Deprecate LabelEncoder in XGBClassifier; Enable cuDF/cuPy inputs in X…

…GBClassifier (#6269)

* Deprecate LabelEncoder in XGBClassifier; skip LabelEncoder for cuDF/cuPy inputs

* Add unit tests for cuDF and cuPy inputs with XGBClassifier

* Fix lint

* Clarify warning

* Move use_label_encoder option to XGBClassifier constructor

* Add a test for cudf.Series

* Add use_label_encoder to XGBRFClassifier doc

* Address reviewer feedback

python-package/xgboost/sklearn.py

@@ -7,6 +7,7 @@
 import numpy as np
 from .core import Booster, DMatrix, XGBoostError
 from .training import train
+from .data import _is_cudf_df, _is_cudf_ser, _is_cupy_array
 
 # Do not use class names on scikit-learn directly.  Re-define the classes on
 # .compat to guarantee the behavior without scikit-learn
@@ -345,7 +346,7 @@ def get_xgb_params(self):
         params = self.get_params()
         # Parameters that should not go into native learner.
         wrapper_specific = {
-            'importance_type', 'kwargs', 'missing', 'n_estimators'}
+            'importance_type', 'kwargs', 'missing', 'n_estimators', 'use_label_encoder'}
         filtered = dict()
         for k, v in params.items():
             if k not in wrapper_specific:
@@ -430,6 +431,9 @@ def load_model(self, fname):
             if k == 'classes_':
                 self.classes_ = np.array(v)
                 continue
+            if k == 'use_label_encoder':
+                self.use_label_encoder = bool(v)
+                continue
             if k == 'type' and type(self).__name__ != v:
                 msg = 'Current model type: {}, '.format(type(self).__name__) + \
                       'type of model in file: {}'.format(v)
@@ -763,21 +767,53 @@ def intercept_(self):
     ['model', 'objective'], extra_parameters='''
     n_estimators : int
         Number of boosting rounds.
+    use_label_encoder : bool
+        (Deprecated) Use the label encoder from scikit-learn to encode the labels. For new code,
+        we recommend that you set this parameter to False.
 ''')
 class XGBClassifier(XGBModel, XGBClassifierBase):
     # pylint: disable=missing-docstring,invalid-name,too-many-instance-attributes
-    def __init__(self, objective="binary:logistic", **kwargs):
+    def __init__(self, objective="binary:logistic", use_label_encoder=True, **kwargs):
+        self.use_label_encoder = use_label_encoder
         super().__init__(objective=objective, **kwargs)
 
     def fit(self, X, y, sample_weight=None, base_margin=None,
             eval_set=None, eval_metric=None,
             early_stopping_rounds=None, verbose=True, xgb_model=None,
             sample_weight_eval_set=None, feature_weights=None, callbacks=None):
-        # pylint: disable = attribute-defined-outside-init,arguments-differ
+        # pylint: disable = attribute-defined-outside-init,arguments-differ,too-many-statements
+
+        can_use_label_encoder = True
+        label_encoding_check_error = (
+                'The label must consist of integer labels of form 0, 1, 2, ..., [num_class - 1].')
+        label_encoder_deprecation_msg = (
+                'The use of label encoder in XGBClassifier is deprecated and will be ' +
+                'removed in a future release. To remove this warning, do the ' +
+                'following: 1) Pass option use_label_encoder=False when constructing ' +
+                'XGBClassifier object; and 2) Encode your labels (y) as integers ' +
+                'starting with 0, i.e. 0, 1, 2, ..., [num_class - 1].')
 
         evals_result = {}
-        self.classes_ = np.unique(y)
-        self.n_classes_ = len(self.classes_)
+        if _is_cudf_df(y) or _is_cudf_ser(y):
+            import cupy as cp  # pylint: disable=E0401
+            self.classes_ = cp.unique(y.values)
+            self.n_classes_ = len(self.classes_)
+            can_use_label_encoder = False
+            if not cp.array_equal(self.classes_, cp.arange(self.n_classes_)):
+                raise ValueError(label_encoding_check_error)
+        elif _is_cupy_array(y):
+            import cupy as cp  # pylint: disable=E0401
+            self.classes_ = cp.unique(y)
+            self.n_classes_ = len(self.classes_)
+            can_use_label_encoder = False
+            if not cp.array_equal(self.classes_, cp.arange(self.n_classes_)):
+                raise ValueError(label_encoding_check_error)
+        else:
+            self.classes_ = np.unique(y)
+            self.n_classes_ = len(self.classes_)
+            if not self.use_label_encoder and (
+                    not np.array_equal(self.classes_, np.arange(self.n_classes_))):
+                raise ValueError(label_encoding_check_error)
 
         xgb_options = self.get_xgb_params()
 
@@ -801,8 +837,18 @@ def fit(self, X, y, sample_weight=None, base_margin=None,
             else:
                 xgb_options.update({"eval_metric": eval_metric})
 
-        self._le = XGBoostLabelEncoder().fit(y)
-        training_labels = self._le.transform(y)
+        if self.use_label_encoder:
+            if not can_use_label_encoder:
+                raise ValueError('The option use_label_encoder=True is incompatible with inputs ' +
+                                 'of type cuDF or cuPy. Please set use_label_encoder=False when ' +
+                                 'constructing XGBClassifier object. NOTE: ' +
+                                 label_encoder_deprecation_msg)
+            warnings.warn(label_encoder_deprecation_msg, UserWarning)
+            self._le = XGBoostLabelEncoder().fit(y)
+            label_transform = self._le.transform
+        else:
+            label_transform = (lambda x: x)
+        training_labels = label_transform(y)
 
         if eval_set is not None:
             if sample_weight_eval_set is None:
@@ -811,7 +857,7 @@ def fit(self, X, y, sample_weight=None, base_margin=None,
                 assert len(sample_weight_eval_set) == len(eval_set)
             evals = list(
                 DMatrix(eval_set[i][0],
-                        label=self._le.transform(eval_set[i][1]),
+                        label=label_transform(eval_set[i][1]),
                         missing=self.missing, weight=sample_weight_eval_set[i],
                         nthread=self.n_jobs)
                 for i in range(len(eval_set))
@@ -919,9 +965,7 @@ def predict(self, data, output_margin=False, ntree_limit=None,
 
         if hasattr(self, '_le'):
             return self._le.inverse_transform(column_indexes)
-        warnings.warn(
-            'Label encoder is not defined.  Returning class probability.')
-        return class_probs
+        return column_indexes
 
     def predict_proba(self, data, ntree_limit=None, validate_features=False,
                       base_margin=None):
@@ -1012,6 +1056,9 @@ def evals_result(self):
     extra_parameters='''
     n_estimators : int
         Number of trees in random forest to fit.
+    use_label_encoder : bool
+        (Deprecated) Use the label encoder from scikit-learn to encode the labels. For new code,
+        we recommend that you set this parameter to False.
 ''')
 class XGBRFClassifier(XGBClassifier):
     # pylint: disable=missing-docstring
@@ -1020,11 +1067,13 @@ def __init__(self,
                  subsample=0.8,
                  colsample_bynode=0.8,
                  reg_lambda=1e-5,
+                 use_label_encoder=True,
                  **kwargs):
         super().__init__(learning_rate=learning_rate,
                          subsample=subsample,
                          colsample_bynode=colsample_bynode,
                          reg_lambda=reg_lambda,
+                         use_label_encoder=use_label_encoder,
                          **kwargs)
 
     def get_xgb_params(self):

tests/python-gpu/test_from_cudf.py

@@ -172,6 +172,34 @@ def test_cudf_metainfo_device_dmatrix(self):
         _test_cudf_metainfo(xgb.DeviceQuantileDMatrix)
 
 
+@pytest.mark.skipif(**tm.no_cudf())
+@pytest.mark.skipif(**tm.no_cupy())
+@pytest.mark.skipif(**tm.no_sklearn())
+@pytest.mark.skipif(**tm.no_pandas())
+def test_cudf_training_with_sklearn():
+    from cudf import DataFrame as df
+    from cudf import Series as ss
+    import pandas as pd
+    np.random.seed(1)
+    X = pd.DataFrame(np.random.randn(50, 10))
+    y = pd.DataFrame((np.random.randn(50) > 0).astype(np.int8))
+    weights = np.random.random(50) + 1.0
+    cudf_weights = df.from_pandas(pd.DataFrame(weights))
+    base_margin = np.random.random(50)
+    cudf_base_margin = df.from_pandas(pd.DataFrame(base_margin))
+
+    X_cudf = df.from_pandas(X)
+    y_cudf = df.from_pandas(y)
+    y_cudf_series = ss(data=y.iloc[:, 0])
+
+    for y_obj in [y_cudf, y_cudf_series]:
+        clf = xgb.XGBClassifier(gpu_id=0, tree_method='gpu_hist', use_label_encoder=False)
+        clf.fit(X_cudf, y_obj, sample_weight=cudf_weights, base_margin=cudf_base_margin,
+                eval_set=[(X_cudf, y_obj)])
+        pred = clf.predict(X_cudf)
+        assert np.array_equal(np.unique(pred), np.array([0, 1]))
+
+
 class IterForDMatrixTest(xgb.core.DataIter):
     '''A data iterator for XGBoost DMatrix.
 

tests/python-gpu/test_from_cupy.py

@@ -108,6 +108,25 @@ def _test_cupy_metainfo(DMatrixT):
                           dmat_cupy.get_uint_info('group_ptr'))
 
 
+@pytest.mark.skipif(**tm.no_cupy())
+@pytest.mark.skipif(**tm.no_sklearn())
+def test_cupy_training_with_sklearn():
+    import cupy as cp
+    np.random.seed(1)
+    cp.random.seed(1)
+    X = cp.random.randn(50, 10, dtype='float32')
+    y = (cp.random.randn(50, dtype='float32') > 0).astype('int8')
+    weights = np.random.random(50) + 1
+    cupy_weights = cp.array(weights)
+    base_margin = np.random.random(50)
+    cupy_base_margin = cp.array(base_margin)
+
+    clf = xgb.XGBClassifier(gpu_id=0, tree_method='gpu_hist', use_label_encoder=False)
+    clf.fit(X, y, sample_weight=cupy_weights, base_margin=cupy_base_margin, eval_set=[(X, y)])
+    pred = clf.predict(X)
+    assert np.array_equal(np.unique(pred), np.array([0, 1]))
+
+
 class TestFromCupy:
     '''Tests for constructing DMatrix from data structure conforming Apache
 Arrow specification.'''

tests/python/test_with_sklearn.py

@@ -706,19 +706,17 @@ def save_load_model(model_path):
     from sklearn.datasets import load_digits
     from sklearn.model_selection import KFold
 
-    digits = load_digits(2)
+    digits = load_digits(n_class=2)
     y = digits['target']
     X = digits['data']
     kf = KFold(n_splits=2, shuffle=True, random_state=rng)
     for train_index, test_index in kf.split(X, y):
-        xgb_model = xgb.XGBClassifier().fit(X[train_index], y[train_index])
+        xgb_model = xgb.XGBClassifier(use_label_encoder=False).fit(X[train_index], y[train_index])
         xgb_model.save_model(model_path)
-        xgb_model = xgb.XGBClassifier()
+        xgb_model = xgb.XGBClassifier(use_label_encoder=False)
         xgb_model.load_model(model_path)
         assert isinstance(xgb_model.classes_, np.ndarray)
         assert isinstance(xgb_model._Booster, xgb.Booster)
-        assert isinstance(xgb_model._le, XGBoostLabelEncoder)
-        assert isinstance(xgb_model._le.classes_, np.ndarray)
         preds = xgb_model.predict(X[test_index])
         labels = y[test_index]
         err = sum(1 for i in range(len(preds))
@@ -750,7 +748,7 @@ def test_save_load_model():
     from sklearn.datasets import load_digits
     with TemporaryDirectory() as tempdir:
         model_path = os.path.join(tempdir, 'digits.model.json')
-        digits = load_digits(2)
+        digits = load_digits(n_class=2)
         y = digits['target']
         X = digits['data']
         booster = xgb.train({'tree_method': 'hist',
@@ -761,7 +759,7 @@ def test_save_load_model():
         booster.save_model(model_path)
         cls = xgb.XGBClassifier()
         cls.load_model(model_path)
-        predt_1 = cls.predict(X)
+        predt_1 = cls.predict_proba(X)[:, 1]
         assert np.allclose(predt_0, predt_1)
 
         cls = xgb.XGBModel()
@@ -778,10 +776,10 @@ def test_RFECV():
 
     # Regression
     X, y = load_boston(return_X_y=True)
-    bst = xgb.XGBClassifier(booster='gblinear', learning_rate=0.1,
-                            n_estimators=10,
-                            objective='reg:squarederror',
-                            random_state=0, verbosity=0)
+    bst = xgb.XGBRegressor(booster='gblinear', learning_rate=0.1,
+                           n_estimators=10,
+                           objective='reg:squarederror',
+                           random_state=0, verbosity=0)
     rfecv = RFECV(
         estimator=bst, step=1, cv=3, scoring='neg_mean_squared_error')
     rfecv.fit(X, y)
@@ -791,7 +789,7 @@ def test_RFECV():
     bst = xgb.XGBClassifier(booster='gblinear', learning_rate=0.1,
                             n_estimators=10,
                             objective='binary:logistic',
-                            random_state=0, verbosity=0)
+                            random_state=0, verbosity=0, use_label_encoder=False)
     rfecv = RFECV(estimator=bst, step=1, cv=3, scoring='roc_auc')
     rfecv.fit(X, y)
 
@@ -802,7 +800,7 @@ def test_RFECV():
                             n_estimators=10,
                             objective='multi:softprob',
                             random_state=0, reg_alpha=0.001, reg_lambda=0.01,
-                            scale_pos_weight=0.5, verbosity=0)
+                            scale_pos_weight=0.5, verbosity=0, use_label_encoder=False)
     rfecv = RFECV(estimator=bst, step=1, cv=3, scoring='neg_log_loss')
     rfecv.fit(X, y)
 
@@ -811,7 +809,7 @@ def test_RFECV():
     rfecv = RFECV(estimator=reg)
     rfecv.fit(X, y)
 
-    cls = xgb.XGBClassifier()
+    cls = xgb.XGBClassifier(use_label_encoder=False)
     rfecv = RFECV(estimator=cls, step=1, cv=3,
                   scoring='neg_mean_squared_error')
     rfecv.fit(X, y)