from math import ceil import pytest from scipy.stats import norm, randint import numpy as np from sklearn.datasets import make_classification from sklearn.dummy import DummyClassifier from sklearn.experimental import enable_halving_search_cv # noqa from sklearn.model_selection import StratifiedKFold from sklearn.model_selection import StratifiedShuffleSplit from sklearn.model_selection import LeaveOneGroupOut from sklearn.model_selection import LeavePGroupsOut from sklearn.model_selection import GroupKFold from sklearn.model_selection import GroupShuffleSplit from sklearn.model_selection import HalvingGridSearchCV from sklearn.model_selection import HalvingRandomSearchCV from sklearn.model_selection import KFold, ShuffleSplit from sklearn.svm import LinearSVC from sklearn.model_selection._search_successive_halving import ( _SubsampleMetaSplitter, _top_k, _refit_callable) class FastClassifier(DummyClassifier): """Dummy classifier that accepts parameters a, b, ... z. These parameter don't affect the predictions and are useful for fast grid searching.""" def __init__(self, strategy='stratified', random_state=None, constant=None, **kwargs): super().__init__(strategy=strategy, random_state=random_state, constant=constant) def get_params(self, deep=False): params = super().get_params(deep=deep) for char in range(ord('a'), ord('z') + 1): params[chr(char)] = 'whatever' return params @pytest.mark.parametrize('Est', (HalvingGridSearchCV, HalvingRandomSearchCV)) @pytest.mark.parametrize( ('aggressive_elimination,' 'max_resources,' 'expected_n_iterations,' 'expected_n_required_iterations,' 'expected_n_possible_iterations,' 'expected_n_remaining_candidates,' 'expected_n_candidates,' 'expected_n_resources,'), [ # notice how it loops at the beginning # also, the number of candidates evaluated at the last iteration is # <= factor (True, 'limited', 4, 4, 3, 1, [60, 20, 7, 3], [20, 20, 60, 180]), # no aggressive elimination: we end up with less iterations, and # the number of candidates at the last iter is > factor, which isn't # ideal (False, 'limited', 3, 4, 3, 3, [60, 20, 7], [20, 60, 180]), # # When the amount of resource isn't limited, aggressive_elimination # # has no effect. Here the default min_resources='exhaust' will take # # over. (True, 'unlimited', 4, 4, 4, 1, [60, 20, 7, 3], [37, 111, 333, 999]), (False, 'unlimited', 4, 4, 4, 1, [60, 20, 7, 3], [37, 111, 333, 999]), ] ) def test_aggressive_elimination( Est, aggressive_elimination, max_resources, expected_n_iterations, expected_n_required_iterations, expected_n_possible_iterations, expected_n_remaining_candidates, expected_n_candidates, expected_n_resources): # Test the aggressive_elimination parameter. n_samples = 1000 X, y = make_classification(n_samples=n_samples, random_state=0) param_grid = {'a': ('l1', 'l2'), 'b': list(range(30))} base_estimator = FastClassifier() if max_resources == 'limited': max_resources = 180 else: max_resources = n_samples sh = Est(base_estimator, param_grid, aggressive_elimination=aggressive_elimination, max_resources=max_resources, factor=3) sh.set_params(verbose=True) # just for test coverage if Est is HalvingRandomSearchCV: # same number of candidates as with the grid sh.set_params(n_candidates=2 * 30, min_resources='exhaust') sh.fit(X, y) assert sh.n_iterations_ == expected_n_iterations assert sh.n_required_iterations_ == expected_n_required_iterations assert sh.n_possible_iterations_ == expected_n_possible_iterations assert sh.n_resources_ == expected_n_resources assert sh.n_candidates_ == expected_n_candidates assert sh.n_remaining_candidates_ == expected_n_remaining_candidates assert ceil(sh.n_candidates_[-1] / sh.factor) == sh.n_remaining_candidates_ @pytest.mark.parametrize('Est', (HalvingGridSearchCV, HalvingRandomSearchCV)) @pytest.mark.parametrize( ('min_resources,' 'max_resources,' 'expected_n_iterations,' 'expected_n_possible_iterations,' 'expected_n_resources,'), [ # with enough resources ('smallest', 'auto', 2, 4, [20, 60]), # with enough resources but min_resources set manually (50, 'auto', 2, 3, [50, 150]), # without enough resources, only one iteration can be done ('smallest', 30, 1, 1, [20]), # with exhaust: use as much resources as possible at the last iter ('exhaust', 'auto', 2, 2, [333, 999]), ('exhaust', 1000, 2, 2, [333, 999]), ('exhaust', 999, 2, 2, [333, 999]), ('exhaust', 600, 2, 2, [200, 600]), ('exhaust', 599, 2, 2, [199, 597]), ('exhaust', 300, 2, 2, [100, 300]), ('exhaust', 60, 2, 2, [20, 60]), ('exhaust', 50, 1, 1, [20]), ('exhaust', 20, 1, 1, [20]), ] ) def test_min_max_resources( Est, min_resources, max_resources, expected_n_iterations, expected_n_possible_iterations, expected_n_resources): # Test the min_resources and max_resources parameters, and how they affect # the number of resources used at each iteration n_samples = 1000 X, y = make_classification(n_samples=n_samples, random_state=0) param_grid = {'a': [1, 2], 'b': [1, 2, 3]} base_estimator = FastClassifier() sh = Est(base_estimator, param_grid, factor=3, min_resources=min_resources, max_resources=max_resources) if Est is HalvingRandomSearchCV: sh.set_params(n_candidates=6) # same number as with the grid sh.fit(X, y) expected_n_required_iterations = 2 # given 6 combinations and factor = 3 assert sh.n_iterations_ == expected_n_iterations assert sh.n_required_iterations_ == expected_n_required_iterations assert sh.n_possible_iterations_ == expected_n_possible_iterations assert sh.n_resources_ == expected_n_resources if min_resources == 'exhaust': assert (sh.n_possible_iterations_ == sh.n_iterations_ == len(sh.n_resources_)) @pytest.mark.parametrize('Est', (HalvingRandomSearchCV, HalvingGridSearchCV)) @pytest.mark.parametrize( 'max_resources, n_iterations, n_possible_iterations', [ ('auto', 5, 9), # all resources are used (1024, 5, 9), (700, 5, 8), (512, 5, 8), (511, 5, 7), (32, 4, 4), (31, 3, 3), (16, 3, 3), (4, 1, 1), # max_resources == min_resources, only one iteration is # possible ]) def test_n_iterations(Est, max_resources, n_iterations, n_possible_iterations): # test the number of actual iterations that were run depending on # max_resources n_samples = 1024 X, y = make_classification(n_samples=n_samples, random_state=1) param_grid = {'a': [1, 2], 'b': list(range(10))} base_estimator = FastClassifier() factor = 2 sh = Est(base_estimator, param_grid, cv=2, factor=factor, max_resources=max_resources, min_resources=4) if Est is HalvingRandomSearchCV: sh.set_params(n_candidates=20) # same as for HalvingGridSearchCV sh.fit(X, y) assert sh.n_required_iterations_ == 5 assert sh.n_iterations_ == n_iterations assert sh.n_possible_iterations_ == n_possible_iterations @pytest.mark.parametrize('Est', (HalvingRandomSearchCV, HalvingGridSearchCV)) def test_resource_parameter(Est): # Test the resource parameter n_samples = 1000 X, y = make_classification(n_samples=n_samples, random_state=0) param_grid = {'a': [1, 2], 'b': list(range(10))} base_estimator = FastClassifier() sh = Est(base_estimator, param_grid, cv=2, resource='c', max_resources=10, factor=3) sh.fit(X, y) assert set(sh.n_resources_) == set([1, 3, 9]) for r_i, params, param_c in zip(sh.cv_results_['n_resources'], sh.cv_results_['params'], sh.cv_results_['param_c']): assert r_i == params['c'] == param_c with pytest.raises( ValueError, match='Cannot use resource=1234 which is not supported '): sh = HalvingGridSearchCV(base_estimator, param_grid, cv=2, resource='1234', max_resources=10) sh.fit(X, y) with pytest.raises( ValueError, match='Cannot use parameter c as the resource since it is part ' 'of the searched parameters.'): param_grid = {'a': [1, 2], 'b': [1, 2], 'c': [1, 3]} sh = HalvingGridSearchCV(base_estimator, param_grid, cv=2, resource='c', max_resources=10) sh.fit(X, y) @pytest.mark.parametrize( 'max_resources, n_candidates, expected_n_candidates', [ (512, 'exhaust', 128), # generate exactly as much as needed (32, 'exhaust', 8), (32, 8, 8), (32, 7, 7), # ask for less than what we could (32, 9, 9), # ask for more than 'reasonable' ]) def test_random_search(max_resources, n_candidates, expected_n_candidates): # Test random search and make sure the number of generated candidates is # as expected n_samples = 1024 X, y = make_classification(n_samples=n_samples, random_state=0) param_grid = {'a': norm, 'b': norm} base_estimator = FastClassifier() sh = HalvingRandomSearchCV(base_estimator, param_grid, n_candidates=n_candidates, cv=2, max_resources=max_resources, factor=2, min_resources=4) sh.fit(X, y) assert sh.n_candidates_[0] == expected_n_candidates if n_candidates == 'exhaust': # Make sure 'exhaust' makes the last iteration use as much resources as # we can assert sh.n_resources_[-1] == max_resources @pytest.mark.parametrize('param_distributions, expected_n_candidates', [ ({'a': [1, 2]}, 2), # all lists, sample less than n_candidates ({'a': randint(1, 3)}, 10), # not all list, respect n_candidates ]) def test_random_search_discrete_distributions(param_distributions, expected_n_candidates): # Make sure random search samples the appropriate number of candidates when # we ask for more than what's possible. How many parameters are sampled # depends whether the distributions are 'all lists' or not (see # ParameterSampler for details). This is somewhat redundant with the checks # in ParameterSampler but interaction bugs were discovered during # developement of SH n_samples = 1024 X, y = make_classification(n_samples=n_samples, random_state=0) base_estimator = FastClassifier() sh = HalvingRandomSearchCV(base_estimator, param_distributions, n_candidates=10) sh.fit(X, y) assert sh.n_candidates_[0] == expected_n_candidates @pytest.mark.parametrize('Est', (HalvingGridSearchCV, HalvingRandomSearchCV)) @pytest.mark.parametrize('params, expected_error_message', [ ({'scoring': {'accuracy', 'accuracy'}}, 'Multimetric scoring is not supported'), ({'resource': 'not_a_parameter'}, 'Cannot use resource=not_a_parameter which is not supported'), ({'resource': 'a', 'max_resources': 100}, 'Cannot use parameter a as the resource since it is part of'), ({'max_resources': 'not_auto'}, 'max_resources must be either'), ({'max_resources': 100.5}, 'max_resources must be either'), ({'max_resources': -10}, 'max_resources must be either'), ({'min_resources': 'bad str'}, 'min_resources must be either'), ({'min_resources': 0.5}, 'min_resources must be either'), ({'min_resources': -10}, 'min_resources must be either'), ({'max_resources': 'auto', 'resource': 'b'}, "max_resources can only be 'auto' if resource='n_samples'"), ({'min_resources': 15, 'max_resources': 14}, "min_resources_=15 is greater than max_resources_=14"), ({'cv': KFold(shuffle=True)}, "must yield consistent folds"), ({'cv': ShuffleSplit()}, "must yield consistent folds"), ]) def test_input_errors(Est, params, expected_error_message): base_estimator = FastClassifier() param_grid = {'a': [1]} X, y = make_classification(100) sh = Est(base_estimator, param_grid, **params) with pytest.raises(ValueError, match=expected_error_message): sh.fit(X, y) @pytest.mark.parametrize('params, expected_error_message', [ ({'n_candidates': 'exhaust', 'min_resources': 'exhaust'}, "cannot be both set to 'exhaust'"), ({'n_candidates': 'bad'}, "either 'exhaust' or a positive integer"), ({'n_candidates': 0}, "either 'exhaust' or a positive integer"), ]) def test_input_errors_randomized(params, expected_error_message): # tests specific to HalvingRandomSearchCV base_estimator = FastClassifier() param_grid = {'a': [1]} X, y = make_classification(100) sh = HalvingRandomSearchCV(base_estimator, param_grid, **params) with pytest.raises(ValueError, match=expected_error_message): sh.fit(X, y) @pytest.mark.parametrize( 'fraction, subsample_test, expected_train_size, expected_test_size', [ (.5, True, 40, 10), (.5, False, 40, 20), (.2, True, 16, 4), (.2, False, 16, 20)]) def test_subsample_splitter_shapes(fraction, subsample_test, expected_train_size, expected_test_size): # Make sure splits returned by SubsampleMetaSplitter are of appropriate # size n_samples = 100 X, y = make_classification(n_samples) cv = _SubsampleMetaSplitter(base_cv=KFold(5), fraction=fraction, subsample_test=subsample_test, random_state=None) for train, test in cv.split(X, y): assert train.shape[0] == expected_train_size assert test.shape[0] == expected_test_size if subsample_test: assert train.shape[0] + test.shape[0] == int(n_samples * fraction) else: assert test.shape[0] == n_samples // cv.base_cv.get_n_splits() @pytest.mark.parametrize('subsample_test', (True, False)) def test_subsample_splitter_determinism(subsample_test): # Make sure _SubsampleMetaSplitter is consistent across calls to split(): # - we're OK having training sets differ (they're always sampled with a # different fraction anyway) # - when we don't subsample the test set, we want it to be always the same. # This check is the most important. This is ensured by the determinism # of the base_cv. # Note: we could force both train and test splits to be always the same if # we drew an int seed in _SubsampleMetaSplitter.__init__ n_samples = 100 X, y = make_classification(n_samples) cv = _SubsampleMetaSplitter(base_cv=KFold(5), fraction=.5, subsample_test=subsample_test, random_state=None) folds_a = list(cv.split(X, y, groups=None)) folds_b = list(cv.split(X, y, groups=None)) for (train_a, test_a), (train_b, test_b) in zip(folds_a, folds_b): assert not np.all(train_a == train_b) if subsample_test: assert not np.all(test_a == test_b) else: assert np.all(test_a == test_b) assert np.all(X[test_a] == X[test_b]) @pytest.mark.parametrize('k, itr, expected', [ (1, 0, ['c']), (2, 0, ['a', 'c']), (4, 0, ['d', 'b', 'a', 'c']), (10, 0, ['d', 'b', 'a', 'c']), (1, 1, ['e']), (2, 1, ['f', 'e']), (10, 1, ['f', 'e']), (1, 2, ['i']), (10, 2, ['g', 'h', 'i']), ]) def test_top_k(k, itr, expected): results = { # this isn't a 'real world' result dict 'iter': [0, 0, 0, 0, 1, 1, 2, 2, 2], 'mean_test_score': [4, 3, 5, 1, 11, 10, 5, 6, 9], 'params': ['a', 'b', 'c', 'd', 'e', 'f', 'g', 'h', 'i'], } got = _top_k(results, k=k, itr=itr) assert np.all(got == expected) def test_refit_callable(): results = { # this isn't a 'real world' result dict 'iter': np.array([0, 0, 0, 0, 1, 1, 2, 2, 2]), 'mean_test_score': np.array([4, 3, 5, 1, 11, 10, 5, 6, 9]), 'params': np.array(['a', 'b', 'c', 'd', 'e', 'f', 'g', 'h', 'i']), } assert _refit_callable(results) == 8 # index of 'i' @pytest.mark.parametrize('Est', (HalvingRandomSearchCV, HalvingGridSearchCV)) def test_cv_results(Est): # test that the cv_results_ matches correctly the logic of the # tournament: in particular that the candidates continued in each # successive iteration are those that were best in the previous iteration pd = pytest.importorskip('pandas') rng = np.random.RandomState(0) n_samples = 1000 X, y = make_classification(n_samples=n_samples, random_state=0) param_grid = {'a': ('l1', 'l2'), 'b': list(range(30))} base_estimator = FastClassifier() # generate random scores: we want to avoid ties, which would otherwise # mess with the ordering and make testing harder def scorer(est, X, y): return rng.rand() sh = Est(base_estimator, param_grid, factor=2, scoring=scorer) if Est is HalvingRandomSearchCV: # same number of candidates as with the grid sh.set_params(n_candidates=2 * 30, min_resources='exhaust') sh.fit(X, y) # non-regression check for # https://github.com/scikit-learn/scikit-learn/issues/19203 assert isinstance(sh.cv_results_['iter'], np.ndarray) assert isinstance(sh.cv_results_['n_resources'], np.ndarray) cv_results_df = pd.DataFrame(sh.cv_results_) # just make sure we don't have ties assert len(cv_results_df['mean_test_score'].unique()) == len(cv_results_df) cv_results_df['params_str'] = cv_results_df['params'].apply(str) table = cv_results_df.pivot(index='params_str', columns='iter', values='mean_test_score') # table looks like something like this: # iter 0 1 2 3 4 5 # params_str # {'a': 'l2', 'b': 23} 0.75 NaN NaN NaN NaN NaN # {'a': 'l1', 'b': 30} 0.90 0.875 NaN NaN NaN NaN # {'a': 'l1', 'b': 0} 0.75 NaN NaN NaN NaN NaN # {'a': 'l2', 'b': 3} 0.85 0.925 0.9125 0.90625 NaN NaN # {'a': 'l1', 'b': 5} 0.80 NaN NaN NaN NaN NaN # ... # where a NaN indicates that the candidate wasn't evaluated at a given # iteration, because it wasn't part of the top-K at some previous # iteration. We here make sure that candidates that aren't in the top-k at # any given iteration are indeed not evaluated at the subsequent # iterations. nan_mask = pd.isna(table) n_iter = sh.n_iterations_ for it in range(n_iter - 1): already_discarded_mask = nan_mask[it] # make sure that if a candidate is already discarded, we don't evaluate # it later assert (already_discarded_mask & nan_mask[it + 1] == already_discarded_mask).all() # make sure that the number of discarded candidate is correct discarded_now_mask = ~already_discarded_mask & nan_mask[it + 1] kept_mask = ~already_discarded_mask & ~discarded_now_mask assert kept_mask.sum() == sh.n_candidates_[it + 1] # make sure that all discarded candidates have a lower score than the # kept candidates discarded_max_score = table[it].where(discarded_now_mask).max() kept_min_score = table[it].where(kept_mask).min() assert discarded_max_score < kept_min_score # We now make sure that the best candidate is chosen only from the last # iteration. # We also make sure this is true even if there were higher scores in # earlier rounds (this isn't generally the case, but worth ensuring it's # possible). last_iter = cv_results_df['iter'].max() idx_best_last_iter = ( cv_results_df[cv_results_df['iter'] == last_iter] ['mean_test_score'].idxmax() ) idx_best_all_iters = cv_results_df['mean_test_score'].idxmax() assert sh.best_params_ == cv_results_df.iloc[idx_best_last_iter]['params'] assert (cv_results_df.iloc[idx_best_last_iter]['mean_test_score'] < cv_results_df.iloc[idx_best_all_iters]['mean_test_score']) assert (cv_results_df.iloc[idx_best_last_iter]['params'] != cv_results_df.iloc[idx_best_all_iters]['params']) @pytest.mark.parametrize('Est', (HalvingGridSearchCV, HalvingRandomSearchCV)) def test_base_estimator_inputs(Est): # make sure that the base estimators are passed the correct parameters and # number of samples at each iteration. pd = pytest.importorskip('pandas') passed_n_samples_fit = [] passed_n_samples_predict = [] passed_params = [] class FastClassifierBookKeeping(FastClassifier): def fit(self, X, y): passed_n_samples_fit.append(X.shape[0]) return super().fit(X, y) def predict(self, X): passed_n_samples_predict.append(X.shape[0]) return super().predict(X) def set_params(self, **params): passed_params.append(params) return super().set_params(**params) n_samples = 1024 n_splits = 2 X, y = make_classification(n_samples=n_samples, random_state=0) param_grid = {'a': ('l1', 'l2'), 'b': list(range(30))} base_estimator = FastClassifierBookKeeping() sh = Est(base_estimator, param_grid, factor=2, cv=n_splits, return_train_score=False, refit=False) if Est is HalvingRandomSearchCV: # same number of candidates as with the grid sh.set_params(n_candidates=2 * 30, min_resources='exhaust') sh.fit(X, y) assert len(passed_n_samples_fit) == len(passed_n_samples_predict) passed_n_samples = [x + y for (x, y) in zip(passed_n_samples_fit, passed_n_samples_predict)] # Lists are of length n_splits * n_iter * n_candidates_at_i. # Each chunk of size n_splits corresponds to the n_splits folds for the # same candidate at the same iteration, so they contain equal values. We # subsample such that the lists are of length n_iter * n_candidates_at_it passed_n_samples = passed_n_samples[::n_splits] passed_params = passed_params[::n_splits] cv_results_df = pd.DataFrame(sh.cv_results_) assert len(passed_params) == len(passed_n_samples) == len(cv_results_df) uniques, counts = np.unique(passed_n_samples, return_counts=True) assert (sh.n_resources_ == uniques).all() assert (sh.n_candidates_ == counts).all() assert (cv_results_df['params'] == passed_params).all() assert (cv_results_df['n_resources'] == passed_n_samples).all() @pytest.mark.parametrize('Est', (HalvingGridSearchCV, HalvingRandomSearchCV)) def test_groups_support(Est): # Check if ValueError (when groups is None) propagates to # HalvingGridSearchCV and HalvingRandomSearchCV # And also check if groups is correctly passed to the cv object rng = np.random.RandomState(0) X, y = make_classification(n_samples=50, n_classes=2, random_state=0) groups = rng.randint(0, 3, 50) clf = LinearSVC(random_state=0) grid = {'C': [1]} group_cvs = [LeaveOneGroupOut(), LeavePGroupsOut(2), GroupKFold(n_splits=3), GroupShuffleSplit(random_state=0)] error_msg = "The 'groups' parameter should not be None." for cv in group_cvs: gs = Est(clf, grid, cv=cv) with pytest.raises(ValueError, match=error_msg): gs.fit(X, y) gs.fit(X, y, groups=groups) non_group_cvs = [StratifiedKFold(), StratifiedShuffleSplit(random_state=0)] for cv in non_group_cvs: gs = Est(clf, grid, cv=cv) # Should not raise an error gs.fit(X, y)