[MRG + 2] FIX Be robust to non re-entrant/ non deterministic cv.split calls (scikit-learn#7660)

Author: raghavrv

sklearn/model_selection/_search.py

@@ -550,6 +550,7 @@ def _fit(self, X, y, groups, parameter_iterable):
         base_estimator = clone(self.estimator)
         pre_dispatch = self.pre_dispatch
 
+        cv_iter = list(cv.split(X, y, groups))
         out = Parallel(
             n_jobs=self.n_jobs, verbose=self.verbose,
             pre_dispatch=pre_dispatch
@@ -561,7 +562,7 @@ def _fit(self, X, y, groups, parameter_iterable):
                                   return_times=True, return_parameters=True,
                                   error_score=self.error_score)
           for parameters in parameter_iterable
-          for train, test in cv.split(X, y, groups))
+          for train, test in cv_iter)
 
         # if one choose to see train score, "out" will contain train score info
         if self.return_train_score:

sklearn/model_selection/_split.py

@@ -1477,7 +1477,7 @@ def get_n_splits(self, X=None, y=None, groups=None):
 class _CVIterableWrapper(BaseCrossValidator):
     """Wrapper class for old style cv objects and iterables."""
     def __init__(self, cv):
-        self.cv = cv
+        self.cv = list(cv)
 
     def get_n_splits(self, X=None, y=None, groups=None):
         """Returns the number of splitting iterations in the cross-validator

sklearn/model_selection/_validation.py

@@ -1,4 +1,3 @@
-
 """
 The :mod:`sklearn.model_selection._validation` module includes classes and
 functions to validate the model.
@@ -129,6 +128,7 @@ def cross_val_score(estimator, X, y=None, groups=None, scoring=None, cv=None,
     X, y, groups = indexable(X, y, groups)
 
     cv = check_cv(cv, y, classifier=is_classifier(estimator))
+    cv_iter = list(cv.split(X, y, groups))
     scorer = check_scoring(estimator, scoring=scoring)
     # We clone the estimator to make sure that all the folds are
     # independent, and that it is pickle-able.
@@ -137,7 +137,7 @@ def cross_val_score(estimator, X, y=None, groups=None, scoring=None, cv=None,
     scores = parallel(delayed(_fit_and_score)(clone(estimator), X, y, scorer,
                                               train, test, verbose, None,
                                               fit_params)
-                      for train, test in cv.split(X, y, groups))
+                      for train, test in cv_iter)
     return np.array(scores)[:, 0]
 
 
@@ -385,6 +385,7 @@ def cross_val_predict(estimator, X, y=None, groups=None, cv=None, n_jobs=1,
     X, y, groups = indexable(X, y, groups)
 
     cv = check_cv(cv, y, classifier=is_classifier(estimator))
+    cv_iter = list(cv.split(X, y, groups))
 
     # Ensure the estimator has implemented the passed decision function
     if not callable(getattr(estimator, method)):
@@ -397,7 +398,7 @@ def cross_val_predict(estimator, X, y=None, groups=None, cv=None, n_jobs=1,
                         pre_dispatch=pre_dispatch)
     prediction_blocks = parallel(delayed(_fit_and_predict)(
         clone(estimator), X, y, train, test, verbose, fit_params, method)
-        for train, test in cv.split(X, y, groups))
+        for train, test in cv_iter)
 
     # Concatenate the predictions
     predictions = [pred_block_i for pred_block_i, _ in prediction_blocks]
@@ -751,9 +752,8 @@ def learning_curve(estimator, X, y, groups=None,
     X, y, groups = indexable(X, y, groups)
 
     cv = check_cv(cv, y, classifier=is_classifier(estimator))
-    cv_iter = cv.split(X, y, groups)
     # Make a list since we will be iterating multiple times over the folds
-    cv_iter = list(cv_iter)
+    cv_iter = list(cv.split(X, y, groups))
     scorer = check_scoring(estimator, scoring=scoring)
 
     n_max_training_samples = len(cv_iter[0][0])
@@ -776,9 +776,8 @@ def learning_curve(estimator, X, y, groups=None,
     if exploit_incremental_learning:
         classes = np.unique(y) if is_classifier(estimator) else None
         out = parallel(delayed(_incremental_fit_estimator)(
-            clone(estimator), X, y, classes, train,
-            test, train_sizes_abs, scorer, verbose)
-            for train, test in cv_iter)
+            clone(estimator), X, y, classes, train, test, train_sizes_abs,
+            scorer, verbose) for train, test in cv_iter)
     else:
         train_test_proportions = []
         for train, test in cv_iter:
@@ -962,6 +961,7 @@ def validation_curve(estimator, X, y, param_name, param_range, groups=None,
     X, y, groups = indexable(X, y, groups)
 
     cv = check_cv(cv, y, classifier=is_classifier(estimator))
+    cv_iter = list(cv.split(X, y, groups))
 
     scorer = check_scoring(estimator, scoring=scoring)
 
@@ -970,7 +970,7 @@ def validation_curve(estimator, X, y, param_name, param_range, groups=None,
     out = parallel(delayed(_fit_and_score)(
         estimator, X, y, scorer, train, test, verbose,
         parameters={param_name: v}, fit_params=None, return_train_score=True)
-        for train, test in cv.split(X, y, groups) for v in param_range)
+        for train, test in cv_iter for v in param_range)
 
     out = np.asarray(out)
     n_params = len(param_range)

sklearn/model_selection/tests/common.py

@@ -0,0 +1,23 @@
+"""
+Common utilities for testing model selection.
+"""
+
+import numpy as np
+
+from sklearn.model_selection import KFold
+
+
+class OneTimeSplitter:
+    """A wrapper to make KFold single entry cv iterator"""
+    def __init__(self, n_splits=4, n_samples=99):
+        self.n_splits = n_splits
+        self.n_samples = n_samples
+        self.indices = iter(KFold(n_splits=n_splits).split(np.ones(n_samples)))
+
+    def split(self, X=None, y=None, groups=None):
+        """Split can be called only once"""
+        for index in self.indices:
+            yield index
+
+    def get_n_splits(self, X=None, y=None, groups=None):
+        return self.n_splits

sklearn/model_selection/tests/test_search.py

@@ -60,6 +60,8 @@
 from sklearn.pipeline import Pipeline
 from sklearn.linear_model import SGDClassifier
 
+from sklearn.model_selection.tests.common import OneTimeSplitter
+
 
 # Neither of the following two estimators inherit from BaseEstimator,
 # to test hyperparameter search on user-defined classifiers.
@@ -1154,3 +1156,58 @@ def test_search_train_scores_set_to_false():
     gs = GridSearchCV(clf, param_grid={'C': [0.1, 0.2]},
                       return_train_score=False)
     gs.fit(X, y)
+
+
+def test_grid_search_cv_splits_consistency():
+    # Check if a one time iterable is accepted as a cv parameter.
+    n_samples = 100
+    n_splits = 5
+    X, y = make_classification(n_samples=n_samples, random_state=0)
+
+    gs = GridSearchCV(LinearSVC(random_state=0),
+                      param_grid={'C': [0.1, 0.2, 0.3]},
+                      cv=OneTimeSplitter(n_splits=n_splits,
+                                         n_samples=n_samples))
+    gs.fit(X, y)
+
+    gs2 = GridSearchCV(LinearSVC(random_state=0),
+                       param_grid={'C': [0.1, 0.2, 0.3]},
+                       cv=KFold(n_splits=n_splits))
+    gs2.fit(X, y)
+
+    def _pop_time_keys(cv_results):
+        for key in ('mean_fit_time', 'std_fit_time',
+                    'mean_score_time', 'std_score_time'):
+            cv_results.pop(key)
+        return cv_results
+
+    # OneTimeSplitter is a non-re-entrant cv where split can be called only
+    # once if ``cv.split`` is called once per param setting in GridSearchCV.fit
+    # the 2nd and 3rd parameter will not be evaluated as no train/test indices
+    # will be generated for the 2nd and subsequent cv.split calls.
+    # This is a check to make sure cv.split is not called once per param
+    # setting.
+    np.testing.assert_equal(_pop_time_keys(gs.cv_results_),
+                            _pop_time_keys(gs2.cv_results_))
+
+    # Check consistency of folds across the parameters
+    gs = GridSearchCV(LinearSVC(random_state=0),
+                      param_grid={'C': [0.1, 0.1, 0.2, 0.2]},
+                      cv=KFold(n_splits=n_splits, shuffle=True))
+    gs.fit(X, y)
+
+    # As the first two param settings (C=0.1) and the next two param
+    # settings (C=0.2) are same, the test and train scores must also be
+    # same as long as the same train/test indices are generated for all
+    # the cv splits, for both param setting
+    for score_type in ('train', 'test'):
+        per_param_scores = {}
+        for param_i in range(4):
+            per_param_scores[param_i] = list(
+                gs.cv_results_['split%d_%s_score' % (s, score_type)][param_i]
+                for s in range(5))
+
+        assert_array_almost_equal(per_param_scores[0],
+                                  per_param_scores[1])
+        assert_array_almost_equal(per_param_scores[2],
+                                  per_param_scores[3])

sklearn/model_selection/tests/test_split.py

@@ -59,73 +59,9 @@
 
 X = np.ones(10)
 y = np.arange(10) // 2
-P_sparse = coo_matrix(np.eye(5))
 digits = load_digits()
 
 
-class MockClassifier(object):
-    """Dummy classifier to test the cross-validation"""
-
-    def __init__(self, a=0, allow_nd=False):
-        self.a = a
-        self.allow_nd = allow_nd
-
-    def fit(self, X, Y=None, sample_weight=None, class_prior=None,
-            sparse_sample_weight=None, sparse_param=None, dummy_int=None,
-            dummy_str=None, dummy_obj=None, callback=None):
-        """The dummy arguments are to test that this fit function can
-        accept non-array arguments through cross-validation, such as:
-            - int
-            - str (this is actually array-like)
-            - object
-            - function
-        """
-        self.dummy_int = dummy_int
-        self.dummy_str = dummy_str
-        self.dummy_obj = dummy_obj
-        if callback is not None:
-            callback(self)
-
-        if self.allow_nd:
-            X = X.reshape(len(X), -1)
-        if X.ndim >= 3 and not self.allow_nd:
-            raise ValueError('X cannot be d')
-        if sample_weight is not None:
-            assert_true(sample_weight.shape[0] == X.shape[0],
-                        'MockClassifier extra fit_param sample_weight.shape[0]'
-                        ' is {0}, should be {1}'.format(sample_weight.shape[0],
-                                                        X.shape[0]))
-        if class_prior is not None:
-            assert_true(class_prior.shape[0] == len(np.unique(y)),
-                        'MockClassifier extra fit_param class_prior.shape[0]'
-                        ' is {0}, should be {1}'.format(class_prior.shape[0],
-                                                        len(np.unique(y))))
-        if sparse_sample_weight is not None:
-            fmt = ('MockClassifier extra fit_param sparse_sample_weight'
-                   '.shape[0] is {0}, should be {1}')
-            assert_true(sparse_sample_weight.shape[0] == X.shape[0],
-                        fmt.format(sparse_sample_weight.shape[0], X.shape[0]))
-        if sparse_param is not None:
-            fmt = ('MockClassifier extra fit_param sparse_param.shape '
-                   'is ({0}, {1}), should be ({2}, {3})')
-            assert_true(sparse_param.shape == P_sparse.shape,
-                        fmt.format(sparse_param.shape[0],
-                                   sparse_param.shape[1],
-                                   P_sparse.shape[0], P_sparse.shape[1]))
-        return self
-
-    def predict(self, T):
-        if self.allow_nd:
-            T = T.reshape(len(T), -1)
-        return T[:, 0]
-
-    def score(self, X=None, Y=None):
-        return 1. / (1 + np.abs(self.a))
-
-    def get_params(self, deep=False):
-        return {'a': self.a, 'allow_nd': self.allow_nd}
-
-
 @ignore_warnings
 def test_cross_validator_with_default_params():
     n_samples = 4
@@ -933,6 +869,22 @@ def test_cv_iterable_wrapper():
     # Check if get_n_splits works correctly
     assert_equal(len(cv), wrapped_old_skf.get_n_splits())
 
+    kf_iter = KFold(n_splits=5).split(X, y)
+    kf_iter_wrapped = check_cv(kf_iter)
+    # Since the wrapped iterable is enlisted and stored,
+    # split can be called any number of times to produce
+    # consistent results.
+    assert_array_equal(list(kf_iter_wrapped.split(X, y)),
+                       list(kf_iter_wrapped.split(X, y)))
+    # If the splits are randomized, successive calls to split yields different
+    # results
+    kf_randomized_iter = KFold(n_splits=5, shuffle=True).split(X, y)
+    kf_randomized_iter_wrapped = check_cv(kf_randomized_iter)
+    assert_array_equal(list(kf_randomized_iter_wrapped.split(X, y)),
+                       list(kf_randomized_iter_wrapped.split(X, y)))
+    assert_true(np.any(np.array(list(kf_iter_wrapped.split(X, y))) !=
+                       np.array(list(kf_randomized_iter_wrapped.split(X, y)))))
+
 
 def test_group_kfold():
     rng = np.random.RandomState(0)