -255,63 +249,59 @@ followed by the removal of the mean in that space. In other words, :class:`KernelCenterer` computes the centered Gram matrix associated to a positive semidefinite kernel :math:`K`. -|details-start| -**Mathematical formulation** -|details-split| +.. dropdown:: Mathematical formulation -We can have a look at the mathematical formulation now that we have the -intuition. Let :math:`K` be a kernel matrix of shape `(n_samples, n_samples)` -computed from :math:`X`, a data matrix of shape `(n_samples, n_features)`, -during the `fit` step. :math:`K` is defined by + We can have a look at the mathematical formulation now that we have the + intuition. Let :math:`K` be a kernel matrix of shape `(n_samples, n_samples)` + computed from :math:`X`, a data matrix of shape `(n_samples, n_features)`, + during the `fit` step. :math:`K` is defined by -.. math:: - K(X, X) = \phi(X) . \phi(X)^{T} + .. math:: + K(X, X) = \phi(X) . \phi(X)^{T} -:math:`\phi(X)` is a function mapping of :math:`X` to a Hilbert space. A -centered kernel :math:`\tilde{K}` is defined as: + :math:`\phi(X)` is a function mapping of :math:`X` to a Hilbert space. A + centered kernel :math:`\tilde{K}` is defined as: -.. math:: - \tilde{K}(X, X) = \tilde{\phi}(X) . \tilde{\phi}(X)^{T} + .. math:: + \tilde{K}(X, X) = \tilde{\phi}(X) . \tilde{\phi}(X)^{T} -where :math:`\tilde{\phi}(X)` results from centering :math:`\phi(X)` in the -Hilbert space. + where :math:`\tilde{\phi}(X)` results from centering :math:`\phi(X)` in the + Hilbert space. -Thus, one could compute :math:`\tilde{K}` by mapping :math:`X` using the -function :math:`\phi(\cdot)` and center the data in this new space. However, -kernels are often used because they allows some algebra calculations that -avoid computing explicitly this mapping using :math:`\phi(\cdot)`. Indeed, one -can implicitly center as shown in Appendix B in [Scholkopf1998]_: + Thus, one could compute :math:`\tilde{K}` by mapping :math:`X` using the + function :math:`\phi(\cdot)` and center the data in this new space. However, + kernels are often used because they allows some algebra calculations that + avoid computing explicitly this mapping using :math:`\phi(\cdot)`. Indeed, one + can implicitly center as shown in Appendix B in [Scholkopf1998]_: -.. math:: - \tilde{K} = K - 1_{\text{n}_{samples}} K - K 1_{\text{n}_{samples}} + 1_{\text{n}_{samples}} K 1_{\text{n}_{samples}} + .. math:: + \tilde{K} = K - 1_{\text{n}_{samples}} K - K 1_{\text{n}_{samples}} + 1_{\text{n}_{samples}} K 1_{\text{n}_{samples}} -:math:`1_{\text{n}_{samples}}` is a matrix of `(n_samples, n_samples)` where -all entries are equal to :math:`\frac{1}{\text{n}_{samples}}`. In the -`transform` step, the kernel becomes :math:`K_{test}(X, Y)` defined as: + :math:`1_{\text{n}_{samples}}` is a matrix of `(n_samples, n_samples)` where + all entries are equal to :math:`\frac{1}{\text{n}_{samples}}`. In the + `transform` step, the kernel becomes :math:`K_{test}(X, Y)` defined as: -.. math:: - K_{test}(X, Y) = \phi(Y) . \phi(X)^{T} + .. math:: + K_{test}(X, Y) = \phi(Y) . \phi(X)^{T} -:math:`Y` is the test dataset of shape `(n_samples_test, n_features)` and thus -:math:`K_{test}` is of shape `(n_samples_test, n_samples)`. In this case, -centering :math:`K_{test}` is done as: + :math:`Y` is the test dataset of shape `(n_samples_test, n_features)` and thus + :math:`K_{test}` is of shape `(n_samples_test, n_samples)`. In this case, + centering :math:`K_{test}` is done as: -.. math:: - \tilde{K}_{test}(X, Y) = K_{test} - 1'_{\text{n}_{samples}} K - K_{test} 1_{\text{n}_{samples}} + 1'_{\text{n}_{samples}} K 1_{\text{n}_{samples}} + .. math:: + \tilde{K}_{test}(X, Y) = K_{test} - 1'_{\text{n}_{samples}} K - K_{test} 1_{\text{n}_{samples}} + 1'_{\text{n}_{samples}} K 1_{\text{n}_{samples}} -:math:`1'_{\text{n}_{samples}}` is a matrix of shape -`(n_samples_test, n_samples)` where all entries are equal to -:math:`\frac{1}{\text{n}_{samples}}`. + :math:`1'_{\text{n}_{samples}}` is a matrix of shape + `(n_samples_test, n_samples)` where all entries are equal to + :math:`\frac{1}{\text{n}_{samples}}`. -.. topic:: References + .. rubric:: References .. [Scholkopf1998] B. Schölkopf, A. Smola, and K.R. Müller, `"Nonlinear component analysis as a kernel eigenvalue problem." `_ Neural computation 10.5 (1998): 1299-1319. -|details-end| - .. _preprocessing_transformer: Non-linear transformation @@ -383,54 +373,46 @@ possible in order to stabilize variance and minimize skewness. :class:`PowerTransformer` currently provides two such power transformations, the Yeo-Johnson transform and the Box-Cox transform. -|details-start| -**Yeo-Johnson transform** -|details-split| - -.. math:: - x_i^{(\lambda)} = - \begin{cases} - [(x_i + 1)^\lambda - 1] / \lambda & \text{if } \lambda \neq 0, x_i \geq 0, \\[8pt] - \ln{(x_i + 1)} & \text{if } \lambda = 0, x_i \geq 0 \\[8pt] - -[(-x_i + 1)^{2 - \lambda} - 1] / (2 - \lambda) & \text{if } \lambda \neq 2, x_i < 0, \\[8pt] - - \ln (- x_i + 1) & \text{if } \lambda = 2, x_i < 0 - \end{cases} - -|details-end| - -|details-start| -**Box-Cox transform** -|details-split| - -.. math:: - x_i^{(\lambda)} = - \begin{cases} - \dfrac{x_i^\lambda - 1}{\lambda} & \text{if } \lambda \neq 0, \\[8pt] - \ln{(x_i)} & \text{if } \lambda = 0, - \end{cases} - - -Box-Cox can only be applied to strictly positive data. In both methods, the -transformation is parameterized by :math:`\lambda`, which is determined through -maximum likelihood estimation. Here is an example of using Box-Cox to map -samples drawn from a lognormal distribution to a normal distribution:: - - >>> pt = preprocessing.PowerTransformer(method='box-cox', standardize=False) - >>> X_lognormal = np.random.RandomState(616).lognormal(size=(3, 3)) - >>> X_lognormal - array([[1.28..., 1.18..., 0.84...], - [0.94..., 1.60..., 0.38...], - [1.35..., 0.21..., 1.09...]]) - >>> pt.fit_transform(X_lognormal) - array([[ 0.49..., 0.17..., -0.15...], - [-0.05..., 0.58..., -0.57...], - [ 0.69..., -0.84..., 0.10...]]) - -While the above example sets the `standardize` option to `False`, -:class:`PowerTransformer` will apply zero-mean, unit-variance normalization -to the transformed output by default. - -|details-end| +.. dropdown:: Yeo-Johnson transform + + .. math:: + x_i^{(\lambda)} = + \begin{cases} + [(x_i + 1)^\lambda - 1] / \lambda & \text{if } \lambda \neq 0, x_i \geq 0, \\[8pt] + \ln{(x_i + 1)} & \text{if } \lambda = 0, x_i \geq 0 \\[8pt] + -[(-x_i + 1)^{2 - \lambda} - 1] / (2 - \lambda) & \text{if } \lambda \neq 2, x_i < 0, \\[8pt] + - \ln (- x_i + 1) & \text{if } \lambda = 2, x_i < 0 + \end{cases} + +.. dropdown:: Box-Cox transform + + .. math:: + x_i^{(\lambda)} = + \begin{cases} + \dfrac{x_i^\lambda - 1}{\lambda} & \text{if } \lambda \neq 0, \\[8pt] + \ln{(x_i)} & \text{if } \lambda = 0, + \end{cases} + + Box-Cox can only be applied to strictly positive data. In both methods, the + transformation is parameterized by :math:`\lambda`, which is determined through + maximum likelihood estimation. Here is an example of using Box-Cox to map + samples drawn from a lognormal distribution to a normal distribution:: + + >>> pt = preprocessing.PowerTransformer(method='box-cox', standardize=False) + >>> X_lognormal = np.random.RandomState(616).lognormal(size=(3, 3)) + >>> X_lognormal + array([[1.28..., 1.18..., 0.84...], + [0.94..., 1.60..., 0.38...], + [1.35..., 0.21..., 1.09...]]) + >>> pt.fit_transform(X_lognormal) + array([[ 0.49..., 0.17..., -0.15...], + [-0.05..., 0.58..., -0.57...], + [ 0.69..., -0.84..., 0.10...]]) + + While the above example sets the `standardize` option to `False`, + :class:`PowerTransformer` will apply zero-mean, unit-variance normalization + to the transformed output by default. + Below are examples of Box-Cox and Yeo-Johnson applied to various probability distributions. Note that when applied to certain distributions, the power @@ -518,9 +500,8 @@ The normalizer instance can then be used on sample vectors as any transformer:: Note: L2 normalization is also known as spatial sign preprocessing. -|details-start| -**Sparse input** -|details-split| +.. dropdown:: Sparse input + :func:`normalize` and :class:`Normalizer` accept **both dense array-like and sparse matrices from scipy.sparse as input**. @@ -529,12 +510,11 @@ Note: L2 normalization is also known as spatial sign preprocessing. efficient Cython routines. To avoid unnecessary memory copies, it is recommended to choose the CSR representation upstream. -|details-end| - .. _preprocessing_categorical_features: Encoding categorical features ============================= + Often features are not given as continuous values but categorical. For example a person could have features ``["male", "female"]``, ``["from Europe", "from US", "from Asia"]``, @@ -721,42 +701,39 @@ not dropped:: >>> drop_enc.inverse_transform(X_trans) array([['female', None, None]], dtype=object) -|details-start| -**Support of categorical features with missing values** -|details-split| +.. dropdown:: Support of categorical features with missing values -:class:`OneHotEncoder` supports categorical features with missing values by -considering the missing values as an additional category:: + :class:`OneHotEncoder` supports categorical features with missing values by + considering the missing values as an additional category:: - >>> X = [['male', 'Safari'], - ... ['female', None], - ... [np.nan, 'Firefox']] - >>> enc = preprocessing.OneHotEncoder(handle_unknown='error').fit(X) - >>> enc.categories_ - [array(['female', 'male', nan], dtype=object), - array(['Firefox', 'Safari', None], dtype=object)] - >>> enc.transform(X).toarray() - array([[0., 1., 0., 0., 1., 0.], - [1., 0., 0., 0., 0., 1.], - [0., 0., 1., 1., 0., 0.]]) - -If a feature contains both `np.nan` and `None`, they will be considered -separate categories:: - - >>> X = [['Safari'], [None], [np.nan], ['Firefox']] - >>> enc = preprocessing.OneHotEncoder(handle_unknown='error').fit(X) - >>> enc.categories_ - [array(['Firefox', 'Safari', None, nan], dtype=object)] - >>> enc.transform(X).toarray() - array([[0., 1., 0., 0.], - [0., 0., 1., 0.], - [0., 0., 0., 1.], - [1., 0., 0., 0.]]) + >>> X = [['male', 'Safari'], + ... ['female', None], + ... [np.nan, 'Firefox']] + >>> enc = preprocessing.OneHotEncoder(handle_unknown='error').fit(X) + >>> enc.categories_ + [array(['female', 'male', nan], dtype=object), + array(['Firefox', 'Safari', None], dtype=object)] + >>> enc.transform(X).toarray() + array([[0., 1., 0., 0., 1., 0.], + [1., 0., 0., 0., 0., 1.], + [0., 0., 1., 1., 0., 0.]]) + + If a feature contains both `np.nan` and `None`, they will be considered + separate categories:: + + >>> X = [['Safari'], [None], [np.nan], ['Firefox']] + >>> enc = preprocessing.OneHotEncoder(handle_unknown='error').fit(X) + >>> enc.categories_ + [array(['Firefox', 'Safari', None, nan], dtype=object)] + >>> enc.transform(X).toarray() + array([[0., 1., 0., 0.], + [0., 0., 1., 0.], + [0., 0., 0., 1.], + [1., 0., 0., 0.]]) -See :ref:`dict_feature_extraction` for categorical features that are -represented as a dict, not as scalars. + See :ref:`dict_feature_extraction` for categorical features that are + represented as a dict, not as scalars. -|details-end| .. _encoder_infrequent_categories: @@ -910,66 +887,55 @@ cardinality, where one-hot encoding would inflate the feature space making it more expensive for a downstream model to process. A classical example of high cardinality categories are location based such as zip code or region. -|details-start| -**Binary classification targets** -|details-split| - -For the binary classification target, the target encoding is given by: - -.. math:: - S_i = \lambda_i\frac{n_{iY}}{n_i} + (1 - \lambda_i)\frac{n_Y}{n} +.. dropdown:: Binary classification targets -where :math:`S_i` is the encoding for category :math:`i`, :math:`n_{iY}` is the -number of observations with :math:`Y=1` and category :math:`i`, :math:`n_i` is -the number of observations with category :math:`i`, :math:`n_Y` is the number of -observations with :math:`Y=1`, :math:`n` is the number of observations, and -:math:`\lambda_i` is a shrinkage factor for category :math:`i`. The shrinkage -factor is given by: + For the binary classification target, the target encoding is given by: -.. math:: - \lambda_i = \frac{n_i}{m + n_i} + .. math:: + S_i = \lambda_i\frac{n_{iY}}{n_i} + (1 - \lambda_i)\frac{n_Y}{n} -where :math:`m` is a smoothing factor, which is controlled with the `smooth` -parameter in :class:`TargetEncoder`. Large smoothing factors will put more -weight on the global mean. When `smooth="auto"`, the smoothing factor is -computed as an empirical Bayes estimate: :math:`m=\sigma_i^2/\tau^2`, where -:math:`\sigma_i^2` is the variance of `y` with category :math:`i` and -:math:`\tau^2` is the global variance of `y`. + where :math:`S_i` is the encoding for category :math:`i`, :math:`n_{iY}` is the + number of observations with :math:`Y=1` and category :math:`i`, :math:`n_i` is + the number of observations with category :math:`i`, :math:`n_Y` is the number of + observations with :math:`Y=1`, :math:`n` is the number of observations, and + :math:`\lambda_i` is a shrinkage factor for category :math:`i`. The shrinkage + factor is given by: -|details-end| + .. math:: + \lambda_i = \frac{n_i}{m + n_i} -|details-start| -**Multiclass classification targets** -|details-split| + where :math:`m` is a smoothing factor, which is controlled with the `smooth` + parameter in :class:`TargetEncoder`. Large smoothing factors will put more + weight on the global mean. When `smooth="auto"`, the smoothing factor is + computed as an empirical Bayes estimate: :math:`m=\sigma_i^2/\tau^2`, where + :math:`\sigma_i^2` is the variance of `y` with category :math:`i` and + :math:`\tau^2` is the global variance of `y`. -For multiclass classification targets, the formulation is similar to binary -classification: +.. dropdown:: Multiclass classification targets -.. math:: - S_{ij} = \lambda_i\frac{n_{iY_j}}{n_i} + (1 - \lambda_i)\frac{n_{Y_j}}{n} + For multiclass classification targets, the formulation is similar to binary + classification: -where :math:`S_{ij}` is the encoding for category :math:`i` and class :math:`j`, -:math:`n_{iY_j}` is the number of observations with :math:`Y=j` and category -:math:`i`, :math:`n_i` is the number of observations with category :math:`i`, -:math:`n_{Y_j}` is the number of observations with :math:`Y=j`, :math:`n` is the -number of observations, and :math:`\lambda_i` is a shrinkage factor for category -:math:`i`. + .. math:: + S_{ij} = \lambda_i\frac{n_{iY_j}}{n_i} + (1 - \lambda_i)\frac{n_{Y_j}}{n} -|details-end| + where :math:`S_{ij}` is the encoding for category :math:`i` and class :math:`j`, + :math:`n_{iY_j}` is the number of observations with :math:`Y=j` and category + :math:`i`, :math:`n_i` is the number of observations with category :math:`i`, + :math:`n_{Y_j}` is the number of observations with :math:`Y=j`, :math:`n` is the + number of observations, and :math:`\lambda_i` is a shrinkage factor for category + :math:`i`. -|details-start| -**Continuous targets** -|details-split| +.. dropdown:: Continuous targets -For continuous targets, the formulation is similar to binary classification: + For continuous targets, the formulation is similar to binary classification: -.. math:: - S_i = \lambda_i\frac{\sum_{k\in L_i}Y_k}{n_i} + (1 - \lambda_i)\frac{\sum_{k=1}^{n}Y_k}{n} + .. math:: + S_i = \lambda_i\frac{\sum_{k\in L_i}Y_k}{n_i} + (1 - \lambda_i)\frac{\sum_{k=1}^{n}Y_k}{n} -where :math:`L_i` is the set of observations with category :math:`i` and -:math:`n_i` is the number of observations with category :math:`i`. + where :math:`L_i` is the set of observations with category :math:`i` and + :math:`n_i` is the number of observations with category :math:`i`. -|details-end| :meth:`~TargetEncoder.fit_transform` internally relies on a :term:`cross fitting` scheme to prevent target information from leaking into the train-time @@ -1005,21 +971,21 @@ encoding learned in :meth:`~TargetEncoder.fit_transform`. that are not seen during `fit` are encoded with the target mean, i.e. `target_mean_`. -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_preprocessing_plot_target_encoder.py` - * :ref:`sphx_glr_auto_examples_preprocessing_plot_target_encoder_cross_val.py` +* :ref:`sphx_glr_auto_examples_preprocessing_plot_target_encoder.py` +* :ref:`sphx_glr_auto_examples_preprocessing_plot_target_encoder_cross_val.py` -.. topic:: References +.. rubric:: References - .. [MIC] :doi:`Micci-Barreca, Daniele. "A preprocessing scheme for high-cardinality - categorical attributes in classification and prediction problems" - SIGKDD Explor. Newsl. 3, 1 (July 2001), 27–32. <10.1145/507533.507538>` +.. [MIC] :doi:`Micci-Barreca, Daniele. "A preprocessing scheme for high-cardinality + categorical attributes in classification and prediction problems" + SIGKDD Explor. Newsl. 3, 1 (July 2001), 27-32. <10.1145/507533.507538>` - .. [PAR] :doi:`Pargent, F., Pfisterer, F., Thomas, J. et al. "Regularized target - encoding outperforms traditional methods in supervised machine learning with - high cardinality features" Comput Stat 37, 2671–2692 (2022) - <10.1007/s00180-022-01207-6>` +.. [PAR] :doi:`Pargent, F., Pfisterer, F., Thomas, J. et al. "Regularized target + encoding outperforms traditional methods in supervised machine learning with + high cardinality features" Comput Stat 37, 2671-2692 (2022) + <10.1007/s00180-022-01207-6>` .. _preprocessing_discretization: @@ -1097,11 +1063,11 @@ For instance, we can use the Pandas function :func:`pandas.cut`:: ['infant', 'kid', 'teen', 'adult', 'senior citizen'] Categories (5, object): ['infant' < 'kid' < 'teen' < 'adult' < 'senior citizen'] -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_preprocessing_plot_discretization.py` - * :ref:`sphx_glr_auto_examples_preprocessing_plot_discretization_classification.py` - * :ref:`sphx_glr_auto_examples_preprocessing_plot_discretization_strategies.py` +* :ref:`sphx_glr_auto_examples_preprocessing_plot_discretization.py` +* :ref:`sphx_glr_auto_examples_preprocessing_plot_discretization_classification.py` +* :ref:`sphx_glr_auto_examples_preprocessing_plot_discretization_strategies.py` .. _preprocessing_binarization: @@ -1294,23 +1260,20 @@ Interestingly, a :class:`SplineTransformer` of ``degree=0`` is the same as ``encode='onehot-dense'`` and ``n_bins = n_knots - 1`` if ``knots = strategy``. -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_linear_model_plot_polynomial_interpolation.py` - * :ref:`sphx_glr_auto_examples_applications_plot_cyclical_feature_engineering.py` +* :ref:`sphx_glr_auto_examples_linear_model_plot_polynomial_interpolation.py` +* :ref:`sphx_glr_auto_examples_applications_plot_cyclical_feature_engineering.py` -|details-start| -**References** -|details-split| +.. dropdown:: References - * Eilers, P., & Marx, B. (1996). :doi:`Flexible Smoothing with B-splines and - Penalties <10.1214/ss/1038425655>`. Statist. Sci. 11 (1996), no. 2, 89--121. + * Eilers, P., & Marx, B. (1996). :doi:`Flexible Smoothing with B-splines and + Penalties <10.1214/ss/1038425655>`. Statist. Sci. 11 (1996), no. 2, 89--121. - * Perperoglou, A., Sauerbrei, W., Abrahamowicz, M. et al. :doi:`A review of - spline function procedures in R <10.1186/s12874-019-0666-3>`. - BMC Med Res Methodol 19, 46 (2019). + * Perperoglou, A., Sauerbrei, W., Abrahamowicz, M. et al. :doi:`A review of + spline function procedures in R <10.1186/s12874-019-0666-3>`. + BMC Med Res Methodol 19, 46 (2019). -|details-end| .. _function_transformer: diff --git a/doc/modules/random_projection.rst b/doc/modules/random_projection.rst index 6931feb34ad1d..173aee434576c 100644 --- a/doc/modules/random_projection.rst +++ b/doc/modules/random_projection.rst @@ -19,19 +19,19 @@ samples of the dataset. Thus random projection is a suitable approximation technique for distance based method. -.. topic:: References: +.. rubric:: References - * Sanjoy Dasgupta. 2000. - `Experiments with random projection. `_ - In Proceedings of the Sixteenth conference on Uncertainty in artificial - intelligence (UAI'00), Craig Boutilier and Moisés Goldszmidt (Eds.). Morgan - Kaufmann Publishers Inc., San Francisco, CA, USA, 143-151. +* Sanjoy Dasgupta. 2000. + `Experiments with random projection. `_ + In Proceedings of the Sixteenth conference on Uncertainty in artificial + intelligence (UAI'00), Craig Boutilier and Moisés Goldszmidt (Eds.). Morgan + Kaufmann Publishers Inc., San Francisco, CA, USA, 143-151. - * Ella Bingham and Heikki Mannila. 2001. - `Random projection in dimensionality reduction: applications to image and text data. `_ - In Proceedings of the seventh ACM SIGKDD international conference on - Knowledge discovery and data mining (KDD '01). ACM, New York, NY, USA, - 245-250. +* Ella Bingham and Heikki Mannila. 2001. + `Random projection in dimensionality reduction: applications to image and text data. `_ + In Proceedings of the seventh ACM SIGKDD international conference on + Knowledge discovery and data mining (KDD '01). ACM, New York, NY, USA, + 245-250. .. _johnson_lindenstrauss: @@ -74,17 +74,17 @@ bounded distortion introduced by the random projection:: :scale: 75 :align: center -.. topic:: Example: +.. rubric:: Examples - * See :ref:`sphx_glr_auto_examples_miscellaneous_plot_johnson_lindenstrauss_bound.py` - for a theoretical explication on the Johnson-Lindenstrauss lemma and an - empirical validation using sparse random matrices. +* See :ref:`sphx_glr_auto_examples_miscellaneous_plot_johnson_lindenstrauss_bound.py` + for a theoretical explication on the Johnson-Lindenstrauss lemma and an + empirical validation using sparse random matrices. -.. topic:: References: +.. rubric:: References - * Sanjoy Dasgupta and Anupam Gupta, 1999. - `An elementary proof of the Johnson-Lindenstrauss Lemma. - `_ +* Sanjoy Dasgupta and Anupam Gupta, 1999. + `An elementary proof of the Johnson-Lindenstrauss Lemma. + `_ .. _gaussian_random_matrix: @@ -148,18 +148,17 @@ projection transformer:: (100, 3947) -.. topic:: References: +.. rubric:: References - * D. Achlioptas. 2003. - `Database-friendly random projections: Johnson-Lindenstrauss with binary - coins `_. - Journal of Computer and System Sciences 66 (2003) 671–687 +* D. Achlioptas. 2003. + `Database-friendly random projections: Johnson-Lindenstrauss with binary + coins `_. + Journal of Computer and System Sciences 66 (2003) 671-687. - * Ping Li, Trevor J. Hastie, and Kenneth W. Church. 2006. - `Very sparse random projections. `_ - In Proceedings of the 12th ACM SIGKDD international conference on - Knowledge discovery and data mining (KDD '06). ACM, New York, NY, USA, - 287-296. +* Ping Li, Trevor J. Hastie, and Kenneth W. Church. 2006. + `Very sparse random projections. `_ + In Proceedings of the 12th ACM SIGKDD international conference on + Knowledge discovery and data mining (KDD '06). ACM, New York, NY, USA, 287-296. .. _random_projection_inverse_transform: diff --git a/doc/modules/semi_supervised.rst b/doc/modules/semi_supervised.rst index f8cae0a9ddcdf..8ba33638c6eec 100644 --- a/doc/modules/semi_supervised.rst +++ b/doc/modules/semi_supervised.rst @@ -60,18 +60,18 @@ until all samples have labels or no new samples are selected in that iteration. When using the self-training classifier, the :ref:`calibration ` of the classifier is important. -.. topic:: Examples +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_semi_supervised_plot_self_training_varying_threshold.py` - * :ref:`sphx_glr_auto_examples_semi_supervised_plot_semi_supervised_versus_svm_iris.py` +* :ref:`sphx_glr_auto_examples_semi_supervised_plot_self_training_varying_threshold.py` +* :ref:`sphx_glr_auto_examples_semi_supervised_plot_semi_supervised_versus_svm_iris.py` -.. topic:: References +.. rubric:: References - .. [1] :doi:`"Unsupervised word sense disambiguation rivaling supervised methods" - <10.3115/981658.981684>` - David Yarowsky, Proceedings of the 33rd annual meeting on Association for - Computational Linguistics (ACL '95). Association for Computational Linguistics, - Stroudsburg, PA, USA, 189-196. +.. [1] :doi:`"Unsupervised word sense disambiguation rivaling supervised methods" + <10.3115/981658.981684>` + David Yarowsky, Proceedings of the 33rd annual meeting on Association for + Computational Linguistics (ACL '95). Association for Computational Linguistics, + Stroudsburg, PA, USA, 189-196. .. _label_propagation: @@ -134,18 +134,18 @@ algorithm can lead to prohibitively long running times. On the other hand, the KNN kernel will produce a much more memory-friendly sparse matrix which can drastically reduce running times. -.. topic:: Examples +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_semi_supervised_plot_semi_supervised_versus_svm_iris.py` - * :ref:`sphx_glr_auto_examples_semi_supervised_plot_label_propagation_structure.py` - * :ref:`sphx_glr_auto_examples_semi_supervised_plot_label_propagation_digits.py` - * :ref:`sphx_glr_auto_examples_semi_supervised_plot_label_propagation_digits_active_learning.py` +* :ref:`sphx_glr_auto_examples_semi_supervised_plot_semi_supervised_versus_svm_iris.py` +* :ref:`sphx_glr_auto_examples_semi_supervised_plot_label_propagation_structure.py` +* :ref:`sphx_glr_auto_examples_semi_supervised_plot_label_propagation_digits.py` +* :ref:`sphx_glr_auto_examples_semi_supervised_plot_label_propagation_digits_active_learning.py` -.. topic:: References +.. rubric:: References - [2] Yoshua Bengio, Olivier Delalleau, Nicolas Le Roux. In Semi-Supervised - Learning (2006), pp. 193-216 +[2] Yoshua Bengio, Olivier Delalleau, Nicolas Le Roux. In Semi-Supervised +Learning (2006), pp. 193-216 - [3] Olivier Delalleau, Yoshua Bengio, Nicolas Le Roux. Efficient - Non-Parametric Function Induction in Semi-Supervised Learning. AISTAT 2005 - https://www.gatsby.ucl.ac.uk/aistats/fullpapers/204.pdf +[3] Olivier Delalleau, Yoshua Bengio, Nicolas Le Roux. Efficient +Non-Parametric Function Induction in Semi-Supervised Learning. AISTAT 2005 +https://www.gatsby.ucl.ac.uk/aistats/fullpapers/204.pdf diff --git a/doc/modules/sgd.rst b/doc/modules/sgd.rst index a7981e9d4ec28..73df123b4ed19 100644 --- a/doc/modules/sgd.rst +++ b/doc/modules/sgd.rst @@ -189,14 +189,14 @@ For classification with a logistic loss, another variant of SGD with an averaging strategy is available with Stochastic Average Gradient (SAG) algorithm, available as a solver in :class:`LogisticRegression`. -.. topic:: Examples: +.. rubric:: Examples - - :ref:`sphx_glr_auto_examples_linear_model_plot_sgd_separating_hyperplane.py`, - - :ref:`sphx_glr_auto_examples_linear_model_plot_sgd_iris.py` - - :ref:`sphx_glr_auto_examples_linear_model_plot_sgd_weighted_samples.py` - - :ref:`sphx_glr_auto_examples_linear_model_plot_sgd_comparison.py` - - :ref:`sphx_glr_auto_examples_svm_plot_separating_hyperplane_unbalanced.py` - (See the Note in the example) +- :ref:`sphx_glr_auto_examples_linear_model_plot_sgd_separating_hyperplane.py` +- :ref:`sphx_glr_auto_examples_linear_model_plot_sgd_iris.py` +- :ref:`sphx_glr_auto_examples_linear_model_plot_sgd_weighted_samples.py` +- :ref:`sphx_glr_auto_examples_linear_model_plot_sgd_comparison.py` +- :ref:`sphx_glr_auto_examples_svm_plot_separating_hyperplane_unbalanced.py` + (See the Note in the example) Regression ========== @@ -249,44 +249,40 @@ quadratic in the number of samples. with a large number of training samples (> 10,000) for which the SGD variant can be several orders of magnitude faster. -|details-start| -**Mathematical details** -|details-split| +.. dropdown:: Mathematical details -Its implementation is based on the implementation of the stochastic -gradient descent. Indeed, the original optimization problem of the One-Class -SVM is given by + Its implementation is based on the implementation of the stochastic + gradient descent. Indeed, the original optimization problem of the One-Class + SVM is given by -.. math:: - - \begin{aligned} - \min_{w, \rho, \xi} & \quad \frac{1}{2}\Vert w \Vert^2 - \rho + \frac{1}{\nu n} \sum_{i=1}^n \xi_i \\ - \text{s.t.} & \quad \langle w, x_i \rangle \geq \rho - \xi_i \quad 1 \leq i \leq n \\ - & \quad \xi_i \geq 0 \quad 1 \leq i \leq n - \end{aligned} + .. math:: -where :math:`\nu \in (0, 1]` is the user-specified parameter controlling the -proportion of outliers and the proportion of support vectors. Getting rid of -the slack variables :math:`\xi_i` this problem is equivalent to + \begin{aligned} + \min_{w, \rho, \xi} & \quad \frac{1}{2}\Vert w \Vert^2 - \rho + \frac{1}{\nu n} \sum_{i=1}^n \xi_i \\ + \text{s.t.} & \quad \langle w, x_i \rangle \geq \rho - \xi_i \quad 1 \leq i \leq n \\ + & \quad \xi_i \geq 0 \quad 1 \leq i \leq n + \end{aligned} -.. math:: + where :math:`\nu \in (0, 1]` is the user-specified parameter controlling the + proportion of outliers and the proportion of support vectors. Getting rid of + the slack variables :math:`\xi_i` this problem is equivalent to - \min_{w, \rho} \frac{1}{2}\Vert w \Vert^2 - \rho + \frac{1}{\nu n} \sum_{i=1}^n \max(0, \rho - \langle w, x_i \rangle) \, . + .. math:: -Multiplying by the constant :math:`\nu` and introducing the intercept -:math:`b = 1 - \rho` we obtain the following equivalent optimization problem + \min_{w, \rho} \frac{1}{2}\Vert w \Vert^2 - \rho + \frac{1}{\nu n} \sum_{i=1}^n \max(0, \rho - \langle w, x_i \rangle) \, . -.. math:: + Multiplying by the constant :math:`\nu` and introducing the intercept + :math:`b = 1 - \rho` we obtain the following equivalent optimization problem - \min_{w, b} \frac{\nu}{2}\Vert w \Vert^2 + b\nu + \frac{1}{n} \sum_{i=1}^n \max(0, 1 - (\langle w, x_i \rangle + b)) \, . + .. math:: -This is similar to the optimization problems studied in section -:ref:`sgd_mathematical_formulation` with :math:`y_i = 1, 1 \leq i \leq n` and -:math:`\alpha = \nu/2`, :math:`L` being the hinge loss function and :math:`R` -being the L2 norm. We just need to add the term :math:`b\nu` in the -optimization loop. + \min_{w, b} \frac{\nu}{2}\Vert w \Vert^2 + b\nu + \frac{1}{n} \sum_{i=1}^n \max(0, 1 - (\langle w, x_i \rangle + b)) \, . -|details-end| + This is similar to the optimization problems studied in section + :ref:`sgd_mathematical_formulation` with :math:`y_i = 1, 1 \leq i \leq n` and + :math:`\alpha = \nu/2`, :math:`L` being the hinge loss function and :math:`R` + being the L2 norm. We just need to add the term :math:`b\nu` in the + optimization loop. As :class:`SGDClassifier` and :class:`SGDRegressor`, :class:`SGDOneClassSVM` supports averaged SGD. Averaging can be enabled by setting ``average=True``. @@ -305,9 +301,9 @@ efficiency, however, use the CSR matrix format as defined in `scipy.sparse.csr_matrix `_. -.. topic:: Examples: +.. rubric:: Examples - - :ref:`sphx_glr_auto_examples_text_plot_document_classification_20newsgroups.py` +- :ref:`sphx_glr_auto_examples_text_plot_document_classification_20newsgroups.py` Complexity ========== @@ -385,11 +381,11 @@ Tips on Practical Use * We found that Averaged SGD works best with a larger number of features and a higher eta0. -.. topic:: References: +.. rubric:: References - * `"Efficient BackProp" `_ - Y. LeCun, L. Bottou, G. Orr, K. Müller - In Neural Networks: Tricks - of the Trade 1998. +* `"Efficient BackProp" `_ + Y. LeCun, L. Bottou, G. Orr, K. Müller - In Neural Networks: Tricks + of the Trade 1998. .. _sgd_mathematical_formulation: @@ -416,32 +412,28 @@ where :math:`L` is a loss function that measures model (mis)fit and complexity; :math:`\alpha > 0` is a non-negative hyperparameter that controls the regularization strength. -|details-start| -**Loss functions details** -|details-split| - -Different choices for :math:`L` entail different classifiers or regressors: - -- Hinge (soft-margin): equivalent to Support Vector Classification. - :math:`L(y_i, f(x_i)) = \max(0, 1 - y_i f(x_i))`. -- Perceptron: - :math:`L(y_i, f(x_i)) = \max(0, - y_i f(x_i))`. -- Modified Huber: - :math:`L(y_i, f(x_i)) = \max(0, 1 - y_i f(x_i))^2` if :math:`y_i f(x_i) > - -1`, and :math:`L(y_i, f(x_i)) = -4 y_i f(x_i)` otherwise. -- Log Loss: equivalent to Logistic Regression. - :math:`L(y_i, f(x_i)) = \log(1 + \exp (-y_i f(x_i)))`. -- Squared Error: Linear regression (Ridge or Lasso depending on - :math:`R`). - :math:`L(y_i, f(x_i)) = \frac{1}{2}(y_i - f(x_i))^2`. -- Huber: less sensitive to outliers than least-squares. It is equivalent to - least squares when :math:`|y_i - f(x_i)| \leq \varepsilon`, and - :math:`L(y_i, f(x_i)) = \varepsilon |y_i - f(x_i)| - \frac{1}{2} - \varepsilon^2` otherwise. -- Epsilon-Insensitive: (soft-margin) equivalent to Support Vector Regression. - :math:`L(y_i, f(x_i)) = \max(0, |y_i - f(x_i)| - \varepsilon)`. - -|details-end| +.. dropdown:: Loss functions details + + Different choices for :math:`L` entail different classifiers or regressors: + + - Hinge (soft-margin): equivalent to Support Vector Classification. + :math:`L(y_i, f(x_i)) = \max(0, 1 - y_i f(x_i))`. + - Perceptron: + :math:`L(y_i, f(x_i)) = \max(0, - y_i f(x_i))`. + - Modified Huber: + :math:`L(y_i, f(x_i)) = \max(0, 1 - y_i f(x_i))^2` if :math:`y_i f(x_i) > + -1`, and :math:`L(y_i, f(x_i)) = -4 y_i f(x_i)` otherwise. + - Log Loss: equivalent to Logistic Regression. + :math:`L(y_i, f(x_i)) = \log(1 + \exp (-y_i f(x_i)))`. + - Squared Error: Linear regression (Ridge or Lasso depending on + :math:`R`). + :math:`L(y_i, f(x_i)) = \frac{1}{2}(y_i - f(x_i))^2`. + - Huber: less sensitive to outliers than least-squares. It is equivalent to + least squares when :math:`|y_i - f(x_i)| \leq \varepsilon`, and + :math:`L(y_i, f(x_i)) = \varepsilon |y_i - f(x_i)| - \frac{1}{2} + \varepsilon^2` otherwise. + - Epsilon-Insensitive: (soft-margin) equivalent to Support Vector Regression. + :math:`L(y_i, f(x_i)) = \max(0, |y_i - f(x_i)| - \varepsilon)`. All of the above loss functions can be regarded as an upper bound on the misclassification error (Zero-one loss) as shown in the Figure below. @@ -553,32 +545,29 @@ We use the truncated gradient algorithm proposed in [#3]_ for L1 regularization (and the Elastic Net). The code is written in Cython. -.. topic:: References: +.. rubric:: References - .. [#1] `"Stochastic Gradient Descent" - `_ L. Bottou - Website, 2010. +.. [#1] `"Stochastic Gradient Descent" + `_ L. Bottou - Website, 2010. - .. [#2] :doi:`"Pegasos: Primal estimated sub-gradient solver for svm" - <10.1145/1273496.1273598>` - S. Shalev-Shwartz, Y. Singer, N. Srebro - In Proceedings of ICML '07. +.. [#2] :doi:`"Pegasos: Primal estimated sub-gradient solver for svm" + <10.1145/1273496.1273598>` + S. Shalev-Shwartz, Y. Singer, N. Srebro - In Proceedings of ICML '07. - .. [#3] `"Stochastic gradient descent training for l1-regularized - log-linear models with cumulative penalty" - `_ - Y. Tsuruoka, J. Tsujii, S. Ananiadou - In Proceedings of the AFNLP/ACL - '09. +.. [#3] `"Stochastic gradient descent training for l1-regularized + log-linear models with cumulative penalty" + `_ + Y. Tsuruoka, J. Tsujii, S. Ananiadou - In Proceedings of the AFNLP/ACL'09. - .. [#4] :arxiv:`"Towards Optimal One Pass Large Scale Learning with - Averaged Stochastic Gradient Descent" - <1107.2490v2>` - Xu, Wei (2011) +.. [#4] :arxiv:`"Towards Optimal One Pass Large Scale Learning with + Averaged Stochastic Gradient Descent" + <1107.2490v2>`. Xu, Wei (2011) - .. [#5] :doi:`"Regularization and variable selection via the elastic net" - <10.1111/j.1467-9868.2005.00503.x>` - H. Zou, T. Hastie - Journal of the Royal Statistical Society Series B, - 67 (2), 301-320. +.. [#5] :doi:`"Regularization and variable selection via the elastic net" + <10.1111/j.1467-9868.2005.00503.x>` + H. Zou, T. Hastie - Journal of the Royal Statistical Society Series B, + 67 (2), 301-320. - .. [#6] :doi:`"Solving large scale linear prediction problems using stochastic - gradient descent algorithms" - <10.1145/1015330.1015332>` - T. Zhang - In Proceedings of ICML '04. +.. [#6] :doi:`"Solving large scale linear prediction problems using stochastic + gradient descent algorithms" <10.1145/1015330.1015332>` + T. Zhang - In Proceedings of ICML '04. diff --git a/doc/modules/svm.rst b/doc/modules/svm.rst index e3bc1395819e9..47115e43a89e0 100644 --- a/doc/modules/svm.rst +++ b/doc/modules/svm.rst @@ -108,11 +108,10 @@ properties of these support vectors can be found in attributes >>> clf.n_support_ array([1, 1]...) -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_svm_plot_separating_hyperplane.py`, - * :ref:`sphx_glr_auto_examples_svm_plot_svm_nonlinear.py` - * :ref:`sphx_glr_auto_examples_svm_plot_svm_anova.py`, +* :ref:`sphx_glr_auto_examples_svm_plot_separating_hyperplane.py` +* :ref:`sphx_glr_auto_examples_svm_plot_svm_anova.py` .. _svm_multi_class: @@ -154,65 +153,61 @@ multi-class strategy, thus training `n_classes` models. See :ref:`svm_mathematical_formulation` for a complete description of the decision function. -|details-start| -**Details on multi-class strategies** -|details-split| - -Note that the :class:`LinearSVC` also implements an alternative multi-class -strategy, the so-called multi-class SVM formulated by Crammer and Singer -[#8]_, by using the option ``multi_class='crammer_singer'``. In practice, -one-vs-rest classification is usually preferred, since the results are mostly -similar, but the runtime is significantly less. - -For "one-vs-rest" :class:`LinearSVC` the attributes ``coef_`` and ``intercept_`` -have the shape ``(n_classes, n_features)`` and ``(n_classes,)`` respectively. -Each row of the coefficients corresponds to one of the ``n_classes`` -"one-vs-rest" classifiers and similar for the intercepts, in the -order of the "one" class. - -In the case of "one-vs-one" :class:`SVC` and :class:`NuSVC`, the layout of -the attributes is a little more involved. In the case of a linear -kernel, the attributes ``coef_`` and ``intercept_`` have the shape -``(n_classes * (n_classes - 1) / 2, n_features)`` and ``(n_classes * -(n_classes - 1) / 2)`` respectively. This is similar to the layout for -:class:`LinearSVC` described above, with each row now corresponding -to a binary classifier. The order for classes -0 to n is "0 vs 1", "0 vs 2" , ... "0 vs n", "1 vs 2", "1 vs 3", "1 vs n", . . -. "n-1 vs n". - -The shape of ``dual_coef_`` is ``(n_classes-1, n_SV)`` with -a somewhat hard to grasp layout. -The columns correspond to the support vectors involved in any -of the ``n_classes * (n_classes - 1) / 2`` "one-vs-one" classifiers. -Each support vector ``v`` has a dual coefficient in each of the -``n_classes - 1`` classifiers comparing the class of ``v`` against another class. -Note that some, but not all, of these dual coefficients, may be zero. -The ``n_classes - 1`` entries in each column are these dual coefficients, -ordered by the opposing class. - -This might be clearer with an example: consider a three class problem with -class 0 having three support vectors -:math:`v^{0}_0, v^{1}_0, v^{2}_0` and class 1 and 2 having two support vectors -:math:`v^{0}_1, v^{1}_1` and :math:`v^{0}_2, v^{1}_2` respectively. For each -support vector :math:`v^{j}_i`, there are two dual coefficients. Let's call -the coefficient of support vector :math:`v^{j}_i` in the classifier between -classes :math:`i` and :math:`k` :math:`\alpha^{j}_{i,k}`. -Then ``dual_coef_`` looks like this: - -+------------------------+------------------------+------------------------+------------------------+------------------------+------------------------+------------------------+ -|:math:`\alpha^{0}_{0,1}`|:math:`\alpha^{1}_{0,1}`|:math:`\alpha^{2}_{0,1}`|:math:`\alpha^{0}_{1,0}`|:math:`\alpha^{1}_{1,0}`|:math:`\alpha^{0}_{2,0}`|:math:`\alpha^{1}_{2,0}`| -+------------------------+------------------------+------------------------+------------------------+------------------------+------------------------+------------------------+ -|:math:`\alpha^{0}_{0,2}`|:math:`\alpha^{1}_{0,2}`|:math:`\alpha^{2}_{0,2}`|:math:`\alpha^{0}_{1,2}`|:math:`\alpha^{1}_{1,2}`|:math:`\alpha^{0}_{2,1}`|:math:`\alpha^{1}_{2,1}`| -+------------------------+------------------------+------------------------+------------------------+------------------------+------------------------+------------------------+ -|Coefficients |Coefficients |Coefficients | -|for SVs of class 0 |for SVs of class 1 |for SVs of class 2 | -+--------------------------------------------------------------------------+-------------------------------------------------+-------------------------------------------------+ - -|details-end| - -.. topic:: Examples: - - * :ref:`sphx_glr_auto_examples_svm_plot_iris_svc.py`, +.. dropdown:: Details on multi-class strategies + + Note that the :class:`LinearSVC` also implements an alternative multi-class + strategy, the so-called multi-class SVM formulated by Crammer and Singer + [#8]_, by using the option ``multi_class='crammer_singer'``. In practice, + one-vs-rest classification is usually preferred, since the results are mostly + similar, but the runtime is significantly less. + + For "one-vs-rest" :class:`LinearSVC` the attributes ``coef_`` and ``intercept_`` + have the shape ``(n_classes, n_features)`` and ``(n_classes,)`` respectively. + Each row of the coefficients corresponds to one of the ``n_classes`` + "one-vs-rest" classifiers and similar for the intercepts, in the + order of the "one" class. + + In the case of "one-vs-one" :class:`SVC` and :class:`NuSVC`, the layout of + the attributes is a little more involved. In the case of a linear + kernel, the attributes ``coef_`` and ``intercept_`` have the shape + ``(n_classes * (n_classes - 1) / 2, n_features)`` and ``(n_classes * + (n_classes - 1) / 2)`` respectively. This is similar to the layout for + :class:`LinearSVC` described above, with each row now corresponding + to a binary classifier. The order for classes + 0 to n is "0 vs 1", "0 vs 2" , ... "0 vs n", "1 vs 2", "1 vs 3", "1 vs n", . . + . "n-1 vs n". + + The shape of ``dual_coef_`` is ``(n_classes-1, n_SV)`` with + a somewhat hard to grasp layout. + The columns correspond to the support vectors involved in any + of the ``n_classes * (n_classes - 1) / 2`` "one-vs-one" classifiers. + Each support vector ``v`` has a dual coefficient in each of the + ``n_classes - 1`` classifiers comparing the class of ``v`` against another class. + Note that some, but not all, of these dual coefficients, may be zero. + The ``n_classes - 1`` entries in each column are these dual coefficients, + ordered by the opposing class. + + This might be clearer with an example: consider a three class problem with + class 0 having three support vectors + :math:`v^{0}_0, v^{1}_0, v^{2}_0` and class 1 and 2 having two support vectors + :math:`v^{0}_1, v^{1}_1` and :math:`v^{0}_2, v^{1}_2` respectively. For each + support vector :math:`v^{j}_i`, there are two dual coefficients. Let's call + the coefficient of support vector :math:`v^{j}_i` in the classifier between + classes :math:`i` and :math:`k` :math:`\alpha^{j}_{i,k}`. + Then ``dual_coef_`` looks like this: + + +------------------------+------------------------+------------------------+------------------------+------------------------+------------------------+------------------------+ + |:math:`\alpha^{0}_{0,1}`|:math:`\alpha^{1}_{0,1}`|:math:`\alpha^{2}_{0,1}`|:math:`\alpha^{0}_{1,0}`|:math:`\alpha^{1}_{1,0}`|:math:`\alpha^{0}_{2,0}`|:math:`\alpha^{1}_{2,0}`| + +------------------------+------------------------+------------------------+------------------------+------------------------+------------------------+------------------------+ + |:math:`\alpha^{0}_{0,2}`|:math:`\alpha^{1}_{0,2}`|:math:`\alpha^{2}_{0,2}`|:math:`\alpha^{0}_{1,2}`|:math:`\alpha^{1}_{1,2}`|:math:`\alpha^{0}_{2,1}`|:math:`\alpha^{1}_{2,1}`| + +------------------------+------------------------+------------------------+------------------------+------------------------+------------------------+------------------------+ + |Coefficients |Coefficients |Coefficients | + |for SVs of class 0 |for SVs of class 1 |for SVs of class 2 | + +--------------------------------------------------------------------------+-------------------------------------------------+-------------------------------------------------+ + +.. rubric:: Examples + +* :ref:`sphx_glr_auto_examples_svm_plot_iris_svc.py` .. _scores_probabilities: @@ -295,10 +290,10 @@ to the sample weights: :align: center :scale: 75 -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_svm_plot_separating_hyperplane_unbalanced.py` - * :ref:`sphx_glr_auto_examples_svm_plot_weighted_samples.py`, +* :ref:`sphx_glr_auto_examples_svm_plot_separating_hyperplane_unbalanced.py` +* :ref:`sphx_glr_auto_examples_svm_plot_weighted_samples.py` .. _svm_regression: @@ -343,9 +338,9 @@ floating point values instead of integer values:: array([1.5]) -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_svm_plot_svm_regression.py` +* :ref:`sphx_glr_auto_examples_svm_plot_svm_regression.py` .. _svm_outlier_detection: @@ -516,11 +511,10 @@ Proper choice of ``C`` and ``gamma`` is critical to the SVM's performance. One is advised to use :class:`~sklearn.model_selection.GridSearchCV` with ``C`` and ``gamma`` spaced exponentially far apart to choose good values. -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_svm_plot_rbf_parameters.py` - * :ref:`sphx_glr_auto_examples_svm_plot_svm_nonlinear.py` - * :ref:`sphx_glr_auto_examples_svm_plot_svm_scale_c.py` +* :ref:`sphx_glr_auto_examples_svm_plot_rbf_parameters.py` +* :ref:`sphx_glr_auto_examples_svm_plot_svm_scale_c.py` Custom Kernels -------------- @@ -539,60 +533,52 @@ classifiers, except that: use of ``fit()`` and ``predict()`` you will have unexpected results. -|details-start| -**Using Python functions as kernels** -|details-split| +.. dropdown:: Using Python functions as kernels -You can use your own defined kernels by passing a function to the -``kernel`` parameter. + You can use your own defined kernels by passing a function to the + ``kernel`` parameter. -Your kernel must take as arguments two matrices of shape -``(n_samples_1, n_features)``, ``(n_samples_2, n_features)`` -and return a kernel matrix of shape ``(n_samples_1, n_samples_2)``. + Your kernel must take as arguments two matrices of shape + ``(n_samples_1, n_features)``, ``(n_samples_2, n_features)`` + and return a kernel matrix of shape ``(n_samples_1, n_samples_2)``. -The following code defines a linear kernel and creates a classifier -instance that will use that kernel:: + The following code defines a linear kernel and creates a classifier + instance that will use that kernel:: - >>> import numpy as np - >>> from sklearn import svm - >>> def my_kernel(X, Y): - ... return np.dot(X, Y.T) - ... - >>> clf = svm.SVC(kernel=my_kernel) - -|details-end| + >>> import numpy as np + >>> from sklearn import svm + >>> def my_kernel(X, Y): + ... return np.dot(X, Y.T) + ... + >>> clf = svm.SVC(kernel=my_kernel) -|details-start| -**Using the Gram matrix** -|details-split| +.. dropdown:: Using the Gram matrix -You can pass pre-computed kernels by using the ``kernel='precomputed'`` -option. You should then pass Gram matrix instead of X to the `fit` and -`predict` methods. The kernel values between *all* training vectors and the -test vectors must be provided: + You can pass pre-computed kernels by using the ``kernel='precomputed'`` + option. You should then pass Gram matrix instead of X to the `fit` and + `predict` methods. The kernel values between *all* training vectors and the + test vectors must be provided: - >>> import numpy as np - >>> from sklearn.datasets import make_classification - >>> from sklearn.model_selection import train_test_split - >>> from sklearn import svm - >>> X, y = make_classification(n_samples=10, random_state=0) - >>> X_train , X_test , y_train, y_test = train_test_split(X, y, random_state=0) - >>> clf = svm.SVC(kernel='precomputed') - >>> # linear kernel computation - >>> gram_train = np.dot(X_train, X_train.T) - >>> clf.fit(gram_train, y_train) - SVC(kernel='precomputed') - >>> # predict on training examples - >>> gram_test = np.dot(X_test, X_train.T) - >>> clf.predict(gram_test) - array([0, 1, 0]) + >>> import numpy as np + >>> from sklearn.datasets import make_classification + >>> from sklearn.model_selection import train_test_split + >>> from sklearn import svm + >>> X, y = make_classification(n_samples=10, random_state=0) + >>> X_train , X_test , y_train, y_test = train_test_split(X, y, random_state=0) + >>> clf = svm.SVC(kernel='precomputed') + >>> # linear kernel computation + >>> gram_train = np.dot(X_train, X_train.T) + >>> clf.fit(gram_train, y_train) + SVC(kernel='precomputed') + >>> # predict on training examples + >>> gram_test = np.dot(X_test, X_train.T) + >>> clf.predict(gram_test) + array([0, 1, 0]) -|details-end| +.. rubric:: Examples -.. topic:: Examples: - - * :ref:`sphx_glr_auto_examples_svm_plot_custom_kernel.py`. +* :ref:`sphx_glr_auto_examples_svm_plot_custom_kernel.py` .. _svm_mathematical_formulation: @@ -689,43 +675,35 @@ term :math:`b` estimator used is :class:`~sklearn.linear_model.Ridge` regression, the relation between them is given as :math:`C = \frac{1}{alpha}`. -|details-start| -**LinearSVC** -|details-split| +.. dropdown:: LinearSVC -The primal problem can be equivalently formulated as + The primal problem can be equivalently formulated as -.. math:: + .. math:: - \min_ {w, b} \frac{1}{2} w^T w + C \sum_{i=1}^{n}\max(0, 1 - y_i (w^T \phi(x_i) + b)), + \min_ {w, b} \frac{1}{2} w^T w + C \sum_{i=1}^{n}\max(0, 1 - y_i (w^T \phi(x_i) + b)), -where we make use of the `hinge loss -`_. This is the form that is -directly optimized by :class:`LinearSVC`, but unlike the dual form, this one -does not involve inner products between samples, so the famous kernel trick -cannot be applied. This is why only the linear kernel is supported by -:class:`LinearSVC` (:math:`\phi` is the identity function). - -|details-end| + where we make use of the `hinge loss + `_. This is the form that is + directly optimized by :class:`LinearSVC`, but unlike the dual form, this one + does not involve inner products between samples, so the famous kernel trick + cannot be applied. This is why only the linear kernel is supported by + :class:`LinearSVC` (:math:`\phi` is the identity function). .. _nu_svc: -|details-start| -**NuSVC** -|details-split| - -The :math:`\nu`-SVC formulation [#7]_ is a reparameterization of the -:math:`C`-SVC and therefore mathematically equivalent. +.. dropdown:: NuSVC -We introduce a new parameter :math:`\nu` (instead of :math:`C`) which -controls the number of support vectors and *margin errors*: -:math:`\nu \in (0, 1]` is an upper bound on the fraction of margin errors and -a lower bound of the fraction of support vectors. A margin error corresponds -to a sample that lies on the wrong side of its margin boundary: it is either -misclassified, or it is correctly classified but does not lie beyond the -margin. + The :math:`\nu`-SVC formulation [#7]_ is a reparameterization of the + :math:`C`-SVC and therefore mathematically equivalent. -|details-end| + We introduce a new parameter :math:`\nu` (instead of :math:`C`) which + controls the number of support vectors and *margin errors*: + :math:`\nu \in (0, 1]` is an upper bound on the fraction of margin errors and + a lower bound of the fraction of support vectors. A margin error corresponds + to a sample that lies on the wrong side of its margin boundary: it is either + misclassified, or it is correctly classified but does not lie beyond the + margin. SVR --- @@ -774,21 +752,17 @@ which holds the difference :math:`\alpha_i - \alpha_i^*`, ``support_vectors_`` w holds the support vectors, and ``intercept_`` which holds the independent term :math:`b` -|details-start| -**LinearSVR** -|details-split| +.. dropdown:: LinearSVR -The primal problem can be equivalently formulated as - -.. math:: + The primal problem can be equivalently formulated as - \min_ {w, b} \frac{1}{2} w^T w + C \sum_{i=1}^{n}\max(0, |y_i - (w^T \phi(x_i) + b)| - \varepsilon), + .. math:: -where we make use of the epsilon-insensitive loss, i.e. errors of less than -:math:`\varepsilon` are ignored. This is the form that is directly optimized -by :class:`LinearSVR`. + \min_ {w, b} \frac{1}{2} w^T w + C \sum_{i=1}^{n}\max(0, |y_i - (w^T \phi(x_i) + b)| - \varepsilon), -|details-end| + where we make use of the epsilon-insensitive loss, i.e. errors of less than + :math:`\varepsilon` are ignored. This is the form that is directly optimized + by :class:`LinearSVR`. .. _svm_implementation_details: @@ -804,38 +778,37 @@ used, please refer to their respective papers. .. _`libsvm`: https://www.csie.ntu.edu.tw/~cjlin/libsvm/ .. _`liblinear`: https://www.csie.ntu.edu.tw/~cjlin/liblinear/ -.. topic:: References: +.. rubric:: References - .. [#1] Platt `"Probabilistic outputs for SVMs and comparisons to - regularized likelihood methods" - `_. +.. [#1] Platt `"Probabilistic outputs for SVMs and comparisons to + regularized likelihood methods" + `_. - .. [#2] Wu, Lin and Weng, `"Probability estimates for multi-class - classification by pairwise coupling" - `_, JMLR - 5:975-1005, 2004. +.. [#2] Wu, Lin and Weng, `"Probability estimates for multi-class + classification by pairwise coupling" + `_, + JMLR 5:975-1005, 2004. - .. [#3] Fan, Rong-En, et al., - `"LIBLINEAR: A library for large linear classification." - `_, - Journal of machine learning research 9.Aug (2008): 1871-1874. +.. [#3] Fan, Rong-En, et al., + `"LIBLINEAR: A library for large linear classification." + `_, + Journal of machine learning research 9.Aug (2008): 1871-1874. - .. [#4] Chang and Lin, `LIBSVM: A Library for Support Vector Machines - `_. +.. [#4] Chang and Lin, `LIBSVM: A Library for Support Vector Machines + `_. - .. [#5] Bishop, `Pattern recognition and machine learning - `_, - chapter 7 Sparse Kernel Machines +.. [#5] Bishop, `Pattern recognition and machine learning + `_, + chapter 7 Sparse Kernel Machines - .. [#6] :doi:`"A Tutorial on Support Vector Regression" - <10.1023/B:STCO.0000035301.49549.88>` - Alex J. Smola, Bernhard Schölkopf - Statistics and Computing archive - Volume 14 Issue 3, August 2004, p. 199-222. +.. [#6] :doi:`"A Tutorial on Support Vector Regression" + <10.1023/B:STCO.0000035301.49549.88>` + Alex J. Smola, Bernhard Schölkopf - Statistics and Computing archive + Volume 14 Issue 3, August 2004, p. 199-222. - .. [#7] Schölkopf et. al `New Support Vector Algorithms - `_ +.. [#7] Schölkopf et. al `New Support Vector Algorithms + `_ - .. [#8] Crammer and Singer `On the Algorithmic Implementation ofMulticlass - Kernel-based Vector Machines - `_, - JMLR 2001. +.. [#8] Crammer and Singer `On the Algorithmic Implementation ofMulticlass + Kernel-based Vector Machines + `_, JMLR 2001. diff --git a/doc/modules/tree.rst b/doc/modules/tree.rst index b54b913573a34..9b475d6c09f5f 100644 --- a/doc/modules/tree.rst +++ b/doc/modules/tree.rst @@ -146,82 +146,78 @@ Once trained, you can plot the tree with the :func:`plot_tree` function:: :scale: 75 :align: center -|details-start| -**Alternative ways to export trees** -|details-split| - -We can also export the tree in `Graphviz -`_ format using the :func:`export_graphviz` -exporter. If you use the `conda `_ package manager, the graphviz binaries -and the python package can be installed with `conda install python-graphviz`. - -Alternatively binaries for graphviz can be downloaded from the graphviz project homepage, -and the Python wrapper installed from pypi with `pip install graphviz`. - -Below is an example graphviz export of the above tree trained on the entire -iris dataset; the results are saved in an output file `iris.pdf`:: - - - >>> import graphviz # doctest: +SKIP - >>> dot_data = tree.export_graphviz(clf, out_file=None) # doctest: +SKIP - >>> graph = graphviz.Source(dot_data) # doctest: +SKIP - >>> graph.render("iris") # doctest: +SKIP - -The :func:`export_graphviz` exporter also supports a variety of aesthetic -options, including coloring nodes by their class (or value for regression) and -using explicit variable and class names if desired. Jupyter notebooks also -render these plots inline automatically:: - - >>> dot_data = tree.export_graphviz(clf, out_file=None, # doctest: +SKIP - ... feature_names=iris.feature_names, # doctest: +SKIP - ... class_names=iris.target_names, # doctest: +SKIP - ... filled=True, rounded=True, # doctest: +SKIP - ... special_characters=True) # doctest: +SKIP - >>> graph = graphviz.Source(dot_data) # doctest: +SKIP - >>> graph # doctest: +SKIP - -.. only:: html - - .. figure:: ../images/iris.svg - :align: center - -.. only:: latex - - .. figure:: ../images/iris.pdf - :align: center - -.. figure:: ../auto_examples/tree/images/sphx_glr_plot_iris_dtc_001.png - :target: ../auto_examples/tree/plot_iris_dtc.html - :align: center - :scale: 75 - -Alternatively, the tree can also be exported in textual format with the -function :func:`export_text`. This method doesn't require the installation -of external libraries and is more compact: - - >>> from sklearn.datasets import load_iris - >>> from sklearn.tree import DecisionTreeClassifier - >>> from sklearn.tree import export_text - >>> iris = load_iris() - >>> decision_tree = DecisionTreeClassifier(random_state=0, max_depth=2) - >>> decision_tree = decision_tree.fit(iris.data, iris.target) - >>> r = export_text(decision_tree, feature_names=iris['feature_names']) - >>> print(r) - |--- petal width (cm) <= 0.80 - | |--- class: 0 - |--- petal width (cm) > 0.80 - | |--- petal width (cm) <= 1.75 - | | |--- class: 1 - | |--- petal width (cm) > 1.75 - | | |--- class: 2 - - -|details-end| - -.. topic:: Examples: - - * :ref:`sphx_glr_auto_examples_tree_plot_iris_dtc.py` - * :ref:`sphx_glr_auto_examples_tree_plot_unveil_tree_structure.py` +.. dropdown:: Alternative ways to export trees + + We can also export the tree in `Graphviz + `_ format using the :func:`export_graphviz` + exporter. If you use the `conda `_ package manager, the graphviz binaries + and the python package can be installed with `conda install python-graphviz`. + + Alternatively binaries for graphviz can be downloaded from the graphviz project homepage, + and the Python wrapper installed from pypi with `pip install graphviz`. + + Below is an example graphviz export of the above tree trained on the entire + iris dataset; the results are saved in an output file `iris.pdf`:: + + + >>> import graphviz # doctest: +SKIP + >>> dot_data = tree.export_graphviz(clf, out_file=None) # doctest: +SKIP + >>> graph = graphviz.Source(dot_data) # doctest: +SKIP + >>> graph.render("iris") # doctest: +SKIP + + The :func:`export_graphviz` exporter also supports a variety of aesthetic + options, including coloring nodes by their class (or value for regression) and + using explicit variable and class names if desired. Jupyter notebooks also + render these plots inline automatically:: + + >>> dot_data = tree.export_graphviz(clf, out_file=None, # doctest: +SKIP + ... feature_names=iris.feature_names, # doctest: +SKIP + ... class_names=iris.target_names, # doctest: +SKIP + ... filled=True, rounded=True, # doctest: +SKIP + ... special_characters=True) # doctest: +SKIP + >>> graph = graphviz.Source(dot_data) # doctest: +SKIP + >>> graph # doctest: +SKIP + + .. only:: html + + .. figure:: ../images/iris.svg + :align: center + + .. only:: latex + + .. figure:: ../images/iris.pdf + :align: center + + .. figure:: ../auto_examples/tree/images/sphx_glr_plot_iris_dtc_001.png + :target: ../auto_examples/tree/plot_iris_dtc.html + :align: center + :scale: 75 + + Alternatively, the tree can also be exported in textual format with the + function :func:`export_text`. This method doesn't require the installation + of external libraries and is more compact: + + >>> from sklearn.datasets import load_iris + >>> from sklearn.tree import DecisionTreeClassifier + >>> from sklearn.tree import export_text + >>> iris = load_iris() + >>> decision_tree = DecisionTreeClassifier(random_state=0, max_depth=2) + >>> decision_tree = decision_tree.fit(iris.data, iris.target) + >>> r = export_text(decision_tree, feature_names=iris['feature_names']) + >>> print(r) + |--- petal width (cm) <= 0.80 + | |--- class: 0 + |--- petal width (cm) > 0.80 + | |--- petal width (cm) <= 1.75 + | | |--- class: 1 + | |--- petal width (cm) > 1.75 + | | |--- class: 2 + + +.. rubric:: Examples + +* :ref:`sphx_glr_auto_examples_tree_plot_iris_dtc.py` +* :ref:`sphx_glr_auto_examples_tree_plot_unveil_tree_structure.py` .. _tree_regression: @@ -248,9 +244,9 @@ instead of integer values:: >>> clf.predict([[1, 1]]) array([0.5]) -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_tree_plot_tree_regression.py` +* :ref:`sphx_glr_auto_examples_tree_plot_tree_regression.py` .. _tree_multioutput: @@ -306,21 +302,17 @@ the lower half of those faces. :scale: 75 :align: center -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_tree_plot_tree_regression_multioutput.py` - * :ref:`sphx_glr_auto_examples_miscellaneous_plot_multioutput_face_completion.py` +* :ref:`sphx_glr_auto_examples_tree_plot_tree_regression_multioutput.py` +* :ref:`sphx_glr_auto_examples_miscellaneous_plot_multioutput_face_completion.py` -|details-start| -**References** -|details-split| +.. rubric:: References * M. Dumont et al, `Fast multi-class image annotation with random subwindows and multiple output randomized trees - `_, International Conference on - Computer Vision Theory and Applications 2009 - -|details-end| + `_, + International Conference on Computer Vision Theory and Applications 2009 .. _tree_complexity: @@ -412,36 +404,32 @@ Tree algorithms: ID3, C4.5, C5.0 and CART What are all the various decision tree algorithms and how do they differ from each other? Which one is implemented in scikit-learn? -|details-start| -**Various decision tree algorithms** -|details-split| - -ID3_ (Iterative Dichotomiser 3) was developed in 1986 by Ross Quinlan. -The algorithm creates a multiway tree, finding for each node (i.e. in -a greedy manner) the categorical feature that will yield the largest -information gain for categorical targets. Trees are grown to their -maximum size and then a pruning step is usually applied to improve the -ability of the tree to generalize to unseen data. - -C4.5 is the successor to ID3 and removed the restriction that features -must be categorical by dynamically defining a discrete attribute (based -on numerical variables) that partitions the continuous attribute value -into a discrete set of intervals. C4.5 converts the trained trees -(i.e. the output of the ID3 algorithm) into sets of if-then rules. -The accuracy of each rule is then evaluated to determine the order -in which they should be applied. Pruning is done by removing a rule's -precondition if the accuracy of the rule improves without it. - -C5.0 is Quinlan's latest version release under a proprietary license. -It uses less memory and builds smaller rulesets than C4.5 while being -more accurate. - -CART (Classification and Regression Trees) is very similar to C4.5, but -it differs in that it supports numerical target variables (regression) and -does not compute rule sets. CART constructs binary trees using the feature -and threshold that yield the largest information gain at each node. - -|details-end| +.. dropdown:: Various decision tree algorithms + + ID3_ (Iterative Dichotomiser 3) was developed in 1986 by Ross Quinlan. + The algorithm creates a multiway tree, finding for each node (i.e. in + a greedy manner) the categorical feature that will yield the largest + information gain for categorical targets. Trees are grown to their + maximum size and then a pruning step is usually applied to improve the + ability of the tree to generalize to unseen data. + + C4.5 is the successor to ID3 and removed the restriction that features + must be categorical by dynamically defining a discrete attribute (based + on numerical variables) that partitions the continuous attribute value + into a discrete set of intervals. C4.5 converts the trained trees + (i.e. the output of the ID3 algorithm) into sets of if-then rules. + The accuracy of each rule is then evaluated to determine the order + in which they should be applied. Pruning is done by removing a rule's + precondition if the accuracy of the rule improves without it. + + C5.0 is Quinlan's latest version release under a proprietary license. + It uses less memory and builds smaller rulesets than C4.5 while being + more accurate. + + CART (Classification and Regression Trees) is very similar to C4.5, but + it differs in that it supports numerical target variables (regression) and + does not compute rule sets. CART constructs binary trees using the feature + and threshold that yield the largest information gain at each node. scikit-learn uses an optimized version of the CART algorithm; however, the scikit-learn implementation does not support categorical variables for now. @@ -515,39 +503,35 @@ Log Loss or Entropy: H(Q_m) = - \sum_k p_{mk} \log(p_{mk}) -|details-start| -**Shannon entropy** -|details-split| - -The entropy criterion computes the Shannon entropy of the possible classes. It -takes the class frequencies of the training data points that reached a given -leaf :math:`m` as their probability. Using the **Shannon entropy as tree node -splitting criterion is equivalent to minimizing the log loss** (also known as -cross-entropy and multinomial deviance) between the true labels :math:`y_i` -and the probabilistic predictions :math:`T_k(x_i)` of the tree model :math:`T` for class :math:`k`. +.. dropdown:: Shannon entropy -To see this, first recall that the log loss of a tree model :math:`T` -computed on a dataset :math:`D` is defined as follows: + The entropy criterion computes the Shannon entropy of the possible classes. It + takes the class frequencies of the training data points that reached a given + leaf :math:`m` as their probability. Using the **Shannon entropy as tree node + splitting criterion is equivalent to minimizing the log loss** (also known as + cross-entropy and multinomial deviance) between the true labels :math:`y_i` + and the probabilistic predictions :math:`T_k(x_i)` of the tree model :math:`T` for class :math:`k`. -.. math:: + To see this, first recall that the log loss of a tree model :math:`T` + computed on a dataset :math:`D` is defined as follows: - \mathrm{LL}(D, T) = -\frac{1}{n} \sum_{(x_i, y_i) \in D} \sum_k I(y_i = k) \log(T_k(x_i)) + .. math:: -where :math:`D` is a training dataset of :math:`n` pairs :math:`(x_i, y_i)`. + \mathrm{LL}(D, T) = -\frac{1}{n} \sum_{(x_i, y_i) \in D} \sum_k I(y_i = k) \log(T_k(x_i)) -In a classification tree, the predicted class probabilities within leaf nodes -are constant, that is: for all :math:`(x_i, y_i) \in Q_m`, one has: -:math:`T_k(x_i) = p_{mk}` for each class :math:`k`. + where :math:`D` is a training dataset of :math:`n` pairs :math:`(x_i, y_i)`. -This property makes it possible to rewrite :math:`\mathrm{LL}(D, T)` as the -sum of the Shannon entropies computed for each leaf of :math:`T` weighted by -the number of training data points that reached each leaf: + In a classification tree, the predicted class probabilities within leaf nodes + are constant, that is: for all :math:`(x_i, y_i) \in Q_m`, one has: + :math:`T_k(x_i) = p_{mk}` for each class :math:`k`. -.. math:: + This property makes it possible to rewrite :math:`\mathrm{LL}(D, T)` as the + sum of the Shannon entropies computed for each leaf of :math:`T` weighted by + the number of training data points that reached each leaf: - \mathrm{LL}(D, T) = \sum_{m \in T} \frac{n_m}{n} H(Q_m) + .. math:: -|details-end| + \mathrm{LL}(D, T) = \sum_{m \in T} \frac{n_m}{n} H(Q_m) Regression criteria ------------------- @@ -685,13 +669,11 @@ with the smallest value of :math:`\alpha_{eff}` is the weakest link and will be pruned. This process stops when the pruned tree's minimal :math:`\alpha_{eff}` is greater than the ``ccp_alpha`` parameter. -.. topic:: Examples: +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_tree_plot_cost_complexity_pruning.py` +* :ref:`sphx_glr_auto_examples_tree_plot_cost_complexity_pruning.py` -|details-start| -**References** -|details-split| +.. rubric:: References .. [BRE] L. Breiman, J. Friedman, R. Olshen, and C. Stone. Classification and Regression Trees. Wadsworth, Belmont, CA, 1984. @@ -705,5 +687,3 @@ be pruned. This process stops when the pruned tree's minimal * T. Hastie, R. Tibshirani and J. Friedman. Elements of Statistical Learning, Springer, 2009. - -|details-end| diff --git a/doc/modules/unsupervised_reduction.rst b/doc/modules/unsupervised_reduction.rst index 90c80714c3131..f94d6ac301e47 100644 --- a/doc/modules/unsupervised_reduction.rst +++ b/doc/modules/unsupervised_reduction.rst @@ -24,9 +24,9 @@ PCA: principal component analysis :class:`decomposition.PCA` looks for a combination of features that capture well the variance of the original features. See :ref:`decompositions`. -.. topic:: **Examples** +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_applications_plot_face_recognition.py` +* :ref:`sphx_glr_auto_examples_applications_plot_face_recognition.py` Random projections ------------------- @@ -35,9 +35,9 @@ The module: :mod:`~sklearn.random_projection` provides several tools for data reduction by random projections. See the relevant section of the documentation: :ref:`random_projection`. -.. topic:: **Examples** +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_miscellaneous_plot_johnson_lindenstrauss_bound.py` +* :ref:`sphx_glr_auto_examples_miscellaneous_plot_johnson_lindenstrauss_bound.py` Feature agglomeration ------------------------ @@ -46,10 +46,10 @@ Feature agglomeration :ref:`hierarchical_clustering` to group together features that behave similarly. -.. topic:: **Examples** +.. rubric:: Examples - * :ref:`sphx_glr_auto_examples_cluster_plot_feature_agglomeration_vs_univariate_selection.py` - * :ref:`sphx_glr_auto_examples_cluster_plot_digits_agglomeration.py` +* :ref:`sphx_glr_auto_examples_cluster_plot_feature_agglomeration_vs_univariate_selection.py` +* :ref:`sphx_glr_auto_examples_cluster_plot_digits_agglomeration.py` .. topic:: **Feature scaling** diff --git a/doc/preface.rst b/doc/preface.rst deleted file mode 100644 index 447083a3a8136..0000000000000 --- a/doc/preface.rst +++ /dev/null @@ -1,32 +0,0 @@ -.. This helps define the TOC ordering for "about us" sections. Particularly - useful for PDF output as this section is not linked from elsewhere. - -.. Places global toc into the sidebar - -:globalsidebartoc: True - -.. _preface_menu: - -.. include:: includes/big_toc_css.rst -.. include:: tune_toc.rst - -======================= -Welcome to scikit-learn -======================= - -| - -.. toctree:: - :maxdepth: 2 - - install - faq - support - related_projects - about - testimonials/testimonials - whats_new - roadmap - governance - -| diff --git a/doc/scss/api-search.scss b/doc/scss/api-search.scss new file mode 100644 index 0000000000000..51cf15f92c1cb --- /dev/null +++ b/doc/scss/api-search.scss @@ -0,0 +1,111 @@ +/** + * This is the styling for the API index page (`api/index`), in particular for the API + * search table. It involves overriding the style sheet of DataTables which does not + * fit well into the theme, especially in dark theme; see https://datatables.net/ + */ + +.dt-container { + margin-bottom: 2rem; + + // Fix the selection box for entries per page + select.dt-input { + padding: 0 !important; + margin-right: 0.4rem !important; + + > option { + color: var(--pst-color-text-base); + background-color: var(--pst-color-background); + } + } + + // Fix the search box + input.dt-input { + width: 50%; + line-height: normal; + padding: 0.1rem 0.3rem !important; + margin-left: 0.4rem !important; + } + + table.dataTable { + th { + // Avoid table header being too tall + p { + margin-bottom: 0; + } + + // Fix the ascending/descending order buttons in the header + span.dt-column-order { + &::before, + &::after { + color: var(--pst-color-text-base); + line-height: 0.7rem !important; + } + } + } + + td { + // Fix color of text warning no records found + &.dt-empty { + color: var(--pst-color-text-base) !important; + } + } + + // Unset bottom border of the last row + tr:last-child > * { + border-bottom: unset !important; + } + } + + div.dt-paging button.dt-paging-button { + padding: 0 0.5rem; + + &.disabled { + color: var(--pst-color-border) !important; + + // Overwrite the !important color assigned by DataTables because we must keep + // the color of disabled buttons consistent with and without hovering + &:hover { + color: var(--pst-color-border) !important; + } + } + + // Fix colors of paging buttons + &.current, + &:not(.disabled):not(.current):hover { + color: var(--pst-color-on-surface) !important; + border-color: var(--pst-color-surface) !important; + background: var(--pst-color-surface) !important; + } + + // Highlight the border of the current selected paging button + &.current { + border-color: var(--pst-color-text-base) !important; + } + } +} + +// Styling the object description cells in the table +div.sk-apisearch-desc { + p { + margin-bottom: 0; + } + + div.caption > p { + a, + code { + color: var(--pst-color-text-muted); + } + + code { + padding: 0; + font-size: 0.7rem; + font-weight: var(--pst-font-weight-caption); + background-color: transparent; + } + + .sd-badge { + font-size: 0.7rem; + margin-left: 0.3rem; + } + } +} diff --git a/doc/scss/api.scss b/doc/scss/api.scss new file mode 100644 index 0000000000000..d7110def4ac09 --- /dev/null +++ b/doc/scss/api.scss @@ -0,0 +1,52 @@ +/** + * This is the styling for API reference pages, currently under `modules/generated`. + * Note that it should be applied *ONLY* to API reference pages, as the selectors are + * designed based on how `autodoc` and `autosummary` generate the stuff. + */ + +// Make the admonitions more compact +div.versionadded, +div.versionchanged, +div.deprecated { + margin: 1rem auto; + + > p { + margin: 0.3rem auto; + } +} + +// Make docstrings more compact +dd { + p:not(table *) { + margin-bottom: 0.5rem !important; + } + + ul { + margin-bottom: 0.5rem !important; + padding-left: 2rem !important; + } +} + +// The first method is too close the the docstring above +dl.py.method:first-of-type { + margin-top: 2rem; +} + +// https://github.com/pydata/pydata-sphinx-theme/blob/8cf45f835bfdafc5f3821014a18f3b7e0fc2d44b/src/pydata_sphinx_theme/assets/styles/content/_api.scss +dl[class]:not(.option-list):not(.field-list):not(.footnote):not(.glossary):not(.simple) { + margin-bottom: 1.5rem; + + dd { + margin-left: 1.2rem; + } + + // "Parameters", "Returns", etc. in the docstring + dt.field-odd, + dt.field-even { + margin: 0.5rem 0; + + + dd > dl { + margin-bottom: 0.5rem; + } + } +} diff --git a/doc/scss/colors.scss b/doc/scss/colors.scss new file mode 100644 index 0000000000000..bbc6aa6c2a3d6 --- /dev/null +++ b/doc/scss/colors.scss @@ -0,0 +1,51 @@ +/** + * This is the style sheet for customized colors of scikit-learn. + * Tints and shades are generated by https://colorkit.co/color-shades-generator/ + * + * This file is compiled into styles/colors.css by sphinxcontrib.sass, see: + * https://sass-lang.com/guide/ + */ + +:root { + /* scikit-learn cyan */ + --sk-cyan-tint-9: #edf7fd; + --sk-cyan-tint-8: #daeffa; + --sk-cyan-tint-7: #c8e6f8; + --sk-cyan-tint-6: #b5def5; + --sk-cyan-tint-5: #a2d6f2; + --sk-cyan-tint-4: #8fcdef; + --sk-cyan-tint-3: #7ac5ec; + --sk-cyan-tint-2: #64bce9; + --sk-cyan-tint-1: #4bb4e5; + --sk-cyan: #29abe2; + --sk-cyan-shades-1: #2294c4; + --sk-cyan-shades-2: #1c7ea8; + --sk-cyan-shades-3: #15688c; + --sk-cyan-shades-4: #0f5471; + --sk-cyan-shades-5: #094057; + --sk-cyan-shades-6: #052d3e; + --sk-cyan-shades-7: #021b27; + --sk-cyan-shades-8: #010b12; + --sk-cyan-shades-9: #000103; + + /* scikit-learn orange */ + --sk-orange-tint-9: #fff5ec; + --sk-orange-tint-8: #ffead9; + --sk-orange-tint-7: #ffe0c5; + --sk-orange-tint-6: #ffd5b2; + --sk-orange-tint-5: #fecb9e; + --sk-orange-tint-4: #fdc08a; + --sk-orange-tint-3: #fcb575; + --sk-orange-tint-2: #fbaa5e; + --sk-orange-tint-1: #f99f44; + --sk-orange: #f7931e; + --sk-orange-shades-1: #d77f19; + --sk-orange-shades-2: #b76c13; + --sk-orange-shades-3: #99590e; + --sk-orange-shades-4: #7c4709; + --sk-orange-shades-5: #603605; + --sk-orange-shades-6: #452503; + --sk-orange-shades-7: #2c1601; + --sk-orange-shades-8: #150800; + --sk-orange-shades-9: #030100; +} diff --git a/doc/scss/custom.scss b/doc/scss/custom.scss new file mode 100644 index 0000000000000..ce4451fce4467 --- /dev/null +++ b/doc/scss/custom.scss @@ -0,0 +1,192 @@ +/** + * This is a general styling sheet. + * It should be used for customizations that affect multiple pages. + * + * This file is compiled into styles/custom.css by sphinxcontrib.sass, see: + * https://sass-lang.com/guide/ + */ + +/* Global */ + +code.literal { + border: 0; +} + +/* Version switcher */ + +.version-switcher__menu a.list-group-item.sk-avail-docs-link { + display: flex; + align-items: center; + + &:after { + content: var(--pst-icon-external-link); + font: var(--fa-font-solid); + font-size: 0.75rem; + margin-left: 0.5rem; + } +} + +/* Primary sidebar */ + +.bd-sidebar-primary { + width: 22.5%; + min-width: 16rem; + + // The version switcher button in the sidebar is ill-styled + button.version-switcher__button { + margin-bottom: unset; + margin-left: 0.3rem; + font-size: 1rem; + } + + // The section navigation part is to close to the right boundary (originally an even + // larger negative right margin was used) + nav.bd-links { + margin-right: -0.5rem; + } +} + +/* Article content */ + +.bd-article { + h1 { + font-weight: 500; + margin-bottom: 2rem; + } + + h2 { + font-weight: 500; + margin-bottom: 1.5rem; + } + + // Avoid changing the aspect ratio of images; add some padding so that at least + // there is some space between image and background in dark mode + img { + height: unset !important; + padding: 1%; + } + + // Resize table of contents to make the top few levels of headings more visible + li.toctree-l1 { + padding-bottom: 0.5em; + + > a { + font-size: 150%; + font-weight: bold; + } + } + + li.toctree-l2, + li.toctree-l3, + li.toctree-l4 { + margin-left: 15px; + } +} + +/* Dropdowns (sphinx-design) */ + +details.sd-dropdown { + &:hover > summary.sd-summary-title > a.headerlink { + visibility: visible; + } + + > summary.sd-summary-title { + > a.headerlink { + font-size: 1rem; + } + + // See `js/scripts/dropdown.js`: this is styling the "expand/collapse all" button + > button.sk-toggle-all { + color: var(--pst-sd-dropdown-color); + top: 0.9rem !important; + right: 3rem !important; + pointer-events: auto !important; + display: none; + border: none; + background: transparent; + } + } + + &[open] > summary.sd-summary-title:hover > .sd-summary-up.sk-toggle-all, + &:not([open]) + > summary.sd-summary-title:hover + > .sd-summary-down.sk-toggle-all { + display: block; + } +} + +/* scikit-learn buttons */ + +a.btn { + &.sk-btn-orange { + background-color: var(--sk-orange-tint-1); + color: black !important; + + &:hover { + background-color: var(--sk-orange-tint-3); + } + } + + &.sk-btn-cyan { + background-color: var(--sk-cyan-shades-2); + color: white !important; + + &:hover { + background-color: var(--sk-cyan-shades-1); + } + } +} + +/* scikit-learn avatar grid, see build_tools/generate_authors_table.py */ + +div.sk-authors-container { + display: flex; + flex-wrap: wrap; + justify-content: center; + + > div { + width: 6rem; + margin: 0.5rem; + font-size: 0.9rem; + } +} + +/* scikit-learn text-image grid, used in testimonials and sponsors pages */ + +@mixin sk-text-image-grid($img-max-height) { + display: flex; + align-items: center; + flex-wrap: wrap; + + div.text-box, + div.image-box { + width: 50%; + + @media screen and (max-width: 500px) { + width: 100%; + } + } + + div.text-box .annotation { + font-size: 0.9rem; + font-style: italic; + color: var(--pst-color-text-muted); + } + + div.image-box { + text-align: center; + + img { + max-height: $img-max-height; + max-width: 50%; + } + } +} + +div.sk-text-image-grid-small { + @include sk-text-image-grid(60px); +} + +div.sk-text-image-grid-large { + @include sk-text-image-grid(100px); +} diff --git a/doc/scss/index.scss b/doc/scss/index.scss new file mode 100644 index 0000000000000..c3bb8e86b41c6 --- /dev/null +++ b/doc/scss/index.scss @@ -0,0 +1,176 @@ +/** + * Styling sheet for the scikit-learn landing page. This should be loaded only for the + * landing page. + * + * This file is compiled into styles/index.css by sphinxcontrib.sass, see: + * https://sass-lang.com/guide/ + */ + +/* Theme-aware colors for the landing page */ + +html { + &[data-theme="light"] { + --sk-landing-bg-1: var(--sk-cyan-shades-3); + --sk-landing-bg-2: var(--sk-cyan); + --sk-landing-bg-3: var(--sk-orange-tint-8); + --sk-landing-bg-4: var(--sk-orange-tint-3); + } + + &[data-theme="dark"] { + --sk-landing-bg-1: var(--sk-cyan-shades-5); + --sk-landing-bg-2: var(--sk-cyan-shades-2); + --sk-landing-bg-3: var(--sk-orange-tint-4); + --sk-landing-bg-4: var(--sk-orange-tint-1); + } +} + +/* General */ + +div.sk-landing-container { + max-width: 1400px; +} + +/* Top bar */ + +div.sk-landing-top-bar { + background-image: linear-gradient( + 160deg, + var(--sk-landing-bg-1) 0%, + var(--sk-landing-bg-2) 17%, + var(--sk-landing-bg-3) 59%, + var(--sk-landing-bg-4) 100% + ); + + .sk-landing-header, + .sk-landing-subheader { + color: white; + text-shadow: 0px 0px 8px var(--sk-landing-bg-1); + } + + .sk-landing-header { + font-size: 3.2rem; + margin-bottom: 0.5rem; + } + + .sk-landing-subheader { + letter-spacing: 0.17rem; + margin-top: 0; + font-weight: 500; + } + + a.sk-btn-orange { + font-size: 1.1rem; + font-weight: 500; + } + + ul.sk-landing-header-body { + margin-top: auto; + margin-bottom: auto; + font-size: 1.2rem; + font-weight: 500; + color: black; + } +} + +/* Body */ + +div.sk-landing-body { + div.card { + background-color: var(--pst-color-background); + border-color: var(--pst-color-border); + } + + .sk-px-xl-4 { + @media screen and (min-width: 1200px) { + padding-left: 1.3rem !important; + padding-right: 1.3rem !important; + } + } + + .card-body { + p { + margin-bottom: 0.8rem; + color: var(--pst-color-text-base); + } + + .sk-card-title { + font-weight: 700; + margin: 0 0 1rem 0; + } + } + + .sk-card-img-container { + display: flex; + justify-content: center; + align-items: end; + margin-bottom: 1rem; + + img { + max-width: unset; + height: 15rem; + } + } +} + +/* More info */ + +div.sk-landing-more-info { + font-size: 0.96rem; + background-color: var(--pst-color-surface); + + .sk-landing-call-header { + font-weight: 700; + margin-top: 0; + + html[data-theme="light"] & { + color: var(--sk-orange-shades-1); + } + + html[data-theme="dark"] & { + color: var(--sk-orange); + } + } + + ul.sk-landing-call-list > li { + margin-bottom: 0.25rem; + } + + .sk-who-uses-carousel { + min-height: 200px; + + .carousel-item img { + max-height: 100px; + max-width: 50%; + margin: 0.5rem; + } + } + + .sk-more-testimonials { + text-align: right !important; + } +} + +/* Footer */ + +div.sk-landing-footer { + a.sk-footer-funding-link { + text-decoration: none; + + p.sk-footer-funding-text { + color: var(--pst-color-link); + + &:hover { + color: var(--pst-color-secondary); + } + } + + div.sk-footer-funding-logos > img { + max-height: 40px; + max-width: 85px; + margin: 0 8px 8px 8px; + padding: 5px; + border-radius: 3px; + background-color: white; + } + } +} diff --git a/doc/scss/install.scss b/doc/scss/install.scss new file mode 100644 index 0000000000000..92e201f00a107 --- /dev/null +++ b/doc/scss/install.scss @@ -0,0 +1,20 @@ +/** + * Styling for the installation page, including overriding some default styling of + * sphinx-design. This style sheet should be included only for the install page. + * + * This file is compiled into styles/install.css by sphinxcontrib.sass, see: + * https://sass-lang.com/guide/ + */ + +.install-instructions .sd-tab-set > label.sd-tab-label { + margin: 0; + text-align: center; + + &.tab-6 { + width: 50% !important; + } + + &.tab-4 { + width: calc(100% / 3) !important; + } +} diff --git a/doc/sphinxext/add_toctree_functions.py b/doc/sphinxext/add_toctree_functions.py deleted file mode 100644 index 4459ab971f4c4..0000000000000 --- a/doc/sphinxext/add_toctree_functions.py +++ /dev/null @@ -1,160 +0,0 @@ -"""Inspired by https://github.com/pandas-dev/pydata-sphinx-theme - -BSD 3-Clause License - -Copyright (c) 2018, pandas -All rights reserved. - -Redistribution and use in source and binary forms, with or without -modification, are permitted provided that the following conditions are met: - -* Redistributions of source code must retain the above copyright notice, this - list of conditions and the following disclaimer. - -* Redistributions in binary form must reproduce the above copyright notice, - this list of conditions and the following disclaimer in the documentation - and/or other materials provided with the distribution. - -* Neither the name of the copyright holder nor the names of its - contributors may be used to endorse or promote products derived from - this software without specific prior written permission. - -THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" -AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE -IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE -DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE -FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL -DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR -SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER -CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, -OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE -OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. -""" - -import docutils - - -def add_toctree_functions(app, pagename, templatename, context, doctree): - """Add functions so Jinja templates can add toctree objects. - - This converts the docutils nodes into a nested dictionary that Jinja can - use in our templating. - """ - from sphinx.environment.adapters.toctree import TocTree - - def get_nav_object(maxdepth=None, collapse=True, numbered=False, **kwargs): - """Return a list of nav links that can be accessed from Jinja. - - Parameters - ---------- - maxdepth: int - How many layers of TocTree will be returned - collapse: bool - Whether to only include sub-pages of the currently-active page, - instead of sub-pages of all top-level pages of the site. - numbered: bool - Whether to add section number to title - kwargs: key/val pairs - Passed to the `TocTree.get_toctree_for` Sphinx method - """ - # The TocTree will contain the full site TocTree including sub-pages. - # "collapse=True" collapses sub-pages of non-active TOC pages. - # maxdepth controls how many TOC levels are returned - toctree = TocTree(app.env).get_toctree_for( - pagename, app.builder, collapse=collapse, maxdepth=maxdepth, **kwargs - ) - # If no toctree is defined (AKA a single-page site), skip this - if toctree is None: - return [] - - # toctree has this structure - # - # - # - # - # `list_item`s are the actual TOC links and are the only thing we want - toc_items = [ - item - for child in toctree.children - for item in child - if isinstance(item, docutils.nodes.list_item) - ] - - # Now convert our docutils nodes into dicts that Jinja can use - nav = [ - docutils_node_to_jinja(child, only_pages=True, numbered=numbered) - for child in toc_items - ] - - return nav - - context["get_nav_object"] = get_nav_object - - -def docutils_node_to_jinja(list_item, only_pages=False, numbered=False): - """Convert a docutils node to a structure that can be read by Jinja. - - Parameters - ---------- - list_item : docutils list_item node - A parent item, potentially with children, corresponding to the level - of a TocTree. - only_pages : bool - Only include items for full pages in the output dictionary. Exclude - anchor links (TOC items with a URL that starts with #) - numbered: bool - Whether to add section number to title - - Returns - ------- - nav : dict - The TocTree, converted into a dictionary with key/values that work - within Jinja. - """ - if not list_item.children: - return None - - # We assume this structure of a list item: - # - # - # <-- the thing we want - reference = list_item.children[0].children[0] - title = reference.astext() - url = reference.attributes["refuri"] - active = "current" in list_item.attributes["classes"] - - secnumber = reference.attributes.get("secnumber", None) - if numbered and secnumber is not None: - secnumber = ".".join(str(n) for n in secnumber) - title = f"{secnumber}. {title}" - - # If we've got an anchor link, skip it if we wish - if only_pages and "#" in url: - return None - - # Converting the docutils attributes into jinja-friendly objects - nav = {} - nav["title"] = title - nav["url"] = url - nav["active"] = active - - # Recursively convert children as well - # If there are sub-pages for this list_item, there should be two children: - # a paragraph, and a bullet_list. - nav["children"] = [] - if len(list_item.children) > 1: - # The `.children` of the bullet_list has the nodes of the sub-pages. - subpage_list = list_item.children[1].children - for sub_page in subpage_list: - child_nav = docutils_node_to_jinja( - sub_page, only_pages=only_pages, numbered=numbered - ) - if child_nav is not None: - nav["children"].append(child_nav) - return nav - - -def setup(app): - app.connect("html-page-context", add_toctree_functions) - - return {"parallel_read_safe": True, "parallel_write_safe": True} diff --git a/doc/sphinxext/autoshortsummary.py b/doc/sphinxext/autoshortsummary.py new file mode 100644 index 0000000000000..8451f3133d05b --- /dev/null +++ b/doc/sphinxext/autoshortsummary.py @@ -0,0 +1,53 @@ +from sphinx.ext.autodoc import ModuleLevelDocumenter + + +class ShortSummaryDocumenter(ModuleLevelDocumenter): + """An autodocumenter that only renders the short summary of the object.""" + + # Defines the usage: .. autoshortsummary:: {{ object }} + objtype = "shortsummary" + + # Disable content indentation + content_indent = "" + + # Avoid being selected as the default documenter for some objects, because we are + # returning `can_document_member` as True for all objects + priority = -99 + + @classmethod + def can_document_member(cls, member, membername, isattr, parent): + """Allow documenting any object.""" + return True + + def get_object_members(self, want_all): + """Document no members.""" + return (False, []) + + def add_directive_header(self, sig): + """Override default behavior to add no directive header or options.""" + pass + + def add_content(self, more_content): + """Override default behavior to add only the first line of the docstring. + + Modified based on the part of processing docstrings in the original + implementation of this method. + + https://github.com/sphinx-doc/sphinx/blob/faa33a53a389f6f8bc1f6ae97d6015fa92393c4a/sphinx/ext/autodoc/__init__.py#L609-L622 + """ + sourcename = self.get_sourcename() + docstrings = self.get_doc() + + if docstrings is not None: + if not docstrings: + docstrings.append([]) + # Get the first non-empty line of the processed docstring; this could lead + # to unexpected results if the object does not have a short summary line. + short_summary = next( + (s for s in self.process_doc(docstrings) if s), "" + ) + self.add_line(short_summary, sourcename, 0) + + +def setup(app): + app.add_autodocumenter(ShortSummaryDocumenter) diff --git a/doc/sphinxext/dropdown_anchors.py b/doc/sphinxext/dropdown_anchors.py new file mode 100644 index 0000000000000..eb0b414de6ae8 --- /dev/null +++ b/doc/sphinxext/dropdown_anchors.py @@ -0,0 +1,78 @@ +import re + +from docutils import nodes +from sphinx.transforms.post_transforms import SphinxPostTransform +from sphinx_design.dropdown import dropdown_main, dropdown_title + + +class DropdownAnchorAdder(SphinxPostTransform): + """Insert anchor links to the sphinx-design dropdowns. + + Some of the dropdowns were originally headers that had automatic anchors, so we + need to make sure that the old anchors still work. See the original implementation + (in JS): https://github.com/scikit-learn/scikit-learn/pull/27409 + + The structure of each sphinx-design dropdown node is expected to be: + + + + ...icon <-- This exists if the "icon" option of the sphinx-design + dropdown is set; we do not use it in our documentation + + ...title <-- This may contain multiple nodes, e.g. literal nodes if + there are inline codes; we use the concatenated text of + all these nodes to generate the anchor ID + + Here we insert the anchor link! + + <-- The "dropdown closed" marker + <-- The "dropdown open" marker + + + ...main contents + + + """ + + default_priority = 9999 # Apply later than everything else + formats = ["html"] + + def run(self): + """Run the post transformation.""" + # Counter to store the duplicated summary text to add it as a suffix in the + # anchor ID + anchor_id_counters = {} + + for sd_dropdown in self.document.findall(dropdown_main): + # Grab the dropdown title + sd_dropdown_title = sd_dropdown.next_node(dropdown_title) + + # Concatenate the text of relevant nodes as the title text + # Since we do not have the prefix icon, the relevant nodes are the very + # first child node until the third last node (last two are markers) + title_text = "".join( + node.astext() for node in sd_dropdown_title.children[:-2] + ) + + # The ID uses the first line, lowercased, with spaces replaced by dashes; + # suffix the anchor ID with a counter if it already exists + anchor_id = re.sub(r"\s+", "-", title_text.strip().split("\n")[0]).lower() + if anchor_id in anchor_id_counters: + anchor_id_counters[anchor_id] += 1 + anchor_id = f"{anchor_id}-{anchor_id_counters[anchor_id]}" + else: + anchor_id_counters[anchor_id] = 1 + sd_dropdown["ids"].append(anchor_id) + + # Create the anchor element and insert after the title text; we do this + # directly with raw HTML + anchor_html = ( + f'#' + ) + anchor_node = nodes.raw("", anchor_html, format="html") + sd_dropdown_title.insert(-2, anchor_node) # before the two markers + + +def setup(app): + app.add_post_transform(DropdownAnchorAdder) diff --git a/doc/sphinxext/move_gallery_links.py b/doc/sphinxext/move_gallery_links.py new file mode 100644 index 0000000000000..dff27f7358c7f --- /dev/null +++ b/doc/sphinxext/move_gallery_links.py @@ -0,0 +1,193 @@ +""" +This script intends to better integrate sphinx-gallery into pydata-sphinx-theme. In +particular, it moves the download links and badge links in the footer of each generated +example page into the secondary sidebar, then removes the footer and the top note +pointing to the footer. + +The download links are for Python source code and Jupyter notebook respectively, and +the badge links are for JupyterLite and Binder. + +Currently this is achieved via post-processing the HTML generated by sphinx-gallery. +This hack can be removed if the following upstream issue is resolved: +https://github.com/sphinx-gallery/sphinx-gallery/issues/1258 +""" + +from pathlib import Path + +from bs4 import BeautifulSoup +from sphinx.util.display import status_iterator +from sphinx.util.logging import getLogger + +logger = getLogger(__name__) + + +def move_gallery_links(app, exception): + if exception is not None: + return + + for gallery_dir in app.config.sphinx_gallery_conf["gallery_dirs"]: + html_gallery_dir = Path(app.builder.outdir, gallery_dir) + + # Get all gallery example files to be tweaked; tuples (file, docname) + flat = [] + for file in html_gallery_dir.rglob("*.html"): + if file.name in ("index.html", "sg_execution_times.html"): + # These are not gallery example pages, skip + continue + + # Extract the documentation name from the path + docname = file.relative_to(app.builder.outdir).with_suffix("").as_posix() + if docname in app.config.html_context["redirects"]: + # This is a redirected page, skip + continue + if docname not in app.project.docnames: + # This should not happen, warn + logger.warning(f"Document {docname} not found but {file} exists") + continue + flat.append((file, docname)) + + for html_file, _ in status_iterator( + flat, + length=len(flat), + summary="Tweaking gallery links... ", + verbosity=app.verbosity, + stringify_func=lambda x: x[1], # display docname + ): + with html_file.open("r", encoding="utf-8") as f: + html = f.read() + soup = BeautifulSoup(html, "html.parser") + + # Find the secondary sidebar; it should exist in all gallery example pages + secondary_sidebar = soup.find("div", class_="sidebar-secondary-items") + if secondary_sidebar is None: + logger.warning(f"Secondary sidebar not found in {html_file}") + continue + + def _create_secondary_sidebar_component(items): + """Create a new component in the secondary sidebar. + + `items` should be a list of dictionaries with "element" being the bs4 + tag of the component and "title" being the title (None if not needed). + """ + component = soup.new_tag("div", **{"class": "sidebar-secondary-item"}) + for item in items: + item_wrapper = soup.new_tag("div") + item_wrapper.append(item["element"]) + if item["title"]: + item_wrapper["title"] = item["title"] + component.append(item_wrapper) + secondary_sidebar.append(component) + + def _create_download_link(link, is_jupyter=False): + """Create a download link to be appended to a component. + + `link` should be the bs4 tag of the original download link, either for + the Python source code (is_jupyter=False) of for the Jupyter notebook + (is_jupyter=True). `link` will not be removed; instead the whole + footnote would be removed where `link` is located. + + This returns a dictionary with "element" being the bs4 tag of the new + download link and "title" being the name of the file to download. + """ + new_link = soup.new_tag("a", href=link["href"], download="") + + # Place a download icon at the beginning of the new link + download_icon = soup.new_tag("i", **{"class": "fa-solid fa-download"}) + new_link.append(download_icon) + + # Create the text of the new link; it is shortend to fit better into + # the secondary sidebar. The leading space before "Download ..." is + # intentional to create a small gap between the icon and the text, + # being consistent with the other pydata-sphinx-theme components + link_type = "Jupyter notebook" if is_jupyter else "source code" + new_text = soup.new_string(f" Download {link_type}") + new_link.append(new_text) + + # Get the file name to download and use it as the title of the new link + # which will show up when hovering over the link; the file name is + # expected to be in the last span of `link` + link_spans = link.find_all("span") + title = link_spans[-1].text if link_spans else None + + return {"element": new_link, "title": title} + + def _create_badge_link(link): + """Create a badge link to be appended to a component. + + `link` should be the bs4 tag of the original badge link, either for + binder or JupyterLite. `link` will not be removed; instead the whole + footnote would be removed where `link` is located. + + This returns a dictionary with "element" being the bs4 tag of the new + download link and "title" being `None` (no need). + """ + new_link = soup.new_tag("a", href=link["href"]) + + # The link would essentially be an anchor wrapper outside the image of + # the badge; we get the src and alt attributes by finding the original + # image and limit the height to 20px (fixed) so that the secondary + # sidebar will appear neater + badge_img = link.find("img") + new_img = soup.new_tag( + "img", src=badge_img["src"], alt=badge_img["alt"], height=20 + ) + new_link.append(new_img) + + return {"element": new_link, "title": None} + + try: + # `sg_note` is the "go to the end" note at the top of the page + # `sg_footer` is the footer with the download links and badge links + # These will be removed at the end if new links are successfully created + sg_note = soup.find("div", class_="sphx-glr-download-link-note") + sg_footer = soup.find("div", class_="sphx-glr-footer") + + # If any one of these two is not found, we directly give up tweaking + if sg_note is None or sg_footer is None: + continue + + # Move the download links into the secondary sidebar + py_link_div = sg_footer.find("div", class_="sphx-glr-download-python") + ipy_link_div = sg_footer.find("div", class_="sphx-glr-download-jupyter") + _create_secondary_sidebar_component( + [ + _create_download_link(py_link_div.a, is_jupyter=False), + _create_download_link(ipy_link_div.a, is_jupyter=True), + ] + ) + + # Move the badge links into the secondary sidebar + lite_link_div = sg_footer.find("div", class_="lite-badge") + binder_link_div = sg_footer.find("div", class_="binder-badge") + _create_secondary_sidebar_component( + [ + _create_badge_link(lite_link_div.a), + _create_badge_link(binder_link_div.a), + ] + ) + + # Remove the sourcelink component from the secondary sidebar; the reason + # we do not remove it by configuration is that we need the secondary + # sidebar to be present for this script to work, while in-page toc alone + # could have been empty + sourcelink = secondary_sidebar.find("div", class_="sourcelink") + if sourcelink is not None: + sourcelink.parent.extract() # because sourcelink has a wrapper div + + # Remove the the top note and the whole footer + sg_note.extract() + sg_footer.extract() + + except Exception: + # If any step fails we directly skip the file + continue + + # Write the modified file back + with html_file.open("w", encoding="utf-8") as f: + f.write(str(soup)) + + +def setup(app): + # Default priority is 500 which sphinx-gallery uses for its build-finished events; + # we need a larger priority to run after sphinx-gallery (larger is later) + app.connect("build-finished", move_gallery_links, priority=900) diff --git a/doc/sphinxext/override_pst_pagetoc.py b/doc/sphinxext/override_pst_pagetoc.py new file mode 100644 index 0000000000000..f5697de8ef155 --- /dev/null +++ b/doc/sphinxext/override_pst_pagetoc.py @@ -0,0 +1,84 @@ +from functools import cache + +from sphinx.util.logging import getLogger + +logger = getLogger(__name__) + + +def override_pst_pagetoc(app, pagename, templatename, context, doctree): + """Overrides the `generate_toc_html` function of pydata-sphinx-theme for API.""" + + @cache + def generate_api_toc_html(kind="html"): + """Generate the in-page toc for an API page. + + This relies on the `generate_toc_html` function added by pydata-sphinx-theme + into the context. We save the original function into `pst_generate_toc_html` + and override `generate_toc_html` with this function for generated API pages. + + The pagetoc of an API page would look like the following: + +
      <-- Unwrap +
    • <-- Unwrap + {{obj}} <-- Decompose + +
        +
      • + ...object +
          <-- Set visible if exists +
        • ...method 1
        • <-- Shorten +
        • ...method 2
        • <-- Shorten + ...more methods <-- Shorten +
        +
      • +
      • ...gallery examples
      • +
      + +
    • <-- Unwrapped +
    <-- Unwrapped + """ + soup = context["pst_generate_toc_html"](kind="soup") + + try: + # Unwrap the outermost level + soup.ul.unwrap() + soup.li.unwrap() + soup.a.decompose() + + # Get all toc-h2 level entries, where the first one should be the function + # or class, and the second one, if exists, should be the examples; there + # should be no more than two entries at this level for generated API pages + lis = soup.ul.select("li.toc-h2") + main_li = lis[0] + meth_list = main_li.ul + + if meth_list is not None: + # This is a class API page, we remove the class name from the method + # names to make them better fit into the secondary sidebar; also we + # make the toc-h3 level entries always visible to more easily navigate + # through the methods + meth_list["class"].append("visible") + for meth in meth_list.find_all("li", {"class": "toc-h3"}): + target = meth.a.code.span + target.string = target.string.split(".", 1)[1] + + # This corresponds to the behavior of `generate_toc_html` + return str(soup) if kind == "html" else soup + + except Exception as e: + # Upon any failure we return the original pagetoc + logger.warning( + f"Failed to generate API pagetoc for {pagename}: {e}; falling back" + ) + return context["pst_generate_toc_html"](kind=kind) + + # Override the pydata-sphinx-theme implementation for generate API pages + if pagename.startswith("modules/generated/"): + context["pst_generate_toc_html"] = context["generate_toc_html"] + context["generate_toc_html"] = generate_api_toc_html + + +def setup(app): + # Need to be triggered after `pydata_sphinx_theme.toctree.add_toctree_functions`, + # and since default priority is 500 we set 900 for safety + app.connect("html-page-context", override_pst_pagetoc, priority=900) diff --git a/doc/supervised_learning.rst b/doc/supervised_learning.rst index 71fb3007c2e3c..ba24e8ee23c6f 100644 --- a/doc/supervised_learning.rst +++ b/doc/supervised_learning.rst @@ -1,9 +1,3 @@ -.. Places parent toc into the sidebar - -:parenttoc: True - -.. include:: includes/big_toc_css.rst - .. _supervised-learning: Supervised learning diff --git a/doc/templates/base.rst b/doc/templates/base.rst new file mode 100644 index 0000000000000..ee86bd8a18dbe --- /dev/null +++ b/doc/templates/base.rst @@ -0,0 +1,36 @@ +{{ objname | escape | underline(line="=") }} + +{% if objtype == "module" -%} + +.. automodule:: {{ fullname }} + +{%- elif objtype == "function" -%} + +.. currentmodule:: {{ module }} + +.. autofunction:: {{ objname }} + +.. minigallery:: {{ module }}.{{ objname }} + :add-heading: Gallery examples + :heading-level: - + +{%- elif objtype == "class" -%} + +.. currentmodule:: {{ module }} + +.. autoclass:: {{ objname }} + :members: + :inherited-members: + :special-members: __call__ + +.. minigallery:: {{ module }}.{{ objname }} {% for meth in methods %}{{ module }}.{{ objname }}.{{ meth }} {% endfor %} + :add-heading: Gallery examples + :heading-level: - + +{%- else -%} + +.. currentmodule:: {{ module }} + +.. auto{{ objtype }}:: {{ objname }} + +{%- endif -%} diff --git a/doc/templates/class.rst b/doc/templates/class.rst deleted file mode 100644 index 1e98be4099b73..0000000000000 --- a/doc/templates/class.rst +++ /dev/null @@ -1,17 +0,0 @@ -.. - The empty line below should not be removed. It is added such that the `rst_prolog` - is added before the :mod: directive. Otherwise, the rendering will show as a - paragraph instead of a header. - -:mod:`{{module}}`.{{objname}} -{{ underline }}============== - -.. currentmodule:: {{ module }} - -.. autoclass:: {{ objname }} - -.. include:: {{module}}.{{objname}}.examples - -.. raw:: html - -
    diff --git a/doc/templates/class_with_call.rst b/doc/templates/class_with_call.rst deleted file mode 100644 index bc1567709c9d3..0000000000000 --- a/doc/templates/class_with_call.rst +++ /dev/null @@ -1,21 +0,0 @@ -.. - The empty line below should not be removed. It is added such that the `rst_prolog` - is added before the :mod: directive. Otherwise, the rendering will show as a - paragraph instead of a header. - -:mod:`{{module}}`.{{objname}} -{{ underline }}=============== - -.. currentmodule:: {{ module }} - -.. autoclass:: {{ objname }} - - {% block methods %} - .. automethod:: __call__ - {% endblock %} - -.. include:: {{module}}.{{objname}}.examples - -.. raw:: html - -
    diff --git a/doc/templates/deprecated_class.rst b/doc/templates/deprecated_class.rst deleted file mode 100644 index 5c31936f6fc36..0000000000000 --- a/doc/templates/deprecated_class.rst +++ /dev/null @@ -1,28 +0,0 @@ -.. - The empty line below should not be removed. It is added such that the `rst_prolog` - is added before the :mod: directive. Otherwise, the rendering will show as a - paragraph instead of a header. - -:mod:`{{module}}`.{{objname}} -{{ underline }}============== - -.. meta:: - :robots: noindex - -.. warning:: - **DEPRECATED** - - -.. currentmodule:: {{ module }} - -.. autoclass:: {{ objname }} - - {% block methods %} - .. automethod:: __init__ - {% endblock %} - -.. include:: {{module}}.{{objname}}.examples - -.. raw:: html - -
    diff --git a/doc/templates/deprecated_class_with_call.rst b/doc/templates/deprecated_class_with_call.rst deleted file mode 100644 index 072a31112be50..0000000000000 --- a/doc/templates/deprecated_class_with_call.rst +++ /dev/null @@ -1,29 +0,0 @@ -.. - The empty line below should not be removed. It is added such that the `rst_prolog` - is added before the :mod: directive. Otherwise, the rendering will show as a - paragraph instead of a header. - -:mod:`{{module}}`.{{objname}} -{{ underline }}=============== - -.. meta:: - :robots: noindex - -.. warning:: - **DEPRECATED** - - -.. currentmodule:: {{ module }} - -.. autoclass:: {{ objname }} - - {% block methods %} - .. automethod:: __init__ - .. automethod:: __call__ - {% endblock %} - -.. include:: {{module}}.{{objname}}.examples - -.. raw:: html - -
    diff --git a/doc/templates/deprecated_class_without_init.rst b/doc/templates/deprecated_class_without_init.rst deleted file mode 100644 index a26afbead5451..0000000000000 --- a/doc/templates/deprecated_class_without_init.rst +++ /dev/null @@ -1,24 +0,0 @@ -.. - The empty line below should not be removed. It is added such that the `rst_prolog` - is added before the :mod: directive. Otherwise, the rendering will show as a - paragraph instead of a header. - -:mod:`{{module}}`.{{objname}} -{{ underline }}============== - -.. meta:: - :robots: noindex - -.. warning:: - **DEPRECATED** - - -.. currentmodule:: {{ module }} - -.. autoclass:: {{ objname }} - -.. include:: {{module}}.{{objname}}.examples - -.. raw:: html - -
    diff --git a/doc/templates/deprecated_function.rst b/doc/templates/deprecated_function.rst deleted file mode 100644 index ead5abec27076..0000000000000 --- a/doc/templates/deprecated_function.rst +++ /dev/null @@ -1,24 +0,0 @@ -.. - The empty line below should not be removed. It is added such that the `rst_prolog` - is added before the :mod: directive. Otherwise, the rendering will show as a - paragraph instead of a header. - -:mod:`{{module}}`.{{objname}} -{{ underline }}==================== - -.. meta:: - :robots: noindex - -.. warning:: - **DEPRECATED** - - -.. currentmodule:: {{ module }} - -.. autofunction:: {{ objname }} - -.. include:: {{module}}.{{objname}}.examples - -.. raw:: html - -
    diff --git a/doc/templates/display_all_class_methods.rst b/doc/templates/display_all_class_methods.rst deleted file mode 100644 index b179473cf841e..0000000000000 --- a/doc/templates/display_all_class_methods.rst +++ /dev/null @@ -1,19 +0,0 @@ -.. - The empty line below should not be removed. It is added such that the `rst_prolog` - is added before the :mod: directive. Otherwise, the rendering will show as a - paragraph instead of a header. - -:mod:`{{module}}`.{{objname}} -{{ underline }}============== - -.. currentmodule:: {{ module }} - -.. autoclass:: {{ objname }} - -.. include:: {{module}}.{{objname}}.examples -.. include:: {{module}}.{{objname}}.from_estimator.examples -.. include:: {{module}}.{{objname}}.from_predictions.examples - -.. raw:: html - -
    diff --git a/doc/templates/display_only_from_estimator.rst b/doc/templates/display_only_from_estimator.rst deleted file mode 100644 index 9981910dc8be7..0000000000000 --- a/doc/templates/display_only_from_estimator.rst +++ /dev/null @@ -1,18 +0,0 @@ -.. - The empty line below should not be removed. It is added such that the `rst_prolog` - is added before the :mod: directive. Otherwise, the rendering will show as a - paragraph instead of a header. - -:mod:`{{module}}`.{{objname}} -{{ underline }}============== - -.. currentmodule:: {{ module }} - -.. autoclass:: {{ objname }} - -.. include:: {{module}}.{{objname}}.examples -.. include:: {{module}}.{{objname}}.from_estimator.examples - -.. raw:: html - -
    diff --git a/doc/templates/function.rst b/doc/templates/function.rst deleted file mode 100644 index 93d368ecfe6d5..0000000000000 --- a/doc/templates/function.rst +++ /dev/null @@ -1,17 +0,0 @@ -.. - The empty line below should not be removed. It is added such that the `rst_prolog` - is added before the :mod: directive. Otherwise, the rendering will show as a - paragraph instead of a header. - -:mod:`{{module}}`.{{objname}} -{{ underline }}==================== - -.. currentmodule:: {{ module }} - -.. autofunction:: {{ objname }} - -.. include:: {{module}}.{{objname}}.examples - -.. raw:: html - -
    diff --git a/doc/templates/generate_deprecated.sh b/doc/templates/generate_deprecated.sh deleted file mode 100755 index a7301fb5dc419..0000000000000 --- a/doc/templates/generate_deprecated.sh +++ /dev/null @@ -1,8 +0,0 @@ -#!/bin/bash -for f in [^d]*; do (head -n2 < $f; echo ' -.. meta:: - :robots: noindex - -.. warning:: - **DEPRECATED** -'; tail -n+3 $f) > deprecated_$f; done diff --git a/doc/templates/index.html b/doc/templates/index.html index a3c91c30ca765..61457be2494ea 100644 --- a/doc/templates/index.html +++ b/doc/templates/index.html @@ -1,25 +1,27 @@ {% extends "layout.html" %} {% set title = 'scikit-learn: machine learning in Python' %} -{% if theme_link_to_live_contributing_page|tobool %} +{% if is_devrelease|tobool %} + {%- set contributing_link = pathto("developers/contributing") %} + {%- set contributing_attrs = "" %} +{%- else %} {%- set contributing_link = "https://scikit-learn.org/dev/developers/contributing.html" %} {%- set contributing_attrs = 'target="_blank" rel="noopener noreferrer"' %} -{%- else %} - {%- set contributing_link = pathto('developers/contributing') %} - {%- set contributing_attrs = '' %} {%- endif %} +{%- import "static/webpack-macros.html" as _webpack with context %} -{% block content %} -
    +{% block docs_navbar %} +{{ super() }} + +
    -

    scikit-learn

    -

    Machine Learning in Python

    - Getting Started - Release Highlights for {{ release_highlights_version }} - GitHub +

    scikit-learn

    +

    Machine Learning in Python

    + Getting Started + Release Highlights for {{ release_highlights_version }}
      @@ -33,239 +35,279 @@

      Machine Learning in

    -
    +{% endblock docs_navbar %} + +{% block docs_main %} + +
    +
    -
    +
    -

    Classification

    -

    Identifying which category an object belongs to.

    -

    Applications: Spam detection, image recognition.
    - Algorithms: - Gradient boosting, - nearest neighbors, - random forest, - logistic regression, - and more...

    +

    + Classification +

    +

    Identifying which category an object belongs to.

    +

    + Applications: Spam detection, image recognition.
    + Algorithms: + Gradient boosting, + nearest neighbors, + random forest, + logistic regression, + and more... +

    -
    +
    -
    +
    -

    Regression

    -

    Predicting a continuous-valued attribute associated with an object.

    -

    Applications: Drug response, Stock prices.
    - Algorithms: - Gradient boosting, - nearest neighbors, - random forest, - ridge, - and more...

    +

    + Regression +

    +

    Predicting a continuous-valued attribute associated with an object.

    +

    + Applications: Drug response, stock prices.
    + Algorithms: + Gradient boosting, + nearest neighbors, + random forest, + ridge, + and more... +

    -
    +
    -
    +
    -

    Clustering

    -

    Automatic grouping of similar objects into sets.

    -

    Applications: Customer segmentation, Grouping experiment outcomes
    - Algorithms: - k-Means, - HDBSCAN, - hierarchical - clustering, - and more...

    +

    + Clustering +

    +

    Automatic grouping of similar objects into sets.

    +

    + Applications: Customer segmentation, grouping experiment outcomes.
    + Algorithms: + k-Means, + HDBSCAN, + hierarchical clustering, + and more... +

    -
    +
    -
    +
    -

    Dimensionality reduction

    -

    Reducing the number of random variables to consider.

    -

    Applications: Visualization, Increased efficiency
    - Algorithms: - PCA, - feature selection, - non-negative matrix factorization, - and more...

    +

    + Dimensionality reduction +

    +

    Reducing the number of random variables to consider.

    +

    + Applications: Visualization, increased efficiency.
    + Algorithms: + PCA, + feature selection, + non-negative matrix factorization, + and more... +

    -
    +
    -
    +
    -

    Model selection

    -

    Comparing, validating and choosing parameters and models.

    -

    Applications: Improved accuracy via parameter tuning
    - Algorithms: - grid search, - cross validation, - metrics, - and more...

    +

    + Model selection +

    +

    Comparing, validating and choosing parameters and models.

    +

    + Applications: Improved accuracy via parameter tuning.
    + Algorithms: + Grid search, + cross validation, + metrics, + and more... +

    -
    +
    -
    +
    -

    Preprocessing

    -

    Feature extraction and normalization.

    -

    Applications: Transforming input data such as text for use with machine learning algorithms.
    - Algorithms: - preprocessing, - feature extraction, - and more...

    +

    + Preprocessing +

    +

    Feature extraction and normalization.

    +

    + Applications: Transforming input data such as text for use with machine learning algorithms.
    + Algorithms: + Preprocessing, + feature extraction, + and more... +

    -
    -
    -
    +{% endblock docs_main %} + +{% block footer %} + +
    +
    +

    News

      -
    • On-going development: - scikit-learn 1.5 (Changelog) -
    • -
    • April 2024. scikit-learn 1.4.2 is available for download (Changelog). -
    • -
    • February 2024. scikit-learn 1.4.1.post1 is available for download (Changelog). -
    • -
    • January 2024. scikit-learn 1.4.0 is available for download (Changelog). -
    • -
    • October 2023. scikit-learn 1.3.2 is available for download (Changelog). -
    • -
    • September 2023. scikit-learn 1.3.1 is available for download (Changelog). -
    • -
    • June 2023. scikit-learn 1.3.0 is available for download (Changelog). -
    • -
    • All releases: - What's new (Changelog) -
    • +
    • On-going development: scikit-learn 1.6 (Changelog).
    • +
    • May 2024. scikit-learn 1.5.0 is available for download (Changelog).
    • +
    • April 2024. scikit-learn 1.4.2 is available for download (Changelog).
    • +
    • February 2024. scikit-learn 1.4.1.post1 is available for download (Changelog).
    • +
    • January 2024. scikit-learn 1.4.0 is available for download (Changelog).
    • +
    • October 2023. scikit-learn 1.3.2 is available for download (Changelog).
    • +
    • September 2023. scikit-learn 1.3.1 is available for download (Changelog).
    • +
    • June 2023. scikit-learn 1.3.0 is available for download (Changelog).
    • +
    • All releases: What's new (Changelog).
    +

    Community

    - - Help us, donate! - Cite us! +

    + Help us, donate! + Cite us! +

    +

    Who uses scikit-learn?

    -
    -
    + +