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  1. openflamingo/lib/python3.10/site-packages/sklearn/ensemble/_base.py +304 -0
  2. openflamingo/lib/python3.10/site-packages/sklearn/ensemble/_gradient_boosting.pyx +262 -0
  3. openflamingo/lib/python3.10/site-packages/sklearn/ensemble/_hist_gradient_boosting/__init__.py +8 -0
  4. openflamingo/lib/python3.10/site-packages/sklearn/ensemble/_hist_gradient_boosting/__pycache__/utils.cpython-310.pyc +0 -0
  5. openflamingo/lib/python3.10/site-packages/sklearn/ensemble/_hist_gradient_boosting/_binning.pyx +84 -0
  6. openflamingo/lib/python3.10/site-packages/sklearn/ensemble/_hist_gradient_boosting/_bitset.pxd +20 -0
  7. openflamingo/lib/python3.10/site-packages/sklearn/ensemble/_hist_gradient_boosting/_predictor.pyx +255 -0
  8. openflamingo/lib/python3.10/site-packages/sklearn/ensemble/_hist_gradient_boosting/common.pxd +43 -0
  9. openflamingo/lib/python3.10/site-packages/sklearn/ensemble/_hist_gradient_boosting/common.pyx +44 -0
  10. openflamingo/lib/python3.10/site-packages/sklearn/ensemble/_hist_gradient_boosting/grower.py +807 -0
  11. openflamingo/lib/python3.10/site-packages/sklearn/ensemble/_hist_gradient_boosting/predictor.py +146 -0
  12. openflamingo/lib/python3.10/site-packages/sklearn/ensemble/_hist_gradient_boosting/splitting.pyx +1191 -0
  13. openflamingo/lib/python3.10/site-packages/sklearn/ensemble/_hist_gradient_boosting/tests/__pycache__/__init__.cpython-310.pyc +0 -0
  14. openflamingo/lib/python3.10/site-packages/sklearn/ensemble/_hist_gradient_boosting/tests/__pycache__/test_binning.cpython-310.pyc +0 -0
  15. openflamingo/lib/python3.10/site-packages/sklearn/ensemble/_hist_gradient_boosting/tests/__pycache__/test_bitset.cpython-310.pyc +0 -0
  16. openflamingo/lib/python3.10/site-packages/sklearn/ensemble/_hist_gradient_boosting/tests/__pycache__/test_grower.cpython-310.pyc +0 -0
  17. openflamingo/lib/python3.10/site-packages/sklearn/ensemble/_hist_gradient_boosting/tests/__pycache__/test_histogram.cpython-310.pyc +0 -0
  18. openflamingo/lib/python3.10/site-packages/sklearn/ensemble/_hist_gradient_boosting/tests/__pycache__/test_monotonic_constraints.cpython-310.pyc +0 -0
  19. openflamingo/lib/python3.10/site-packages/sklearn/ensemble/_hist_gradient_boosting/tests/__pycache__/test_predictor.cpython-310.pyc +0 -0
  20. openflamingo/lib/python3.10/site-packages/sklearn/ensemble/_hist_gradient_boosting/tests/__pycache__/test_splitting.cpython-310.pyc +0 -0
  21. openflamingo/lib/python3.10/site-packages/sklearn/ensemble/_hist_gradient_boosting/tests/__pycache__/test_warm_start.cpython-310.pyc +0 -0
  22. openflamingo/lib/python3.10/site-packages/sklearn/ensemble/_hist_gradient_boosting/tests/test_monotonic_constraints.py +446 -0
  23. openflamingo/lib/python3.10/site-packages/sklearn/ensemble/_hist_gradient_boosting/tests/test_predictor.py +187 -0
  24. openflamingo/lib/python3.10/site-packages/sklearn/ensemble/_iforest.py +673 -0
  25. openflamingo/lib/python3.10/site-packages/sklearn/ensemble/_weight_boosting.py +1173 -0
  26. openflamingo/lib/python3.10/site-packages/sklearn/ensemble/meson.build +10 -0
  27. openflamingo/lib/python3.10/site-packages/sklearn/ensemble/tests/__init__.py +0 -0
  28. openflamingo/lib/python3.10/site-packages/sklearn/ensemble/tests/__pycache__/__init__.cpython-310.pyc +0 -0
  29. openflamingo/lib/python3.10/site-packages/sklearn/ensemble/tests/__pycache__/test_bagging.cpython-310.pyc +0 -0
  30. openflamingo/lib/python3.10/site-packages/sklearn/ensemble/tests/__pycache__/test_base.cpython-310.pyc +0 -0
  31. openflamingo/lib/python3.10/site-packages/sklearn/ensemble/tests/__pycache__/test_common.cpython-310.pyc +0 -0
  32. openflamingo/lib/python3.10/site-packages/sklearn/ensemble/tests/__pycache__/test_forest.cpython-310.pyc +0 -0
  33. openflamingo/lib/python3.10/site-packages/sklearn/ensemble/tests/__pycache__/test_gradient_boosting.cpython-310.pyc +0 -0
  34. openflamingo/lib/python3.10/site-packages/sklearn/ensemble/tests/__pycache__/test_iforest.cpython-310.pyc +0 -0
  35. openflamingo/lib/python3.10/site-packages/sklearn/ensemble/tests/__pycache__/test_stacking.cpython-310.pyc +0 -0
  36. openflamingo/lib/python3.10/site-packages/sklearn/ensemble/tests/__pycache__/test_voting.cpython-310.pyc +0 -0
  37. openflamingo/lib/python3.10/site-packages/sklearn/ensemble/tests/__pycache__/test_weight_boosting.cpython-310.pyc +0 -0
  38. openflamingo/lib/python3.10/site-packages/sklearn/ensemble/tests/test_bagging.py +977 -0
  39. openflamingo/lib/python3.10/site-packages/sklearn/ensemble/tests/test_common.py +262 -0
  40. openflamingo/lib/python3.10/site-packages/sklearn/ensemble/tests/test_forest.py +1864 -0
  41. openflamingo/lib/python3.10/site-packages/sklearn/ensemble/tests/test_gradient_boosting.py +1711 -0
  42. openflamingo/lib/python3.10/site-packages/sklearn/ensemble/tests/test_iforest.py +393 -0
  43. openflamingo/lib/python3.10/site-packages/sklearn/ensemble/tests/test_stacking.py +1019 -0
  44. openflamingo/lib/python3.10/site-packages/sklearn/ensemble/tests/test_voting.py +787 -0
  45. openflamingo/lib/python3.10/site-packages/sklearn/ensemble/tests/test_weight_boosting.py +639 -0
  46. phi4/lib/python3.10/site-packages/torch/include/ATen/ops/_cholesky_solve_helper_cpu_dispatch.h +23 -0
  47. phi4/lib/python3.10/site-packages/torch/include/ATen/ops/_index_put_impl_cpu_dispatch.h +23 -0
  48. phi4/lib/python3.10/site-packages/torch/include/ATen/ops/_jagged_to_padded_dense_forward.h +47 -0
  49. phi4/lib/python3.10/site-packages/torch/include/ATen/ops/_linalg_eigvals_cuda_dispatch.h +23 -0
  50. phi4/lib/python3.10/site-packages/torch/include/ATen/ops/_scaled_dot_product_cudnn_attention_native.h +21 -0
openflamingo/lib/python3.10/site-packages/sklearn/ensemble/_base.py ADDED
@@ -0,0 +1,304 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ """Base class for ensemble-based estimators."""
2
+
3
+ # Authors: The scikit-learn developers
4
+ # SPDX-License-Identifier: BSD-3-Clause
5
+
6
+ from abc import ABCMeta, abstractmethod
7
+
8
+ import numpy as np
9
+ from joblib import effective_n_jobs
10
+
11
+ from ..base import BaseEstimator, MetaEstimatorMixin, clone, is_classifier, is_regressor
12
+ from ..utils import Bunch, check_random_state
13
+ from ..utils._tags import get_tags
14
+ from ..utils._user_interface import _print_elapsed_time
15
+ from ..utils.metadata_routing import _routing_enabled
16
+ from ..utils.metaestimators import _BaseComposition
17
+
18
+
19
+ def _fit_single_estimator(
20
+ estimator, X, y, fit_params, message_clsname=None, message=None
21
+ ):
22
+ """Private function used to fit an estimator within a job."""
23
+ # TODO(SLEP6): remove if-condition for unrouted sample_weight when metadata
24
+ # routing can't be disabled.
25
+ if not _routing_enabled() and "sample_weight" in fit_params:
26
+ try:
27
+ with _print_elapsed_time(message_clsname, message):
28
+ estimator.fit(X, y, sample_weight=fit_params["sample_weight"])
29
+ except TypeError as exc:
30
+ if "unexpected keyword argument 'sample_weight'" in str(exc):
31
+ raise TypeError(
32
+ "Underlying estimator {} does not support sample weights.".format(
33
+ estimator.__class__.__name__
34
+ )
35
+ ) from exc
36
+ raise
37
+ else:
38
+ with _print_elapsed_time(message_clsname, message):
39
+ estimator.fit(X, y, **fit_params)
40
+ return estimator
41
+
42
+
43
+ def _set_random_states(estimator, random_state=None):
44
+ """Set fixed random_state parameters for an estimator.
45
+
46
+ Finds all parameters ending ``random_state`` and sets them to integers
47
+ derived from ``random_state``.
48
+
49
+ Parameters
50
+ ----------
51
+ estimator : estimator supporting get/set_params
52
+ Estimator with potential randomness managed by random_state
53
+ parameters.
54
+
55
+ random_state : int, RandomState instance or None, default=None
56
+ Pseudo-random number generator to control the generation of the random
57
+ integers. Pass an int for reproducible output across multiple function
58
+ calls.
59
+ See :term:`Glossary <random_state>`.
60
+
61
+ Notes
62
+ -----
63
+ This does not necessarily set *all* ``random_state`` attributes that
64
+ control an estimator's randomness, only those accessible through
65
+ ``estimator.get_params()``. ``random_state``s not controlled include
66
+ those belonging to:
67
+
68
+ * cross-validation splitters
69
+ * ``scipy.stats`` rvs
70
+ """
71
+ random_state = check_random_state(random_state)
72
+ to_set = {}
73
+ for key in sorted(estimator.get_params(deep=True)):
74
+ if key == "random_state" or key.endswith("__random_state"):
75
+ to_set[key] = random_state.randint(np.iinfo(np.int32).max)
76
+
77
+ if to_set:
78
+ estimator.set_params(**to_set)
79
+
80
+
81
+ class BaseEnsemble(MetaEstimatorMixin, BaseEstimator, metaclass=ABCMeta):
82
+ """Base class for all ensemble classes.
83
+
84
+ Warning: This class should not be used directly. Use derived classes
85
+ instead.
86
+
87
+ Parameters
88
+ ----------
89
+ estimator : object
90
+ The base estimator from which the ensemble is built.
91
+
92
+ n_estimators : int, default=10
93
+ The number of estimators in the ensemble.
94
+
95
+ estimator_params : list of str, default=tuple()
96
+ The list of attributes to use as parameters when instantiating a
97
+ new base estimator. If none are given, default parameters are used.
98
+
99
+ Attributes
100
+ ----------
101
+ estimator_ : estimator
102
+ The base estimator from which the ensemble is grown.
103
+
104
+ estimators_ : list of estimators
105
+ The collection of fitted base estimators.
106
+ """
107
+
108
+ @abstractmethod
109
+ def __init__(
110
+ self,
111
+ estimator=None,
112
+ *,
113
+ n_estimators=10,
114
+ estimator_params=tuple(),
115
+ ):
116
+ # Set parameters
117
+ self.estimator = estimator
118
+ self.n_estimators = n_estimators
119
+ self.estimator_params = estimator_params
120
+
121
+ # Don't instantiate estimators now! Parameters of estimator might
122
+ # still change. Eg., when grid-searching with the nested object syntax.
123
+ # self.estimators_ needs to be filled by the derived classes in fit.
124
+
125
+ def _validate_estimator(self, default=None):
126
+ """Check the base estimator.
127
+
128
+ Sets the `estimator_` attributes.
129
+ """
130
+ if self.estimator is not None:
131
+ self.estimator_ = self.estimator
132
+ else:
133
+ self.estimator_ = default
134
+
135
+ def _make_estimator(self, append=True, random_state=None):
136
+ """Make and configure a copy of the `estimator_` attribute.
137
+
138
+ Warning: This method should be used to properly instantiate new
139
+ sub-estimators.
140
+ """
141
+ estimator = clone(self.estimator_)
142
+ estimator.set_params(**{p: getattr(self, p) for p in self.estimator_params})
143
+
144
+ if random_state is not None:
145
+ _set_random_states(estimator, random_state)
146
+
147
+ if append:
148
+ self.estimators_.append(estimator)
149
+
150
+ return estimator
151
+
152
+ def __len__(self):
153
+ """Return the number of estimators in the ensemble."""
154
+ return len(self.estimators_)
155
+
156
+ def __getitem__(self, index):
157
+ """Return the index'th estimator in the ensemble."""
158
+ return self.estimators_[index]
159
+
160
+ def __iter__(self):
161
+ """Return iterator over estimators in the ensemble."""
162
+ return iter(self.estimators_)
163
+
164
+
165
+ def _partition_estimators(n_estimators, n_jobs):
166
+ """Private function used to partition estimators between jobs."""
167
+ # Compute the number of jobs
168
+ n_jobs = min(effective_n_jobs(n_jobs), n_estimators)
169
+
170
+ # Partition estimators between jobs
171
+ n_estimators_per_job = np.full(n_jobs, n_estimators // n_jobs, dtype=int)
172
+ n_estimators_per_job[: n_estimators % n_jobs] += 1
173
+ starts = np.cumsum(n_estimators_per_job)
174
+
175
+ return n_jobs, n_estimators_per_job.tolist(), [0] + starts.tolist()
176
+
177
+
178
+ class _BaseHeterogeneousEnsemble(
179
+ MetaEstimatorMixin, _BaseComposition, metaclass=ABCMeta
180
+ ):
181
+ """Base class for heterogeneous ensemble of learners.
182
+
183
+ Parameters
184
+ ----------
185
+ estimators : list of (str, estimator) tuples
186
+ The ensemble of estimators to use in the ensemble. Each element of the
187
+ list is defined as a tuple of string (i.e. name of the estimator) and
188
+ an estimator instance. An estimator can be set to `'drop'` using
189
+ `set_params`.
190
+
191
+ Attributes
192
+ ----------
193
+ estimators_ : list of estimators
194
+ The elements of the estimators parameter, having been fitted on the
195
+ training data. If an estimator has been set to `'drop'`, it will not
196
+ appear in `estimators_`.
197
+ """
198
+
199
+ @property
200
+ def named_estimators(self):
201
+ """Dictionary to access any fitted sub-estimators by name.
202
+
203
+ Returns
204
+ -------
205
+ :class:`~sklearn.utils.Bunch`
206
+ """
207
+ return Bunch(**dict(self.estimators))
208
+
209
+ @abstractmethod
210
+ def __init__(self, estimators):
211
+ self.estimators = estimators
212
+
213
+ def _validate_estimators(self):
214
+ if len(self.estimators) == 0:
215
+ raise ValueError(
216
+ "Invalid 'estimators' attribute, 'estimators' should be a "
217
+ "non-empty list of (string, estimator) tuples."
218
+ )
219
+ names, estimators = zip(*self.estimators)
220
+ # defined by MetaEstimatorMixin
221
+ self._validate_names(names)
222
+
223
+ has_estimator = any(est != "drop" for est in estimators)
224
+ if not has_estimator:
225
+ raise ValueError(
226
+ "All estimators are dropped. At least one is required "
227
+ "to be an estimator."
228
+ )
229
+
230
+ is_estimator_type = is_classifier if is_classifier(self) else is_regressor
231
+
232
+ for est in estimators:
233
+ if est != "drop" and not is_estimator_type(est):
234
+ raise ValueError(
235
+ "The estimator {} should be a {}.".format(
236
+ est.__class__.__name__, is_estimator_type.__name__[3:]
237
+ )
238
+ )
239
+
240
+ return names, estimators
241
+
242
+ def set_params(self, **params):
243
+ """
244
+ Set the parameters of an estimator from the ensemble.
245
+
246
+ Valid parameter keys can be listed with `get_params()`. Note that you
247
+ can directly set the parameters of the estimators contained in
248
+ `estimators`.
249
+
250
+ Parameters
251
+ ----------
252
+ **params : keyword arguments
253
+ Specific parameters using e.g.
254
+ `set_params(parameter_name=new_value)`. In addition, to setting the
255
+ parameters of the estimator, the individual estimator of the
256
+ estimators can also be set, or can be removed by setting them to
257
+ 'drop'.
258
+
259
+ Returns
260
+ -------
261
+ self : object
262
+ Estimator instance.
263
+ """
264
+ super()._set_params("estimators", **params)
265
+ return self
266
+
267
+ def get_params(self, deep=True):
268
+ """
269
+ Get the parameters of an estimator from the ensemble.
270
+
271
+ Returns the parameters given in the constructor as well as the
272
+ estimators contained within the `estimators` parameter.
273
+
274
+ Parameters
275
+ ----------
276
+ deep : bool, default=True
277
+ Setting it to True gets the various estimators and the parameters
278
+ of the estimators as well.
279
+
280
+ Returns
281
+ -------
282
+ params : dict
283
+ Parameter and estimator names mapped to their values or parameter
284
+ names mapped to their values.
285
+ """
286
+ return super()._get_params("estimators", deep=deep)
287
+
288
+ def __sklearn_tags__(self):
289
+ tags = super().__sklearn_tags__()
290
+ try:
291
+ tags.input_tags.allow_nan = all(
292
+ get_tags(est[1]).input_tags.allow_nan if est[1] != "drop" else True
293
+ for est in self.estimators
294
+ )
295
+ tags.input_tags.sparse = all(
296
+ get_tags(est[1]).input_tags.sparse if est[1] != "drop" else True
297
+ for est in self.estimators
298
+ )
299
+ except Exception:
300
+ # If `estimators` does not comply with our API (list of tuples) then it will
301
+ # fail. In this case, we assume that `allow_nan` and `sparse` are False but
302
+ # the parameter validation will raise an error during `fit`.
303
+ pass # pragma: no cover
304
+ return tags
openflamingo/lib/python3.10/site-packages/sklearn/ensemble/_gradient_boosting.pyx ADDED
@@ -0,0 +1,262 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ # Authors: The scikit-learn developers
2
+ # SPDX-License-Identifier: BSD-3-Clause
3
+
4
+ from libc.stdlib cimport free
5
+ from libc.string cimport memset
6
+
7
+ import numpy as np
8
+ from scipy.sparse import issparse
9
+
10
+ from ..utils._typedefs cimport float32_t, float64_t, intp_t, int32_t, uint8_t
11
+ # Note: _tree uses cimport numpy, cnp.import_array, so we need to include
12
+ # numpy headers in the build configuration of this extension
13
+ from ..tree._tree cimport Node
14
+ from ..tree._tree cimport Tree
15
+ from ..tree._utils cimport safe_realloc
16
+
17
+
18
+ # no namespace lookup for numpy dtype and array creation
19
+ from numpy import zeros as np_zeros
20
+
21
+
22
+ # constant to mark tree leafs
23
+ cdef intp_t TREE_LEAF = -1
24
+
25
+ cdef void _predict_regression_tree_inplace_fast_dense(
26
+ const float32_t[:, ::1] X,
27
+ Node* root_node,
28
+ double *value,
29
+ double scale,
30
+ Py_ssize_t k,
31
+ float64_t[:, :] out
32
+ ) noexcept nogil:
33
+ """Predicts output for regression tree and stores it in ``out[i, k]``.
34
+
35
+ This function operates directly on the data arrays of the tree
36
+ data structures. This is 5x faster than the variant above because
37
+ it allows us to avoid buffer validation.
38
+
39
+ The function assumes that the ndarray that wraps ``X`` is
40
+ c-continuous.
41
+
42
+ Parameters
43
+ ----------
44
+ X : float32_t 2d memory view
45
+ The memory view on the data ndarray of the input ``X``.
46
+ Assumes that the array is c-continuous.
47
+ root_node : tree Node pointer
48
+ Pointer to the main node array of the :class:``sklearn.tree.Tree``.
49
+ value : np.float64_t pointer
50
+ The pointer to the data array of the ``value`` array attribute
51
+ of the :class:``sklearn.tree.Tree``.
52
+ scale : double
53
+ A constant to scale the predictions.
54
+ k : int
55
+ The index of the tree output to be predicted. Must satisfy
56
+ 0 <= ``k`` < ``K``.
57
+ out : memory view on array of type np.float64_t
58
+ The data array where the predictions are stored.
59
+ ``out`` is assumed to be a two-dimensional array of
60
+ shape ``(n_samples, K)``.
61
+ """
62
+ cdef intp_t n_samples = X.shape[0]
63
+ cdef Py_ssize_t i
64
+ cdef Node *node
65
+ for i in range(n_samples):
66
+ node = root_node
67
+ # While node not a leaf
68
+ while node.left_child != TREE_LEAF:
69
+ if X[i, node.feature] <= node.threshold:
70
+ node = root_node + node.left_child
71
+ else:
72
+ node = root_node + node.right_child
73
+ out[i, k] += scale * value[node - root_node]
74
+
75
+
76
+ def _predict_regression_tree_stages_sparse(
77
+ object[:, :] estimators,
78
+ object X,
79
+ double scale,
80
+ float64_t[:, :] out
81
+ ):
82
+ """Predicts output for regression tree inplace and adds scaled value to ``out[i, k]``.
83
+
84
+ The function assumes that the ndarray that wraps ``X`` is csr_matrix.
85
+ """
86
+ cdef const float32_t[::1] X_data = X.data
87
+ cdef const int32_t[::1] X_indices = X.indices
88
+ cdef const int32_t[::1] X_indptr = X.indptr
89
+
90
+ cdef intp_t n_samples = X.shape[0]
91
+ cdef intp_t n_features = X.shape[1]
92
+ cdef intp_t n_stages = estimators.shape[0]
93
+ cdef intp_t n_outputs = estimators.shape[1]
94
+
95
+ # Indices and temporary variables
96
+ cdef intp_t sample_i
97
+ cdef intp_t feature_i
98
+ cdef intp_t stage_i
99
+ cdef intp_t output_i
100
+ cdef Node *root_node = NULL
101
+ cdef Node *node = NULL
102
+ cdef double *value = NULL
103
+
104
+ cdef Tree tree
105
+ cdef Node** nodes = NULL
106
+ cdef double** values = NULL
107
+ safe_realloc(&nodes, n_stages * n_outputs)
108
+ safe_realloc(&values, n_stages * n_outputs)
109
+ for stage_i in range(n_stages):
110
+ for output_i in range(n_outputs):
111
+ tree = estimators[stage_i, output_i].tree_
112
+ nodes[stage_i * n_outputs + output_i] = tree.nodes
113
+ values[stage_i * n_outputs + output_i] = tree.value
114
+
115
+ # Initialize auxiliary data-structure
116
+ cdef float32_t feature_value = 0.
117
+ cdef float32_t* X_sample = NULL
118
+
119
+ # feature_to_sample as a data structure records the last seen sample
120
+ # for each feature; functionally, it is an efficient way to identify
121
+ # which features are nonzero in the present sample.
122
+ cdef intp_t* feature_to_sample = NULL
123
+
124
+ safe_realloc(&X_sample, n_features)
125
+ safe_realloc(&feature_to_sample, n_features)
126
+
127
+ memset(feature_to_sample, -1, n_features * sizeof(intp_t))
128
+
129
+ # Cycle through all samples
130
+ for sample_i in range(n_samples):
131
+ for feature_i in range(X_indptr[sample_i], X_indptr[sample_i + 1]):
132
+ feature_to_sample[X_indices[feature_i]] = sample_i
133
+ X_sample[X_indices[feature_i]] = X_data[feature_i]
134
+
135
+ # Cycle through all stages
136
+ for stage_i in range(n_stages):
137
+ # Cycle through all trees
138
+ for output_i in range(n_outputs):
139
+ root_node = nodes[stage_i * n_outputs + output_i]
140
+ value = values[stage_i * n_outputs + output_i]
141
+ node = root_node
142
+
143
+ # While node not a leaf
144
+ while node.left_child != TREE_LEAF:
145
+ # ... and node.right_child != TREE_LEAF:
146
+ if feature_to_sample[node.feature] == sample_i:
147
+ feature_value = X_sample[node.feature]
148
+ else:
149
+ feature_value = 0.
150
+
151
+ if feature_value <= node.threshold:
152
+ node = root_node + node.left_child
153
+ else:
154
+ node = root_node + node.right_child
155
+ out[sample_i, output_i] += scale * value[node - root_node]
156
+
157
+ # Free auxiliary arrays
158
+ free(X_sample)
159
+ free(feature_to_sample)
160
+ free(nodes)
161
+ free(values)
162
+
163
+
164
+ def predict_stages(
165
+ object[:, :] estimators,
166
+ object X,
167
+ double scale,
168
+ float64_t[:, :] out
169
+ ):
170
+ """Add predictions of ``estimators`` to ``out``.
171
+
172
+ Each estimator is scaled by ``scale`` before its prediction
173
+ is added to ``out``.
174
+ """
175
+ cdef Py_ssize_t i
176
+ cdef Py_ssize_t k
177
+ cdef Py_ssize_t n_estimators = estimators.shape[0]
178
+ cdef Py_ssize_t K = estimators.shape[1]
179
+ cdef Tree tree
180
+
181
+ if issparse(X):
182
+ if X.format != 'csr':
183
+ raise ValueError("When X is a sparse matrix, a CSR format is"
184
+ " expected, got {!r}".format(type(X)))
185
+ _predict_regression_tree_stages_sparse(
186
+ estimators=estimators, X=X, scale=scale, out=out
187
+ )
188
+ else:
189
+ if not isinstance(X, np.ndarray) or np.isfortran(X):
190
+ raise ValueError(f"X should be C-ordered np.ndarray, got {type(X)}")
191
+
192
+ for i in range(n_estimators):
193
+ for k in range(K):
194
+ tree = estimators[i, k].tree_
195
+
196
+ # avoid buffer validation by casting to ndarray
197
+ # and get data pointer
198
+ # need brackets because of casting operator priority
199
+ _predict_regression_tree_inplace_fast_dense(
200
+ X=X,
201
+ root_node=tree.nodes,
202
+ value=tree.value,
203
+ scale=scale,
204
+ k=k,
205
+ out=out
206
+ )
207
+ # out[:, k] += scale * tree.predict(X).ravel()
208
+
209
+
210
+ def predict_stage(
211
+ object[:, :] estimators,
212
+ int stage,
213
+ object X,
214
+ double scale,
215
+ float64_t[:, :] out
216
+ ):
217
+ """Add predictions of ``estimators[stage]`` to ``out``.
218
+
219
+ Each estimator in the stage is scaled by ``scale`` before
220
+ its prediction is added to ``out``.
221
+ """
222
+ return predict_stages(
223
+ estimators=estimators[stage:stage + 1], X=X, scale=scale, out=out
224
+ )
225
+
226
+
227
+ def _random_sample_mask(
228
+ intp_t n_total_samples,
229
+ intp_t n_total_in_bag,
230
+ random_state
231
+ ):
232
+ """Create a random sample mask where ``n_total_in_bag`` elements are set.
233
+
234
+ Parameters
235
+ ----------
236
+ n_total_samples : int
237
+ The length of the resulting mask.
238
+
239
+ n_total_in_bag : int
240
+ The number of elements in the sample mask which are set to 1.
241
+
242
+ random_state : RandomState
243
+ A numpy ``RandomState`` object.
244
+
245
+ Returns
246
+ -------
247
+ sample_mask : np.ndarray, shape=[n_total_samples]
248
+ An ndarray where ``n_total_in_bag`` elements are set to ``True``
249
+ the others are ``False``.
250
+ """
251
+ cdef float64_t[::1] rand = random_state.uniform(size=n_total_samples)
252
+ cdef uint8_t[::1] sample_mask = np_zeros((n_total_samples,), dtype=bool)
253
+
254
+ cdef intp_t n_bagged = 0
255
+ cdef intp_t i = 0
256
+
257
+ for i in range(n_total_samples):
258
+ if rand[i] * (n_total_samples - i) < (n_total_in_bag - n_bagged):
259
+ sample_mask[i] = 1
260
+ n_bagged += 1
261
+
262
+ return sample_mask.base
openflamingo/lib/python3.10/site-packages/sklearn/ensemble/_hist_gradient_boosting/__init__.py ADDED
@@ -0,0 +1,8 @@
 
 
 
 
 
 
 
 
 
1
+ """This module implements histogram-based gradient boosting estimators.
2
+
3
+ The implementation is a port from pygbm which is itself strongly inspired
4
+ from LightGBM.
5
+ """
6
+
7
+ # Authors: The scikit-learn developers
8
+ # SPDX-License-Identifier: BSD-3-Clause
openflamingo/lib/python3.10/site-packages/sklearn/ensemble/_hist_gradient_boosting/__pycache__/utils.cpython-310.pyc ADDED
Binary file (3.49 kB). View file
 
openflamingo/lib/python3.10/site-packages/sklearn/ensemble/_hist_gradient_boosting/_binning.pyx ADDED
@@ -0,0 +1,84 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ # Author: Nicolas Hug
2
+
3
+ from cython.parallel import prange
4
+ from libc.math cimport isnan
5
+
6
+ from .common cimport X_DTYPE_C, X_BINNED_DTYPE_C
7
+ from ...utils._typedefs cimport uint8_t
8
+
9
+
10
+ def _map_to_bins(const X_DTYPE_C [:, :] data,
11
+ list binning_thresholds,
12
+ const uint8_t[::1] is_categorical,
13
+ const uint8_t missing_values_bin_idx,
14
+ int n_threads,
15
+ X_BINNED_DTYPE_C [::1, :] binned):
16
+ """Bin continuous and categorical values to discrete integer-coded levels.
17
+
18
+ A given value x is mapped into bin value i iff
19
+ thresholds[i - 1] < x <= thresholds[i]
20
+
21
+ Parameters
22
+ ----------
23
+ data : ndarray, shape (n_samples, n_features)
24
+ The data to bin.
25
+ binning_thresholds : list of arrays
26
+ For each feature, stores the increasing numeric values that are
27
+ used to separate the bins.
28
+ is_categorical : ndarray of uint8_t of shape (n_features,)
29
+ Indicates categorical features.
30
+ n_threads : int
31
+ Number of OpenMP threads to use.
32
+ binned : ndarray, shape (n_samples, n_features)
33
+ Output array, must be fortran aligned.
34
+ """
35
+ cdef:
36
+ int feature_idx
37
+
38
+ for feature_idx in range(data.shape[1]):
39
+ _map_col_to_bins(
40
+ data[:, feature_idx],
41
+ binning_thresholds[feature_idx],
42
+ is_categorical[feature_idx],
43
+ missing_values_bin_idx,
44
+ n_threads,
45
+ binned[:, feature_idx]
46
+ )
47
+
48
+
49
+ cdef void _map_col_to_bins(
50
+ const X_DTYPE_C [:] data,
51
+ const X_DTYPE_C [:] binning_thresholds,
52
+ const uint8_t is_categorical,
53
+ const uint8_t missing_values_bin_idx,
54
+ int n_threads,
55
+ X_BINNED_DTYPE_C [:] binned
56
+ ):
57
+ """Binary search to find the bin index for each value in the data."""
58
+ cdef:
59
+ int i
60
+ int left
61
+ int right
62
+ int middle
63
+
64
+ for i in prange(data.shape[0], schedule='static', nogil=True,
65
+ num_threads=n_threads):
66
+ if (
67
+ isnan(data[i]) or
68
+ # To follow LightGBM's conventions, negative values for
69
+ # categorical features are considered as missing values.
70
+ (is_categorical and data[i] < 0)
71
+ ):
72
+ binned[i] = missing_values_bin_idx
73
+ else:
74
+ # for known values, use binary search
75
+ left, right = 0, binning_thresholds.shape[0]
76
+ while left < right:
77
+ # equal to (right + left - 1) // 2 but avoids overflow
78
+ middle = left + (right - left - 1) // 2
79
+ if data[i] <= binning_thresholds[middle]:
80
+ right = middle
81
+ else:
82
+ left = middle + 1
83
+
84
+ binned[i] = left
openflamingo/lib/python3.10/site-packages/sklearn/ensemble/_hist_gradient_boosting/_bitset.pxd ADDED
@@ -0,0 +1,20 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ from .common cimport X_BINNED_DTYPE_C
2
+ from .common cimport BITSET_DTYPE_C
3
+ from .common cimport BITSET_INNER_DTYPE_C
4
+ from .common cimport X_DTYPE_C
5
+ from ...utils._typedefs cimport uint8_t
6
+
7
+
8
+ cdef void init_bitset(BITSET_DTYPE_C bitset) noexcept nogil
9
+
10
+ cdef void set_bitset(BITSET_DTYPE_C bitset, X_BINNED_DTYPE_C val) noexcept nogil
11
+
12
+ cdef uint8_t in_bitset(BITSET_DTYPE_C bitset, X_BINNED_DTYPE_C val) noexcept nogil
13
+
14
+ cpdef uint8_t in_bitset_memoryview(const BITSET_INNER_DTYPE_C[:] bitset,
15
+ X_BINNED_DTYPE_C val) noexcept nogil
16
+
17
+ cdef uint8_t in_bitset_2d_memoryview(
18
+ const BITSET_INNER_DTYPE_C[:, :] bitset,
19
+ X_BINNED_DTYPE_C val,
20
+ unsigned int row) noexcept nogil
openflamingo/lib/python3.10/site-packages/sklearn/ensemble/_hist_gradient_boosting/_predictor.pyx ADDED
@@ -0,0 +1,255 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ # Author: Nicolas Hug
2
+
3
+ from cython.parallel import prange
4
+ from libc.math cimport isnan
5
+ import numpy as np
6
+
7
+ from ...utils._typedefs cimport intp_t, uint8_t
8
+ from .common cimport X_DTYPE_C
9
+ from .common cimport Y_DTYPE_C
10
+ from .common import Y_DTYPE
11
+ from .common cimport X_BINNED_DTYPE_C
12
+ from .common cimport BITSET_INNER_DTYPE_C
13
+ from .common cimport node_struct
14
+ from ._bitset cimport in_bitset_2d_memoryview
15
+
16
+
17
+ def _predict_from_raw_data( # raw data = non-binned data
18
+ const node_struct [:] nodes,
19
+ const X_DTYPE_C [:, :] numeric_data,
20
+ const BITSET_INNER_DTYPE_C [:, ::1] raw_left_cat_bitsets,
21
+ const BITSET_INNER_DTYPE_C [:, ::1] known_cat_bitsets,
22
+ const unsigned int [::1] f_idx_map,
23
+ int n_threads,
24
+ Y_DTYPE_C [:] out):
25
+
26
+ cdef:
27
+ int i
28
+
29
+ for i in prange(numeric_data.shape[0], schedule='static', nogil=True,
30
+ num_threads=n_threads):
31
+ out[i] = _predict_one_from_raw_data(
32
+ nodes, numeric_data, raw_left_cat_bitsets,
33
+ known_cat_bitsets,
34
+ f_idx_map, i)
35
+
36
+
37
+ cdef inline Y_DTYPE_C _predict_one_from_raw_data(
38
+ const node_struct [:] nodes,
39
+ const X_DTYPE_C [:, :] numeric_data,
40
+ const BITSET_INNER_DTYPE_C [:, ::1] raw_left_cat_bitsets,
41
+ const BITSET_INNER_DTYPE_C [:, ::1] known_cat_bitsets,
42
+ const unsigned int [::1] f_idx_map,
43
+ const int row) noexcept nogil:
44
+ # Need to pass the whole array and the row index, else prange won't work.
45
+ # See issue Cython #2798
46
+
47
+ cdef:
48
+ node_struct node = nodes[0]
49
+ unsigned int node_idx = 0
50
+ X_DTYPE_C data_val
51
+
52
+ while True:
53
+ if node.is_leaf:
54
+ return node.value
55
+
56
+ data_val = numeric_data[row, node.feature_idx]
57
+
58
+ if isnan(data_val):
59
+ if node.missing_go_to_left:
60
+ node_idx = node.left
61
+ else:
62
+ node_idx = node.right
63
+ elif node.is_categorical:
64
+ if data_val < 0:
65
+ # data_val is not in the accepted range, so it is treated as missing value
66
+ node_idx = node.left if node.missing_go_to_left else node.right
67
+ elif in_bitset_2d_memoryview(
68
+ raw_left_cat_bitsets,
69
+ <X_BINNED_DTYPE_C>data_val,
70
+ node.bitset_idx):
71
+ node_idx = node.left
72
+ elif in_bitset_2d_memoryview(
73
+ known_cat_bitsets,
74
+ <X_BINNED_DTYPE_C>data_val,
75
+ f_idx_map[node.feature_idx]):
76
+ node_idx = node.right
77
+ else:
78
+ # Treat unknown categories as missing.
79
+ node_idx = node.left if node.missing_go_to_left else node.right
80
+ else:
81
+ if data_val <= node.num_threshold:
82
+ node_idx = node.left
83
+ else:
84
+ node_idx = node.right
85
+ node = nodes[node_idx]
86
+
87
+
88
+ def _predict_from_binned_data(
89
+ node_struct [:] nodes,
90
+ const X_BINNED_DTYPE_C [:, :] binned_data,
91
+ BITSET_INNER_DTYPE_C [:, :] binned_left_cat_bitsets,
92
+ const uint8_t missing_values_bin_idx,
93
+ int n_threads,
94
+ Y_DTYPE_C [:] out):
95
+
96
+ cdef:
97
+ int i
98
+
99
+ for i in prange(binned_data.shape[0], schedule='static', nogil=True,
100
+ num_threads=n_threads):
101
+ out[i] = _predict_one_from_binned_data(nodes,
102
+ binned_data,
103
+ binned_left_cat_bitsets, i,
104
+ missing_values_bin_idx)
105
+
106
+
107
+ cdef inline Y_DTYPE_C _predict_one_from_binned_data(
108
+ node_struct [:] nodes,
109
+ const X_BINNED_DTYPE_C [:, :] binned_data,
110
+ const BITSET_INNER_DTYPE_C [:, :] binned_left_cat_bitsets,
111
+ const int row,
112
+ const uint8_t missing_values_bin_idx) noexcept nogil:
113
+ # Need to pass the whole array and the row index, else prange won't work.
114
+ # See issue Cython #2798
115
+
116
+ cdef:
117
+ node_struct node = nodes[0]
118
+ unsigned int node_idx = 0
119
+ X_BINNED_DTYPE_C data_val
120
+
121
+ while True:
122
+ if node.is_leaf:
123
+ return node.value
124
+
125
+ data_val = binned_data[row, node.feature_idx]
126
+
127
+ if data_val == missing_values_bin_idx:
128
+ if node.missing_go_to_left:
129
+ node_idx = node.left
130
+ else:
131
+ node_idx = node.right
132
+ elif node.is_categorical:
133
+ if in_bitset_2d_memoryview(
134
+ binned_left_cat_bitsets,
135
+ data_val,
136
+ node.bitset_idx):
137
+ node_idx = node.left
138
+ else:
139
+ node_idx = node.right
140
+ else:
141
+ if data_val <= node.bin_threshold:
142
+ node_idx = node.left
143
+ else:
144
+ node_idx = node.right
145
+ node = nodes[node_idx]
146
+
147
+
148
+ def _compute_partial_dependence(
149
+ node_struct [:] nodes,
150
+ const X_DTYPE_C [:, ::1] X,
151
+ const intp_t [:] target_features,
152
+ Y_DTYPE_C [:] out
153
+ ):
154
+ """Partial dependence of the response on the ``target_features`` set.
155
+
156
+ For each sample in ``X`` a tree traversal is performed.
157
+ Each traversal starts from the root with weight 1.0.
158
+
159
+ At each non-leaf node that splits on a target feature, either
160
+ the left child or the right child is visited based on the feature
161
+ value of the current sample, and the weight is not modified.
162
+ At each non-leaf node that splits on a complementary feature,
163
+ both children are visited and the weight is multiplied by the fraction
164
+ of training samples which went to each child.
165
+
166
+ At each leaf, the value of the node is multiplied by the current
167
+ weight (weights sum to 1 for all visited terminal nodes).
168
+
169
+ Parameters
170
+ ----------
171
+ nodes : view on array of PREDICTOR_RECORD_DTYPE, shape (n_nodes)
172
+ The array representing the predictor tree.
173
+ X : view on 2d ndarray, shape (n_samples, n_target_features)
174
+ The grid points on which the partial dependence should be
175
+ evaluated.
176
+ target_features : view on 1d ndarray of intp_t, shape (n_target_features)
177
+ The set of target features for which the partial dependence
178
+ should be evaluated.
179
+ out : view on 1d ndarray, shape (n_samples)
180
+ The value of the partial dependence function on each grid
181
+ point.
182
+ """
183
+
184
+ cdef:
185
+ unsigned int current_node_idx
186
+ unsigned int [:] node_idx_stack = np.zeros(shape=nodes.shape[0],
187
+ dtype=np.uint32)
188
+ Y_DTYPE_C [::1] weight_stack = np.zeros(shape=nodes.shape[0],
189
+ dtype=Y_DTYPE)
190
+ node_struct * current_node # pointer to avoid copying attributes
191
+
192
+ unsigned int sample_idx
193
+ intp_t feature_idx
194
+ unsigned stack_size
195
+ Y_DTYPE_C left_sample_frac
196
+ Y_DTYPE_C current_weight
197
+ Y_DTYPE_C total_weight # used for sanity check only
198
+ bint is_target_feature
199
+
200
+ for sample_idx in range(X.shape[0]):
201
+ # init stacks for current sample
202
+ stack_size = 1
203
+ node_idx_stack[0] = 0 # root node
204
+ weight_stack[0] = 1 # all the samples are in the root node
205
+ total_weight = 0
206
+
207
+ while stack_size > 0:
208
+
209
+ # pop the stack
210
+ stack_size -= 1
211
+ current_node_idx = node_idx_stack[stack_size]
212
+ current_node = &nodes[current_node_idx]
213
+
214
+ if current_node.is_leaf:
215
+ out[sample_idx] += (weight_stack[stack_size] *
216
+ current_node.value)
217
+ total_weight += weight_stack[stack_size]
218
+ else:
219
+ # determine if the split feature is a target feature
220
+ is_target_feature = False
221
+ for feature_idx in range(target_features.shape[0]):
222
+ if target_features[feature_idx] == current_node.feature_idx:
223
+ is_target_feature = True
224
+ break
225
+
226
+ if is_target_feature:
227
+ # In this case, we push left or right child on stack
228
+ if X[sample_idx, feature_idx] <= current_node.num_threshold:
229
+ node_idx_stack[stack_size] = current_node.left
230
+ else:
231
+ node_idx_stack[stack_size] = current_node.right
232
+ stack_size += 1
233
+ else:
234
+ # In this case, we push both children onto the stack,
235
+ # and give a weight proportional to the number of
236
+ # samples going through each branch.
237
+
238
+ # push left child
239
+ node_idx_stack[stack_size] = current_node.left
240
+ left_sample_frac = (
241
+ <Y_DTYPE_C> nodes[current_node.left].count /
242
+ current_node.count)
243
+ current_weight = weight_stack[stack_size]
244
+ weight_stack[stack_size] = current_weight * left_sample_frac
245
+ stack_size += 1
246
+
247
+ # push right child
248
+ node_idx_stack[stack_size] = current_node.right
249
+ weight_stack[stack_size] = (
250
+ current_weight * (1 - left_sample_frac))
251
+ stack_size += 1
252
+
253
+ # Sanity check. Should never happen.
254
+ if not (0.999 < total_weight < 1.001):
255
+ raise ValueError("Total weight should be 1.0 but was %.9f" %total_weight)
openflamingo/lib/python3.10/site-packages/sklearn/ensemble/_hist_gradient_boosting/common.pxd ADDED
@@ -0,0 +1,43 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ from ...utils._typedefs cimport float32_t, float64_t, intp_t, uint8_t, uint32_t
2
+
3
+
4
+ ctypedef float64_t X_DTYPE_C
5
+ ctypedef uint8_t X_BINNED_DTYPE_C
6
+ ctypedef float64_t Y_DTYPE_C
7
+ ctypedef float32_t G_H_DTYPE_C
8
+ ctypedef uint32_t BITSET_INNER_DTYPE_C
9
+ ctypedef BITSET_INNER_DTYPE_C[8] BITSET_DTYPE_C
10
+
11
+
12
+ cdef packed struct hist_struct:
13
+ # Same as histogram dtype but we need a struct to declare views. It needs
14
+ # to be packed since by default numpy dtypes aren't aligned
15
+ Y_DTYPE_C sum_gradients
16
+ Y_DTYPE_C sum_hessians
17
+ unsigned int count
18
+
19
+
20
+ cdef packed struct node_struct:
21
+ # Equivalent struct to PREDICTOR_RECORD_DTYPE to use in memory views. It
22
+ # needs to be packed since by default numpy dtypes aren't aligned
23
+ Y_DTYPE_C value
24
+ unsigned int count
25
+ intp_t feature_idx
26
+ X_DTYPE_C num_threshold
27
+ uint8_t missing_go_to_left
28
+ unsigned int left
29
+ unsigned int right
30
+ Y_DTYPE_C gain
31
+ unsigned int depth
32
+ uint8_t is_leaf
33
+ X_BINNED_DTYPE_C bin_threshold
34
+ uint8_t is_categorical
35
+ # The index of the corresponding bitsets in the Predictor's bitset arrays.
36
+ # Only used if is_categorical is True
37
+ unsigned int bitset_idx
38
+
39
+
40
+ cpdef enum MonotonicConstraint:
41
+ NO_CST = 0
42
+ POS = 1
43
+ NEG = -1
openflamingo/lib/python3.10/site-packages/sklearn/ensemble/_hist_gradient_boosting/common.pyx ADDED
@@ -0,0 +1,44 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ import numpy as np
2
+
3
+ # Y_DYTPE is the dtype to which the targets y are converted to. This is also
4
+ # dtype for leaf values, gains, and sums of gradients / hessians. The gradients
5
+ # and hessians arrays are stored as floats to avoid using too much memory.
6
+ Y_DTYPE = np.float64
7
+ X_DTYPE = np.float64
8
+ X_BINNED_DTYPE = np.uint8 # hence max_bins == 256
9
+ # dtype for gradients and hessians arrays
10
+ G_H_DTYPE = np.float32
11
+ X_BITSET_INNER_DTYPE = np.uint32
12
+
13
+ # Note that we use Y_DTYPE=float64 to avoid issues with floating point precision when
14
+ # summing gradients and hessians (both float32). Those are difficult to protect via
15
+ # tools like (Kahan-) Neumaier summation as in CPython, see
16
+ # https://github.com/python/cpython/issues/100425, or pairwise summation as numpy, see
17
+ # https://github.com/numpy/numpy/pull/3685, due to the way histograms are summed
18
+ # (number of additions per bin is not known in advance). See also comment in
19
+ # _subtract_histograms.
20
+ HISTOGRAM_DTYPE = np.dtype([
21
+ ('sum_gradients', Y_DTYPE), # sum of sample gradients in bin
22
+ ('sum_hessians', Y_DTYPE), # sum of sample hessians in bin
23
+ ('count', np.uint32), # number of samples in bin
24
+ ])
25
+
26
+ PREDICTOR_RECORD_DTYPE = np.dtype([
27
+ ('value', Y_DTYPE),
28
+ ('count', np.uint32),
29
+ ('feature_idx', np.intp),
30
+ ('num_threshold', X_DTYPE),
31
+ ('missing_go_to_left', np.uint8),
32
+ ('left', np.uint32),
33
+ ('right', np.uint32),
34
+ ('gain', Y_DTYPE),
35
+ ('depth', np.uint32),
36
+ ('is_leaf', np.uint8),
37
+ ('bin_threshold', X_BINNED_DTYPE),
38
+ ('is_categorical', np.uint8),
39
+ # The index of the corresponding bitsets in the Predictor's bitset arrays.
40
+ # Only used if is_categorical is True
41
+ ('bitset_idx', np.uint32)
42
+ ])
43
+
44
+ ALMOST_INF = 1e300 # see LightGBM AvoidInf()
openflamingo/lib/python3.10/site-packages/sklearn/ensemble/_hist_gradient_boosting/grower.py ADDED
@@ -0,0 +1,807 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ """
2
+ This module contains the TreeGrower class.
3
+
4
+ TreeGrower builds a regression tree fitting a Newton-Raphson step, based on
5
+ the gradients and hessians of the training data.
6
+ """
7
+
8
+ # Authors: The scikit-learn developers
9
+ # SPDX-License-Identifier: BSD-3-Clause
10
+
11
+ import numbers
12
+ from heapq import heappop, heappush
13
+ from timeit import default_timer as time
14
+
15
+ import numpy as np
16
+
17
+ from sklearn.utils._openmp_helpers import _openmp_effective_n_threads
18
+
19
+ from ...utils.arrayfuncs import sum_parallel
20
+ from ._bitset import set_raw_bitset_from_binned_bitset
21
+ from .common import (
22
+ PREDICTOR_RECORD_DTYPE,
23
+ X_BITSET_INNER_DTYPE,
24
+ MonotonicConstraint,
25
+ )
26
+ from .histogram import HistogramBuilder
27
+ from .predictor import TreePredictor
28
+ from .splitting import Splitter
29
+
30
+
31
+ class TreeNode:
32
+ """Tree Node class used in TreeGrower.
33
+
34
+ This isn't used for prediction purposes, only for training (see
35
+ TreePredictor).
36
+
37
+ Parameters
38
+ ----------
39
+ depth : int
40
+ The depth of the node, i.e. its distance from the root.
41
+ sample_indices : ndarray of shape (n_samples_at_node,), dtype=np.uint32
42
+ The indices of the samples at the node.
43
+ partition_start : int
44
+ start position of the node's sample_indices in splitter.partition.
45
+ partition_stop : int
46
+ stop position of the node's sample_indices in splitter.partition.
47
+ sum_gradients : float
48
+ The sum of the gradients of the samples at the node.
49
+ sum_hessians : float
50
+ The sum of the hessians of the samples at the node.
51
+
52
+ Attributes
53
+ ----------
54
+ depth : int
55
+ The depth of the node, i.e. its distance from the root.
56
+ sample_indices : ndarray of shape (n_samples_at_node,), dtype=np.uint32
57
+ The indices of the samples at the node.
58
+ sum_gradients : float
59
+ The sum of the gradients of the samples at the node.
60
+ sum_hessians : float
61
+ The sum of the hessians of the samples at the node.
62
+ split_info : SplitInfo or None
63
+ The result of the split evaluation.
64
+ is_leaf : bool
65
+ True if node is a leaf
66
+ left_child : TreeNode or None
67
+ The left child of the node. None for leaves.
68
+ right_child : TreeNode or None
69
+ The right child of the node. None for leaves.
70
+ value : float or None
71
+ The value of the leaf, as computed in finalize_leaf(). None for
72
+ non-leaf nodes.
73
+ partition_start : int
74
+ start position of the node's sample_indices in splitter.partition.
75
+ partition_stop : int
76
+ stop position of the node's sample_indices in splitter.partition.
77
+ allowed_features : None or ndarray, dtype=int
78
+ Indices of features allowed to split for children.
79
+ interaction_cst_indices : None or list of ints
80
+ Indices of the interaction sets that have to be applied on splits of
81
+ child nodes. The fewer sets the stronger the constraint as fewer sets
82
+ contain fewer features.
83
+ children_lower_bound : float
84
+ children_upper_bound : float
85
+ """
86
+
87
+ def __init__(
88
+ self,
89
+ *,
90
+ depth,
91
+ sample_indices,
92
+ partition_start,
93
+ partition_stop,
94
+ sum_gradients,
95
+ sum_hessians,
96
+ value=None,
97
+ ):
98
+ self.depth = depth
99
+ self.sample_indices = sample_indices
100
+ self.n_samples = sample_indices.shape[0]
101
+ self.sum_gradients = sum_gradients
102
+ self.sum_hessians = sum_hessians
103
+ self.value = value
104
+ self.is_leaf = False
105
+ self.allowed_features = None
106
+ self.interaction_cst_indices = None
107
+ self.set_children_bounds(float("-inf"), float("+inf"))
108
+ self.split_info = None
109
+ self.left_child = None
110
+ self.right_child = None
111
+ self.histograms = None
112
+ # start and stop indices of the node in the splitter.partition
113
+ # array. Concretely,
114
+ # self.sample_indices = view(self.splitter.partition[start:stop])
115
+ # Please see the comments about splitter.partition and
116
+ # splitter.split_indices for more info about this design.
117
+ # These 2 attributes are only used in _update_raw_prediction, because we
118
+ # need to iterate over the leaves and I don't know how to efficiently
119
+ # store the sample_indices views because they're all of different sizes.
120
+ self.partition_start = partition_start
121
+ self.partition_stop = partition_stop
122
+
123
+ def set_children_bounds(self, lower, upper):
124
+ """Set children values bounds to respect monotonic constraints."""
125
+
126
+ # These are bounds for the node's *children* values, not the node's
127
+ # value. The bounds are used in the splitter when considering potential
128
+ # left and right child.
129
+ self.children_lower_bound = lower
130
+ self.children_upper_bound = upper
131
+
132
+ def __lt__(self, other_node):
133
+ """Comparison for priority queue.
134
+
135
+ Nodes with high gain are higher priority than nodes with low gain.
136
+
137
+ heapq.heappush only need the '<' operator.
138
+ heapq.heappop take the smallest item first (smaller is higher
139
+ priority).
140
+
141
+ Parameters
142
+ ----------
143
+ other_node : TreeNode
144
+ The node to compare with.
145
+ """
146
+ return self.split_info.gain > other_node.split_info.gain
147
+
148
+
149
+ class TreeGrower:
150
+ """Tree grower class used to build a tree.
151
+
152
+ The tree is fitted to predict the values of a Newton-Raphson step. The
153
+ splits are considered in a best-first fashion, and the quality of a
154
+ split is defined in splitting._split_gain.
155
+
156
+ Parameters
157
+ ----------
158
+ X_binned : ndarray of shape (n_samples, n_features), dtype=np.uint8
159
+ The binned input samples. Must be Fortran-aligned.
160
+ gradients : ndarray of shape (n_samples,)
161
+ The gradients of each training sample. Those are the gradients of the
162
+ loss w.r.t the predictions, evaluated at iteration ``i - 1``.
163
+ hessians : ndarray of shape (n_samples,)
164
+ The hessians of each training sample. Those are the hessians of the
165
+ loss w.r.t the predictions, evaluated at iteration ``i - 1``.
166
+ max_leaf_nodes : int, default=None
167
+ The maximum number of leaves for each tree. If None, there is no
168
+ maximum limit.
169
+ max_depth : int, default=None
170
+ The maximum depth of each tree. The depth of a tree is the number of
171
+ edges to go from the root to the deepest leaf.
172
+ Depth isn't constrained by default.
173
+ min_samples_leaf : int, default=20
174
+ The minimum number of samples per leaf.
175
+ min_gain_to_split : float, default=0.
176
+ The minimum gain needed to split a node. Splits with lower gain will
177
+ be ignored.
178
+ min_hessian_to_split : float, default=1e-3
179
+ The minimum sum of hessians needed in each node. Splits that result in
180
+ at least one child having a sum of hessians less than
181
+ ``min_hessian_to_split`` are discarded.
182
+ n_bins : int, default=256
183
+ The total number of bins, including the bin for missing values. Used
184
+ to define the shape of the histograms.
185
+ n_bins_non_missing : ndarray, dtype=np.uint32, default=None
186
+ For each feature, gives the number of bins actually used for
187
+ non-missing values. For features with a lot of unique values, this
188
+ is equal to ``n_bins - 1``. If it's an int, all features are
189
+ considered to have the same number of bins. If None, all features
190
+ are considered to have ``n_bins - 1`` bins.
191
+ has_missing_values : bool or ndarray, dtype=bool, default=False
192
+ Whether each feature contains missing values (in the training data).
193
+ If it's a bool, the same value is used for all features.
194
+ is_categorical : ndarray of bool of shape (n_features,), default=None
195
+ Indicates categorical features.
196
+ monotonic_cst : array-like of int of shape (n_features,), dtype=int, default=None
197
+ Indicates the monotonic constraint to enforce on each feature.
198
+ - 1: monotonic increase
199
+ - 0: no constraint
200
+ - -1: monotonic decrease
201
+
202
+ Read more in the :ref:`User Guide <monotonic_cst_gbdt>`.
203
+ interaction_cst : list of sets of integers, default=None
204
+ List of interaction constraints.
205
+ l2_regularization : float, default=0.
206
+ The L2 regularization parameter penalizing leaves with small hessians.
207
+ Use ``0`` for no regularization (default).
208
+ feature_fraction_per_split : float, default=1
209
+ Proportion of randomly chosen features in each and every node split.
210
+ This is a form of regularization, smaller values make the trees weaker
211
+ learners and might prevent overfitting.
212
+ rng : Generator
213
+ Numpy random Generator used for feature subsampling.
214
+ shrinkage : float, default=1.
215
+ The shrinkage parameter to apply to the leaves values, also known as
216
+ learning rate.
217
+ n_threads : int, default=None
218
+ Number of OpenMP threads to use. `_openmp_effective_n_threads` is called
219
+ to determine the effective number of threads use, which takes cgroups CPU
220
+ quotes into account. See the docstring of `_openmp_effective_n_threads`
221
+ for details.
222
+
223
+ Attributes
224
+ ----------
225
+ histogram_builder : HistogramBuilder
226
+ splitter : Splitter
227
+ root : TreeNode
228
+ finalized_leaves : list of TreeNode
229
+ splittable_nodes : list of TreeNode
230
+ missing_values_bin_idx : int
231
+ Equals n_bins - 1
232
+ n_categorical_splits : int
233
+ n_features : int
234
+ n_nodes : int
235
+ total_find_split_time : float
236
+ Time spent finding the best splits
237
+ total_compute_hist_time : float
238
+ Time spent computing histograms
239
+ total_apply_split_time : float
240
+ Time spent splitting nodes
241
+ with_monotonic_cst : bool
242
+ Whether there are monotonic constraints that apply. False iff monotonic_cst is
243
+ None.
244
+ """
245
+
246
+ def __init__(
247
+ self,
248
+ X_binned,
249
+ gradients,
250
+ hessians,
251
+ max_leaf_nodes=None,
252
+ max_depth=None,
253
+ min_samples_leaf=20,
254
+ min_gain_to_split=0.0,
255
+ min_hessian_to_split=1e-3,
256
+ n_bins=256,
257
+ n_bins_non_missing=None,
258
+ has_missing_values=False,
259
+ is_categorical=None,
260
+ monotonic_cst=None,
261
+ interaction_cst=None,
262
+ l2_regularization=0.0,
263
+ feature_fraction_per_split=1.0,
264
+ rng=np.random.default_rng(),
265
+ shrinkage=1.0,
266
+ n_threads=None,
267
+ ):
268
+ self._validate_parameters(
269
+ X_binned,
270
+ min_gain_to_split,
271
+ min_hessian_to_split,
272
+ )
273
+ n_threads = _openmp_effective_n_threads(n_threads)
274
+
275
+ if n_bins_non_missing is None:
276
+ n_bins_non_missing = n_bins - 1
277
+
278
+ if isinstance(n_bins_non_missing, numbers.Integral):
279
+ n_bins_non_missing = np.array(
280
+ [n_bins_non_missing] * X_binned.shape[1], dtype=np.uint32
281
+ )
282
+ else:
283
+ n_bins_non_missing = np.asarray(n_bins_non_missing, dtype=np.uint32)
284
+
285
+ if isinstance(has_missing_values, bool):
286
+ has_missing_values = [has_missing_values] * X_binned.shape[1]
287
+ has_missing_values = np.asarray(has_missing_values, dtype=np.uint8)
288
+
289
+ # `monotonic_cst` validation is done in _validate_monotonic_cst
290
+ # at the estimator level and therefore the following should not be
291
+ # needed when using the public API.
292
+ if monotonic_cst is None:
293
+ monotonic_cst = np.full(
294
+ shape=X_binned.shape[1],
295
+ fill_value=MonotonicConstraint.NO_CST,
296
+ dtype=np.int8,
297
+ )
298
+ else:
299
+ monotonic_cst = np.asarray(monotonic_cst, dtype=np.int8)
300
+ self.with_monotonic_cst = np.any(monotonic_cst != MonotonicConstraint.NO_CST)
301
+
302
+ if is_categorical is None:
303
+ is_categorical = np.zeros(shape=X_binned.shape[1], dtype=np.uint8)
304
+ else:
305
+ is_categorical = np.asarray(is_categorical, dtype=np.uint8)
306
+
307
+ if np.any(
308
+ np.logical_and(
309
+ is_categorical == 1, monotonic_cst != MonotonicConstraint.NO_CST
310
+ )
311
+ ):
312
+ raise ValueError("Categorical features cannot have monotonic constraints.")
313
+
314
+ hessians_are_constant = hessians.shape[0] == 1
315
+ self.histogram_builder = HistogramBuilder(
316
+ X_binned, n_bins, gradients, hessians, hessians_are_constant, n_threads
317
+ )
318
+ missing_values_bin_idx = n_bins - 1
319
+ self.splitter = Splitter(
320
+ X_binned=X_binned,
321
+ n_bins_non_missing=n_bins_non_missing,
322
+ missing_values_bin_idx=missing_values_bin_idx,
323
+ has_missing_values=has_missing_values,
324
+ is_categorical=is_categorical,
325
+ monotonic_cst=monotonic_cst,
326
+ l2_regularization=l2_regularization,
327
+ min_hessian_to_split=min_hessian_to_split,
328
+ min_samples_leaf=min_samples_leaf,
329
+ min_gain_to_split=min_gain_to_split,
330
+ hessians_are_constant=hessians_are_constant,
331
+ feature_fraction_per_split=feature_fraction_per_split,
332
+ rng=rng,
333
+ n_threads=n_threads,
334
+ )
335
+ self.X_binned = X_binned
336
+ self.max_leaf_nodes = max_leaf_nodes
337
+ self.max_depth = max_depth
338
+ self.min_samples_leaf = min_samples_leaf
339
+ self.min_gain_to_split = min_gain_to_split
340
+ self.n_bins_non_missing = n_bins_non_missing
341
+ self.missing_values_bin_idx = missing_values_bin_idx
342
+ self.has_missing_values = has_missing_values
343
+ self.is_categorical = is_categorical
344
+ self.monotonic_cst = monotonic_cst
345
+ self.interaction_cst = interaction_cst
346
+ self.l2_regularization = l2_regularization
347
+ self.shrinkage = shrinkage
348
+ self.n_features = X_binned.shape[1]
349
+ self.n_threads = n_threads
350
+ self.splittable_nodes = []
351
+ self.finalized_leaves = []
352
+ self.total_find_split_time = 0.0 # time spent finding the best splits
353
+ self.total_compute_hist_time = 0.0 # time spent computing histograms
354
+ self.total_apply_split_time = 0.0 # time spent splitting nodes
355
+ self.n_categorical_splits = 0
356
+ self._initialize_root(gradients, hessians)
357
+ self.n_nodes = 1
358
+
359
+ def _validate_parameters(
360
+ self,
361
+ X_binned,
362
+ min_gain_to_split,
363
+ min_hessian_to_split,
364
+ ):
365
+ """Validate parameters passed to __init__.
366
+
367
+ Also validate parameters passed to splitter.
368
+ """
369
+ if X_binned.dtype != np.uint8:
370
+ raise NotImplementedError("X_binned must be of type uint8.")
371
+ if not X_binned.flags.f_contiguous:
372
+ raise ValueError(
373
+ "X_binned should be passed as Fortran contiguous "
374
+ "array for maximum efficiency."
375
+ )
376
+ if min_gain_to_split < 0:
377
+ raise ValueError(
378
+ "min_gain_to_split={} must be positive.".format(min_gain_to_split)
379
+ )
380
+ if min_hessian_to_split < 0:
381
+ raise ValueError(
382
+ "min_hessian_to_split={} must be positive.".format(min_hessian_to_split)
383
+ )
384
+
385
+ def grow(self):
386
+ """Grow the tree, from root to leaves."""
387
+ while self.splittable_nodes:
388
+ self.split_next()
389
+
390
+ self._apply_shrinkage()
391
+
392
+ def _apply_shrinkage(self):
393
+ """Multiply leaves values by shrinkage parameter.
394
+
395
+ This must be done at the very end of the growing process. If this were
396
+ done during the growing process e.g. in finalize_leaf(), then a leaf
397
+ would be shrunk but its sibling would potentially not be (if it's a
398
+ non-leaf), which would lead to a wrong computation of the 'middle'
399
+ value needed to enforce the monotonic constraints.
400
+ """
401
+ for leaf in self.finalized_leaves:
402
+ leaf.value *= self.shrinkage
403
+
404
+ def _initialize_root(self, gradients, hessians):
405
+ """Initialize root node and finalize it if needed."""
406
+ n_samples = self.X_binned.shape[0]
407
+ depth = 0
408
+ sum_gradients = sum_parallel(gradients, self.n_threads)
409
+ if self.histogram_builder.hessians_are_constant:
410
+ sum_hessians = hessians[0] * n_samples
411
+ else:
412
+ sum_hessians = sum_parallel(hessians, self.n_threads)
413
+ self.root = TreeNode(
414
+ depth=depth,
415
+ sample_indices=self.splitter.partition,
416
+ partition_start=0,
417
+ partition_stop=n_samples,
418
+ sum_gradients=sum_gradients,
419
+ sum_hessians=sum_hessians,
420
+ value=0,
421
+ )
422
+
423
+ if self.root.n_samples < 2 * self.min_samples_leaf:
424
+ # Do not even bother computing any splitting statistics.
425
+ self._finalize_leaf(self.root)
426
+ return
427
+ if sum_hessians < self.splitter.min_hessian_to_split:
428
+ self._finalize_leaf(self.root)
429
+ return
430
+
431
+ if self.interaction_cst is not None:
432
+ self.root.interaction_cst_indices = range(len(self.interaction_cst))
433
+ allowed_features = set().union(*self.interaction_cst)
434
+ self.root.allowed_features = np.fromiter(
435
+ allowed_features, dtype=np.uint32, count=len(allowed_features)
436
+ )
437
+
438
+ tic = time()
439
+ self.root.histograms = self.histogram_builder.compute_histograms_brute(
440
+ self.root.sample_indices, self.root.allowed_features
441
+ )
442
+ self.total_compute_hist_time += time() - tic
443
+
444
+ tic = time()
445
+ self._compute_best_split_and_push(self.root)
446
+ self.total_find_split_time += time() - tic
447
+
448
+ def _compute_best_split_and_push(self, node):
449
+ """Compute the best possible split (SplitInfo) of a given node.
450
+
451
+ Also push it in the heap of splittable nodes if gain isn't zero.
452
+ The gain of a node is 0 if either all the leaves are pure
453
+ (best gain = 0), or if no split would satisfy the constraints,
454
+ (min_hessians_to_split, min_gain_to_split, min_samples_leaf)
455
+ """
456
+
457
+ node.split_info = self.splitter.find_node_split(
458
+ n_samples=node.n_samples,
459
+ histograms=node.histograms,
460
+ sum_gradients=node.sum_gradients,
461
+ sum_hessians=node.sum_hessians,
462
+ value=node.value,
463
+ lower_bound=node.children_lower_bound,
464
+ upper_bound=node.children_upper_bound,
465
+ allowed_features=node.allowed_features,
466
+ )
467
+
468
+ if node.split_info.gain <= 0: # no valid split
469
+ self._finalize_leaf(node)
470
+ else:
471
+ heappush(self.splittable_nodes, node)
472
+
473
+ def split_next(self):
474
+ """Split the node with highest potential gain.
475
+
476
+ Returns
477
+ -------
478
+ left : TreeNode
479
+ The resulting left child.
480
+ right : TreeNode
481
+ The resulting right child.
482
+ """
483
+ # Consider the node with the highest loss reduction (a.k.a. gain)
484
+ node = heappop(self.splittable_nodes)
485
+
486
+ tic = time()
487
+ (
488
+ sample_indices_left,
489
+ sample_indices_right,
490
+ right_child_pos,
491
+ ) = self.splitter.split_indices(node.split_info, node.sample_indices)
492
+ self.total_apply_split_time += time() - tic
493
+
494
+ depth = node.depth + 1
495
+ n_leaf_nodes = len(self.finalized_leaves) + len(self.splittable_nodes)
496
+ n_leaf_nodes += 2
497
+
498
+ left_child_node = TreeNode(
499
+ depth=depth,
500
+ sample_indices=sample_indices_left,
501
+ partition_start=node.partition_start,
502
+ partition_stop=node.partition_start + right_child_pos,
503
+ sum_gradients=node.split_info.sum_gradient_left,
504
+ sum_hessians=node.split_info.sum_hessian_left,
505
+ value=node.split_info.value_left,
506
+ )
507
+ right_child_node = TreeNode(
508
+ depth=depth,
509
+ sample_indices=sample_indices_right,
510
+ partition_start=left_child_node.partition_stop,
511
+ partition_stop=node.partition_stop,
512
+ sum_gradients=node.split_info.sum_gradient_right,
513
+ sum_hessians=node.split_info.sum_hessian_right,
514
+ value=node.split_info.value_right,
515
+ )
516
+
517
+ node.right_child = right_child_node
518
+ node.left_child = left_child_node
519
+
520
+ # set interaction constraints (the indices of the constraints sets)
521
+ if self.interaction_cst is not None:
522
+ # Calculate allowed_features and interaction_cst_indices only once. Child
523
+ # nodes inherit them before they get split.
524
+ (
525
+ left_child_node.allowed_features,
526
+ left_child_node.interaction_cst_indices,
527
+ ) = self._compute_interactions(node)
528
+ right_child_node.interaction_cst_indices = (
529
+ left_child_node.interaction_cst_indices
530
+ )
531
+ right_child_node.allowed_features = left_child_node.allowed_features
532
+
533
+ if not self.has_missing_values[node.split_info.feature_idx]:
534
+ # If no missing values are encountered at fit time, then samples
535
+ # with missing values during predict() will go to whichever child
536
+ # has the most samples.
537
+ node.split_info.missing_go_to_left = (
538
+ left_child_node.n_samples > right_child_node.n_samples
539
+ )
540
+
541
+ self.n_nodes += 2
542
+ self.n_categorical_splits += node.split_info.is_categorical
543
+
544
+ if self.max_leaf_nodes is not None and n_leaf_nodes == self.max_leaf_nodes:
545
+ self._finalize_leaf(left_child_node)
546
+ self._finalize_leaf(right_child_node)
547
+ self._finalize_splittable_nodes()
548
+ return left_child_node, right_child_node
549
+
550
+ if self.max_depth is not None and depth == self.max_depth:
551
+ self._finalize_leaf(left_child_node)
552
+ self._finalize_leaf(right_child_node)
553
+ return left_child_node, right_child_node
554
+
555
+ if left_child_node.n_samples < self.min_samples_leaf * 2:
556
+ self._finalize_leaf(left_child_node)
557
+ if right_child_node.n_samples < self.min_samples_leaf * 2:
558
+ self._finalize_leaf(right_child_node)
559
+
560
+ if self.with_monotonic_cst:
561
+ # Set value bounds for respecting monotonic constraints
562
+ # See test_nodes_values() for details
563
+ if (
564
+ self.monotonic_cst[node.split_info.feature_idx]
565
+ == MonotonicConstraint.NO_CST
566
+ ):
567
+ lower_left = lower_right = node.children_lower_bound
568
+ upper_left = upper_right = node.children_upper_bound
569
+ else:
570
+ mid = (left_child_node.value + right_child_node.value) / 2
571
+ if (
572
+ self.monotonic_cst[node.split_info.feature_idx]
573
+ == MonotonicConstraint.POS
574
+ ):
575
+ lower_left, upper_left = node.children_lower_bound, mid
576
+ lower_right, upper_right = mid, node.children_upper_bound
577
+ else: # NEG
578
+ lower_left, upper_left = mid, node.children_upper_bound
579
+ lower_right, upper_right = node.children_lower_bound, mid
580
+ left_child_node.set_children_bounds(lower_left, upper_left)
581
+ right_child_node.set_children_bounds(lower_right, upper_right)
582
+
583
+ # Compute histograms of children, and compute their best possible split
584
+ # (if needed)
585
+ should_split_left = not left_child_node.is_leaf
586
+ should_split_right = not right_child_node.is_leaf
587
+ if should_split_left or should_split_right:
588
+ # We will compute the histograms of both nodes even if one of them
589
+ # is a leaf, since computing the second histogram is very cheap
590
+ # (using histogram subtraction).
591
+ n_samples_left = left_child_node.sample_indices.shape[0]
592
+ n_samples_right = right_child_node.sample_indices.shape[0]
593
+ if n_samples_left < n_samples_right:
594
+ smallest_child = left_child_node
595
+ largest_child = right_child_node
596
+ else:
597
+ smallest_child = right_child_node
598
+ largest_child = left_child_node
599
+
600
+ # We use the brute O(n_samples) method on the child that has the
601
+ # smallest number of samples, and the subtraction trick O(n_bins)
602
+ # on the other one.
603
+ # Note that both left and right child have the same allowed_features.
604
+ tic = time()
605
+ smallest_child.histograms = self.histogram_builder.compute_histograms_brute(
606
+ smallest_child.sample_indices, smallest_child.allowed_features
607
+ )
608
+ largest_child.histograms = (
609
+ self.histogram_builder.compute_histograms_subtraction(
610
+ node.histograms,
611
+ smallest_child.histograms,
612
+ smallest_child.allowed_features,
613
+ )
614
+ )
615
+ # node.histograms is reused in largest_child.histograms. To break cyclic
616
+ # memory references and help garbage collection, we set it to None.
617
+ node.histograms = None
618
+ self.total_compute_hist_time += time() - tic
619
+
620
+ tic = time()
621
+ if should_split_left:
622
+ self._compute_best_split_and_push(left_child_node)
623
+ if should_split_right:
624
+ self._compute_best_split_and_push(right_child_node)
625
+ self.total_find_split_time += time() - tic
626
+
627
+ # Release memory used by histograms as they are no longer needed
628
+ # for leaf nodes since they won't be split.
629
+ for child in (left_child_node, right_child_node):
630
+ if child.is_leaf:
631
+ del child.histograms
632
+
633
+ # Release memory used by histograms as they are no longer needed for
634
+ # internal nodes once children histograms have been computed.
635
+ del node.histograms
636
+
637
+ return left_child_node, right_child_node
638
+
639
+ def _compute_interactions(self, node):
640
+ r"""Compute features allowed by interactions to be inherited by child nodes.
641
+
642
+ Example: Assume constraints [{0, 1}, {1, 2}].
643
+ 1 <- Both constraint groups could be applied from now on
644
+ / \
645
+ 1 2 <- Left split still fulfills both constraint groups.
646
+ / \ / \ Right split at feature 2 has only group {1, 2} from now on.
647
+
648
+ LightGBM uses the same logic for overlapping groups. See
649
+ https://github.com/microsoft/LightGBM/issues/4481 for details.
650
+
651
+ Parameters:
652
+ ----------
653
+ node : TreeNode
654
+ A node that might have children. Based on its feature_idx, the interaction
655
+ constraints for possible child nodes are computed.
656
+
657
+ Returns
658
+ -------
659
+ allowed_features : ndarray, dtype=uint32
660
+ Indices of features allowed to split for children.
661
+ interaction_cst_indices : list of ints
662
+ Indices of the interaction sets that have to be applied on splits of
663
+ child nodes. The fewer sets the stronger the constraint as fewer sets
664
+ contain fewer features.
665
+ """
666
+ # Note:
667
+ # - Case of no interactions is already captured before function call.
668
+ # - This is for nodes that are already split and have a
669
+ # node.split_info.feature_idx.
670
+ allowed_features = set()
671
+ interaction_cst_indices = []
672
+ for i in node.interaction_cst_indices:
673
+ if node.split_info.feature_idx in self.interaction_cst[i]:
674
+ interaction_cst_indices.append(i)
675
+ allowed_features.update(self.interaction_cst[i])
676
+ return (
677
+ np.fromiter(allowed_features, dtype=np.uint32, count=len(allowed_features)),
678
+ interaction_cst_indices,
679
+ )
680
+
681
+ def _finalize_leaf(self, node):
682
+ """Make node a leaf of the tree being grown."""
683
+
684
+ node.is_leaf = True
685
+ self.finalized_leaves.append(node)
686
+
687
+ def _finalize_splittable_nodes(self):
688
+ """Transform all splittable nodes into leaves.
689
+
690
+ Used when some constraint is met e.g. maximum number of leaves or
691
+ maximum depth."""
692
+ while len(self.splittable_nodes) > 0:
693
+ node = self.splittable_nodes.pop()
694
+ self._finalize_leaf(node)
695
+
696
+ def make_predictor(self, binning_thresholds):
697
+ """Make a TreePredictor object out of the current tree.
698
+
699
+ Parameters
700
+ ----------
701
+ binning_thresholds : array-like of floats
702
+ Corresponds to the bin_thresholds_ attribute of the BinMapper.
703
+ For each feature, this stores:
704
+
705
+ - the bin frontiers for continuous features
706
+ - the unique raw category values for categorical features
707
+
708
+ Returns
709
+ -------
710
+ A TreePredictor object.
711
+ """
712
+ predictor_nodes = np.zeros(self.n_nodes, dtype=PREDICTOR_RECORD_DTYPE)
713
+ binned_left_cat_bitsets = np.zeros(
714
+ (self.n_categorical_splits, 8), dtype=X_BITSET_INNER_DTYPE
715
+ )
716
+ raw_left_cat_bitsets = np.zeros(
717
+ (self.n_categorical_splits, 8), dtype=X_BITSET_INNER_DTYPE
718
+ )
719
+ _fill_predictor_arrays(
720
+ predictor_nodes,
721
+ binned_left_cat_bitsets,
722
+ raw_left_cat_bitsets,
723
+ self.root,
724
+ binning_thresholds,
725
+ self.n_bins_non_missing,
726
+ )
727
+ return TreePredictor(
728
+ predictor_nodes, binned_left_cat_bitsets, raw_left_cat_bitsets
729
+ )
730
+
731
+
732
+ def _fill_predictor_arrays(
733
+ predictor_nodes,
734
+ binned_left_cat_bitsets,
735
+ raw_left_cat_bitsets,
736
+ grower_node,
737
+ binning_thresholds,
738
+ n_bins_non_missing,
739
+ next_free_node_idx=0,
740
+ next_free_bitset_idx=0,
741
+ ):
742
+ """Helper used in make_predictor to set the TreePredictor fields."""
743
+ node = predictor_nodes[next_free_node_idx]
744
+ node["count"] = grower_node.n_samples
745
+ node["depth"] = grower_node.depth
746
+ if grower_node.split_info is not None:
747
+ node["gain"] = grower_node.split_info.gain
748
+ else:
749
+ node["gain"] = -1
750
+
751
+ node["value"] = grower_node.value
752
+
753
+ if grower_node.is_leaf:
754
+ # Leaf node
755
+ node["is_leaf"] = True
756
+ return next_free_node_idx + 1, next_free_bitset_idx
757
+
758
+ split_info = grower_node.split_info
759
+ feature_idx, bin_idx = split_info.feature_idx, split_info.bin_idx
760
+ node["feature_idx"] = feature_idx
761
+ node["bin_threshold"] = bin_idx
762
+ node["missing_go_to_left"] = split_info.missing_go_to_left
763
+ node["is_categorical"] = split_info.is_categorical
764
+
765
+ if split_info.bin_idx == n_bins_non_missing[feature_idx] - 1:
766
+ # Split is on the last non-missing bin: it's a "split on nans".
767
+ # All nans go to the right, the rest go to the left.
768
+ # Note: for categorical splits, bin_idx is 0 and we rely on the bitset
769
+ node["num_threshold"] = np.inf
770
+ elif split_info.is_categorical:
771
+ categories = binning_thresholds[feature_idx]
772
+ node["bitset_idx"] = next_free_bitset_idx
773
+ binned_left_cat_bitsets[next_free_bitset_idx] = split_info.left_cat_bitset
774
+ set_raw_bitset_from_binned_bitset(
775
+ raw_left_cat_bitsets[next_free_bitset_idx],
776
+ split_info.left_cat_bitset,
777
+ categories,
778
+ )
779
+ next_free_bitset_idx += 1
780
+ else:
781
+ node["num_threshold"] = binning_thresholds[feature_idx][bin_idx]
782
+
783
+ next_free_node_idx += 1
784
+
785
+ node["left"] = next_free_node_idx
786
+ next_free_node_idx, next_free_bitset_idx = _fill_predictor_arrays(
787
+ predictor_nodes,
788
+ binned_left_cat_bitsets,
789
+ raw_left_cat_bitsets,
790
+ grower_node.left_child,
791
+ binning_thresholds=binning_thresholds,
792
+ n_bins_non_missing=n_bins_non_missing,
793
+ next_free_node_idx=next_free_node_idx,
794
+ next_free_bitset_idx=next_free_bitset_idx,
795
+ )
796
+
797
+ node["right"] = next_free_node_idx
798
+ return _fill_predictor_arrays(
799
+ predictor_nodes,
800
+ binned_left_cat_bitsets,
801
+ raw_left_cat_bitsets,
802
+ grower_node.right_child,
803
+ binning_thresholds=binning_thresholds,
804
+ n_bins_non_missing=n_bins_non_missing,
805
+ next_free_node_idx=next_free_node_idx,
806
+ next_free_bitset_idx=next_free_bitset_idx,
807
+ )
openflamingo/lib/python3.10/site-packages/sklearn/ensemble/_hist_gradient_boosting/predictor.py ADDED
@@ -0,0 +1,146 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ """
2
+ This module contains the TreePredictor class which is used for prediction.
3
+ """
4
+
5
+ # Authors: The scikit-learn developers
6
+ # SPDX-License-Identifier: BSD-3-Clause
7
+
8
+ import numpy as np
9
+
10
+ from ._predictor import (
11
+ _compute_partial_dependence,
12
+ _predict_from_binned_data,
13
+ _predict_from_raw_data,
14
+ )
15
+ from .common import PREDICTOR_RECORD_DTYPE, Y_DTYPE
16
+
17
+
18
+ class TreePredictor:
19
+ """Tree class used for predictions.
20
+
21
+ Parameters
22
+ ----------
23
+ nodes : ndarray of PREDICTOR_RECORD_DTYPE
24
+ The nodes of the tree.
25
+ binned_left_cat_bitsets : ndarray of shape (n_categorical_splits, 8), dtype=uint32
26
+ Array of bitsets for binned categories used in predict_binned when a
27
+ split is categorical.
28
+ raw_left_cat_bitsets : ndarray of shape (n_categorical_splits, 8), dtype=uint32
29
+ Array of bitsets for raw categories used in predict when a split is
30
+ categorical.
31
+ """
32
+
33
+ def __init__(self, nodes, binned_left_cat_bitsets, raw_left_cat_bitsets):
34
+ self.nodes = nodes
35
+ self.binned_left_cat_bitsets = binned_left_cat_bitsets
36
+ self.raw_left_cat_bitsets = raw_left_cat_bitsets
37
+
38
+ def get_n_leaf_nodes(self):
39
+ """Return number of leaves."""
40
+ return int(self.nodes["is_leaf"].sum())
41
+
42
+ def get_max_depth(self):
43
+ """Return maximum depth among all leaves."""
44
+ return int(self.nodes["depth"].max())
45
+
46
+ def predict(self, X, known_cat_bitsets, f_idx_map, n_threads):
47
+ """Predict raw values for non-binned data.
48
+
49
+ Parameters
50
+ ----------
51
+ X : ndarray, shape (n_samples, n_features)
52
+ The input samples.
53
+
54
+ known_cat_bitsets : ndarray of shape (n_categorical_features, 8)
55
+ Array of bitsets of known categories, for each categorical feature.
56
+
57
+ f_idx_map : ndarray of shape (n_features,)
58
+ Map from original feature index to the corresponding index in the
59
+ known_cat_bitsets array.
60
+
61
+ n_threads : int
62
+ Number of OpenMP threads to use.
63
+
64
+ Returns
65
+ -------
66
+ y : ndarray, shape (n_samples,)
67
+ The raw predicted values.
68
+ """
69
+ out = np.empty(X.shape[0], dtype=Y_DTYPE)
70
+
71
+ _predict_from_raw_data(
72
+ self.nodes,
73
+ X,
74
+ self.raw_left_cat_bitsets,
75
+ known_cat_bitsets,
76
+ f_idx_map,
77
+ n_threads,
78
+ out,
79
+ )
80
+ return out
81
+
82
+ def predict_binned(self, X, missing_values_bin_idx, n_threads):
83
+ """Predict raw values for binned data.
84
+
85
+ Parameters
86
+ ----------
87
+ X : ndarray, shape (n_samples, n_features)
88
+ The input samples.
89
+ missing_values_bin_idx : uint8
90
+ Index of the bin that is used for missing values. This is the
91
+ index of the last bin and is always equal to max_bins (as passed
92
+ to the GBDT classes), or equivalently to n_bins - 1.
93
+ n_threads : int
94
+ Number of OpenMP threads to use.
95
+
96
+ Returns
97
+ -------
98
+ y : ndarray, shape (n_samples,)
99
+ The raw predicted values.
100
+ """
101
+ out = np.empty(X.shape[0], dtype=Y_DTYPE)
102
+ _predict_from_binned_data(
103
+ self.nodes,
104
+ X,
105
+ self.binned_left_cat_bitsets,
106
+ missing_values_bin_idx,
107
+ n_threads,
108
+ out,
109
+ )
110
+ return out
111
+
112
+ def compute_partial_dependence(self, grid, target_features, out):
113
+ """Fast partial dependence computation.
114
+
115
+ Parameters
116
+ ----------
117
+ grid : ndarray, shape (n_samples, n_target_features)
118
+ The grid points on which the partial dependence should be
119
+ evaluated.
120
+ target_features : ndarray, shape (n_target_features)
121
+ The set of target features for which the partial dependence
122
+ should be evaluated.
123
+ out : ndarray, shape (n_samples)
124
+ The value of the partial dependence function on each grid
125
+ point.
126
+ """
127
+ _compute_partial_dependence(self.nodes, grid, target_features, out)
128
+
129
+ def __setstate__(self, state):
130
+ try:
131
+ super().__setstate__(state)
132
+ except AttributeError:
133
+ self.__dict__.update(state)
134
+
135
+ # The dtype of feature_idx is np.intp which is platform dependent. Here, we
136
+ # make sure that saving and loading on different bitness systems works without
137
+ # errors. For instance, on a 64 bit Python runtime, np.intp = np.int64,
138
+ # while on 32 bit np.intp = np.int32.
139
+ #
140
+ # TODO: consider always using platform agnostic dtypes for fitted
141
+ # estimator attributes. For this particular estimator, this would
142
+ # mean replacing the intp field of PREDICTOR_RECORD_DTYPE by an int32
143
+ # field. Ideally this should be done consistently throughout
144
+ # scikit-learn along with a common test.
145
+ if self.nodes.dtype != PREDICTOR_RECORD_DTYPE:
146
+ self.nodes = self.nodes.astype(PREDICTOR_RECORD_DTYPE, casting="same_kind")
openflamingo/lib/python3.10/site-packages/sklearn/ensemble/_hist_gradient_boosting/splitting.pyx ADDED
@@ -0,0 +1,1191 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ """This module contains routines and data structures to:
2
+
3
+ - Find the best possible split of a node. For a given node, a split is
4
+ characterized by a feature and a bin.
5
+ - Apply a split to a node, i.e. split the indices of the samples at the node
6
+ into the newly created left and right children.
7
+ """
8
+ # Author: Nicolas Hug
9
+
10
+ cimport cython
11
+ from cython.parallel import prange
12
+ import numpy as np
13
+ from libc.math cimport INFINITY, ceil
14
+ from libc.stdlib cimport malloc, free, qsort
15
+ from libc.string cimport memcpy
16
+
17
+ from ...utils._typedefs cimport uint8_t
18
+ from .common cimport X_BINNED_DTYPE_C
19
+ from .common cimport Y_DTYPE_C
20
+ from .common cimport hist_struct
21
+ from .common cimport BITSET_INNER_DTYPE_C
22
+ from .common cimport BITSET_DTYPE_C
23
+ from .common cimport MonotonicConstraint
24
+ from ._bitset cimport init_bitset
25
+ from ._bitset cimport set_bitset
26
+ from ._bitset cimport in_bitset
27
+
28
+
29
+ cdef struct split_info_struct:
30
+ # Same as the SplitInfo class, but we need a C struct to use it in the
31
+ # nogil sections and to use in arrays.
32
+ Y_DTYPE_C gain
33
+ int feature_idx
34
+ unsigned int bin_idx
35
+ uint8_t missing_go_to_left
36
+ Y_DTYPE_C sum_gradient_left
37
+ Y_DTYPE_C sum_gradient_right
38
+ Y_DTYPE_C sum_hessian_left
39
+ Y_DTYPE_C sum_hessian_right
40
+ unsigned int n_samples_left
41
+ unsigned int n_samples_right
42
+ Y_DTYPE_C value_left
43
+ Y_DTYPE_C value_right
44
+ uint8_t is_categorical
45
+ BITSET_DTYPE_C left_cat_bitset
46
+
47
+
48
+ # used in categorical splits for sorting categories by increasing values of
49
+ # sum_gradients / sum_hessians
50
+ cdef struct categorical_info:
51
+ X_BINNED_DTYPE_C bin_idx
52
+ Y_DTYPE_C value
53
+
54
+
55
+ class SplitInfo:
56
+ """Pure data class to store information about a potential split.
57
+
58
+ Parameters
59
+ ----------
60
+ gain : float
61
+ The gain of the split.
62
+ feature_idx : int
63
+ The index of the feature to be split.
64
+ bin_idx : int
65
+ The index of the bin on which the split is made. Should be ignored if
66
+ `is_categorical` is True: `left_cat_bitset` will be used to determine
67
+ the split.
68
+ missing_go_to_left : bool
69
+ Whether missing values should go to the left child. This is used
70
+ whether the split is categorical or not.
71
+ sum_gradient_left : float
72
+ The sum of the gradients of all the samples in the left child.
73
+ sum_hessian_left : float
74
+ The sum of the hessians of all the samples in the left child.
75
+ sum_gradient_right : float
76
+ The sum of the gradients of all the samples in the right child.
77
+ sum_hessian_right : float
78
+ The sum of the hessians of all the samples in the right child.
79
+ n_samples_left : int, default=0
80
+ The number of samples in the left child.
81
+ n_samples_right : int
82
+ The number of samples in the right child.
83
+ is_categorical : bool
84
+ Whether the split is done on a categorical feature.
85
+ left_cat_bitset : ndarray of shape=(8,), dtype=uint32 or None
86
+ Bitset representing the categories that go to the left. This is used
87
+ only when `is_categorical` is True.
88
+ Note that missing values are part of that bitset if there are missing
89
+ values in the training data. For missing values, we rely on that
90
+ bitset for splitting, but at prediction time, we rely on
91
+ missing_go_to_left.
92
+ """
93
+ def __init__(self, gain, feature_idx, bin_idx,
94
+ missing_go_to_left, sum_gradient_left, sum_hessian_left,
95
+ sum_gradient_right, sum_hessian_right, n_samples_left,
96
+ n_samples_right, value_left, value_right,
97
+ is_categorical, left_cat_bitset):
98
+ self.gain = gain
99
+ self.feature_idx = feature_idx
100
+ self.bin_idx = bin_idx
101
+ self.missing_go_to_left = missing_go_to_left
102
+ self.sum_gradient_left = sum_gradient_left
103
+ self.sum_hessian_left = sum_hessian_left
104
+ self.sum_gradient_right = sum_gradient_right
105
+ self.sum_hessian_right = sum_hessian_right
106
+ self.n_samples_left = n_samples_left
107
+ self.n_samples_right = n_samples_right
108
+ self.value_left = value_left
109
+ self.value_right = value_right
110
+ self.is_categorical = is_categorical
111
+ self.left_cat_bitset = left_cat_bitset
112
+
113
+
114
+ @cython.final
115
+ cdef class Splitter:
116
+ """Splitter used to find the best possible split at each node.
117
+
118
+ A split (see SplitInfo) is characterized by a feature and a bin.
119
+
120
+ The Splitter is also responsible for partitioning the samples among the
121
+ leaves of the tree (see split_indices() and the partition attribute).
122
+
123
+ Parameters
124
+ ----------
125
+ X_binned : ndarray of int, shape (n_samples, n_features)
126
+ The binned input samples. Must be Fortran-aligned.
127
+ n_bins_non_missing : ndarray, shape (n_features,)
128
+ For each feature, gives the number of bins actually used for
129
+ non-missing values.
130
+ missing_values_bin_idx : uint8
131
+ Index of the bin that is used for missing values. This is the index of
132
+ the last bin and is always equal to max_bins (as passed to the GBDT
133
+ classes), or equivalently to n_bins - 1.
134
+ has_missing_values : ndarray, shape (n_features,)
135
+ Whether missing values were observed in the training data, for each
136
+ feature.
137
+ is_categorical : ndarray of bool of shape (n_features,)
138
+ Indicates categorical features.
139
+ monotonic_cst : ndarray of int of shape (n_features,), dtype=int
140
+ Indicates the monotonic constraint to enforce on each feature.
141
+ - 1: monotonic increase
142
+ - 0: no constraint
143
+ - -1: monotonic decrease
144
+
145
+ Read more in the :ref:`User Guide <monotonic_cst_gbdt>`.
146
+ l2_regularization : float
147
+ The L2 regularization parameter.
148
+ min_hessian_to_split : float, default=1e-3
149
+ The minimum sum of hessians needed in each node. Splits that result in
150
+ at least one child having a sum of hessians less than
151
+ min_hessian_to_split are discarded.
152
+ min_samples_leaf : int, default=20
153
+ The minimum number of samples per leaf.
154
+ min_gain_to_split : float, default=0.0
155
+ The minimum gain needed to split a node. Splits with lower gain will
156
+ be ignored.
157
+ hessians_are_constant: bool, default is False
158
+ Whether hessians are constant.
159
+ feature_fraction_per_split : float, default=1
160
+ Proportion of randomly chosen features in each and every node split.
161
+ This is a form of regularization, smaller values make the trees weaker
162
+ learners and might prevent overfitting.
163
+ rng : Generator
164
+ n_threads : int, default=1
165
+ Number of OpenMP threads to use.
166
+ """
167
+ cdef public:
168
+ const X_BINNED_DTYPE_C [::1, :] X_binned
169
+ unsigned int n_features
170
+ const unsigned int [::1] n_bins_non_missing
171
+ uint8_t missing_values_bin_idx
172
+ const uint8_t [::1] has_missing_values
173
+ const uint8_t [::1] is_categorical
174
+ const signed char [::1] monotonic_cst
175
+ uint8_t hessians_are_constant
176
+ Y_DTYPE_C l2_regularization
177
+ Y_DTYPE_C min_hessian_to_split
178
+ unsigned int min_samples_leaf
179
+ Y_DTYPE_C min_gain_to_split
180
+ Y_DTYPE_C feature_fraction_per_split
181
+ rng
182
+
183
+ unsigned int [::1] partition
184
+ unsigned int [::1] left_indices_buffer
185
+ unsigned int [::1] right_indices_buffer
186
+ int n_threads
187
+
188
+ def __init__(self,
189
+ const X_BINNED_DTYPE_C [::1, :] X_binned,
190
+ const unsigned int [::1] n_bins_non_missing,
191
+ const uint8_t missing_values_bin_idx,
192
+ const uint8_t [::1] has_missing_values,
193
+ const uint8_t [::1] is_categorical,
194
+ const signed char [::1] monotonic_cst,
195
+ Y_DTYPE_C l2_regularization,
196
+ Y_DTYPE_C min_hessian_to_split=1e-3,
197
+ unsigned int min_samples_leaf=20,
198
+ Y_DTYPE_C min_gain_to_split=0.,
199
+ uint8_t hessians_are_constant=False,
200
+ Y_DTYPE_C feature_fraction_per_split=1.0,
201
+ rng=np.random.RandomState(),
202
+ unsigned int n_threads=1):
203
+
204
+ self.X_binned = X_binned
205
+ self.n_features = X_binned.shape[1]
206
+ self.n_bins_non_missing = n_bins_non_missing
207
+ self.missing_values_bin_idx = missing_values_bin_idx
208
+ self.has_missing_values = has_missing_values
209
+ self.is_categorical = is_categorical
210
+ self.monotonic_cst = monotonic_cst
211
+ self.l2_regularization = l2_regularization
212
+ self.min_hessian_to_split = min_hessian_to_split
213
+ self.min_samples_leaf = min_samples_leaf
214
+ self.min_gain_to_split = min_gain_to_split
215
+ self.hessians_are_constant = hessians_are_constant
216
+ self.feature_fraction_per_split = feature_fraction_per_split
217
+ self.rng = rng
218
+ self.n_threads = n_threads
219
+
220
+ # The partition array maps each sample index into the leaves of the
221
+ # tree (a leaf in this context is a node that isn't split yet, not
222
+ # necessarily a 'finalized' leaf). Initially, the root contains all
223
+ # the indices, e.g.:
224
+ # partition = [abcdefghijkl]
225
+ # After a call to split_indices, it may look e.g. like this:
226
+ # partition = [cef|abdghijkl]
227
+ # we have 2 leaves, the left one is at position 0 and the second one at
228
+ # position 3. The order of the samples is irrelevant.
229
+ self.partition = np.arange(X_binned.shape[0], dtype=np.uint32)
230
+ # buffers used in split_indices to support parallel splitting.
231
+ self.left_indices_buffer = np.empty_like(self.partition)
232
+ self.right_indices_buffer = np.empty_like(self.partition)
233
+
234
+ def split_indices(Splitter self, split_info, unsigned int [::1]
235
+ sample_indices):
236
+ """Split samples into left and right arrays.
237
+
238
+ The split is performed according to the best possible split
239
+ (split_info).
240
+
241
+ Ultimately, this is nothing but a partition of the sample_indices
242
+ array with a given pivot, exactly like a quicksort subroutine.
243
+
244
+ Parameters
245
+ ----------
246
+ split_info : SplitInfo
247
+ The SplitInfo of the node to split.
248
+ sample_indices : ndarray of unsigned int, shape (n_samples_at_node,)
249
+ The indices of the samples at the node to split. This is a view
250
+ on self.partition, and it is modified inplace by placing the
251
+ indices of the left child at the beginning, and the indices of
252
+ the right child at the end.
253
+
254
+ Returns
255
+ -------
256
+ left_indices : ndarray of int, shape (n_left_samples,)
257
+ The indices of the samples in the left child. This is a view on
258
+ self.partition.
259
+ right_indices : ndarray of int, shape (n_right_samples,)
260
+ The indices of the samples in the right child. This is a view on
261
+ self.partition.
262
+ right_child_position : int
263
+ The position of the right child in ``sample_indices``.
264
+ """
265
+ # This is a multi-threaded implementation inspired by lightgbm. Here
266
+ # is a quick break down. Let's suppose we want to split a node with 24
267
+ # samples named from a to x. self.partition looks like this (the * are
268
+ # indices in other leaves that we don't care about):
269
+ # partition = [*************abcdefghijklmnopqrstuvwx****************]
270
+ # ^ ^
271
+ # node_position node_position + node.n_samples
272
+
273
+ # Ultimately, we want to reorder the samples inside the boundaries of
274
+ # the leaf (which becomes a node) to now represent the samples in its
275
+ # left and right child. For example:
276
+ # partition = [*************abefilmnopqrtuxcdghjksvw*****************]
277
+ # ^ ^
278
+ # left_child_pos right_child_pos
279
+ # Note that left_child_pos always takes the value of node_position,
280
+ # and right_child_pos = left_child_pos + left_child.n_samples. The
281
+ # order of the samples inside a leaf is irrelevant.
282
+
283
+ # 1. sample_indices is a view on this region a..x. We conceptually
284
+ # divide it into n_threads regions. Each thread will be responsible
285
+ # for its own region. Here is an example with 4 threads:
286
+ # sample_indices = [abcdef|ghijkl|mnopqr|stuvwx]
287
+ # 2. Each thread processes 6 = 24 // 4 entries and maps them into
288
+ # left_indices_buffer or right_indices_buffer. For example, we could
289
+ # have the following mapping ('.' denotes an undefined entry):
290
+ # - left_indices_buffer = [abef..|il....|mnopqr|tux...]
291
+ # - right_indices_buffer = [cd....|ghjk..|......|svw...]
292
+ # 3. We keep track of the start positions of the regions (the '|') in
293
+ # ``offset_in_buffers`` as well as the size of each region. We also
294
+ # keep track of the number of samples put into the left/right child
295
+ # by each thread. Concretely:
296
+ # - left_counts = [4, 2, 6, 3]
297
+ # - right_counts = [2, 4, 0, 3]
298
+ # 4. Finally, we put left/right_indices_buffer back into the
299
+ # sample_indices, without any undefined entries and the partition
300
+ # looks as expected
301
+ # partition = [*************abefilmnopqrtuxcdghjksvw***************]
302
+
303
+ # Note: We here show left/right_indices_buffer as being the same size
304
+ # as sample_indices for simplicity, but in reality they are of the
305
+ # same size as partition.
306
+
307
+ cdef:
308
+ int n_samples = sample_indices.shape[0]
309
+ X_BINNED_DTYPE_C bin_idx = split_info.bin_idx
310
+ uint8_t missing_go_to_left = split_info.missing_go_to_left
311
+ uint8_t missing_values_bin_idx = self.missing_values_bin_idx
312
+ int feature_idx = split_info.feature_idx
313
+ const X_BINNED_DTYPE_C [::1] X_binned = \
314
+ self.X_binned[:, feature_idx]
315
+ unsigned int [::1] left_indices_buffer = self.left_indices_buffer
316
+ unsigned int [::1] right_indices_buffer = self.right_indices_buffer
317
+ uint8_t is_categorical = split_info.is_categorical
318
+ # Cython is unhappy if we set left_cat_bitset to
319
+ # split_info.left_cat_bitset directly, so we need a tmp var
320
+ BITSET_INNER_DTYPE_C [:] cat_bitset_tmp = split_info.left_cat_bitset
321
+ BITSET_DTYPE_C left_cat_bitset
322
+ int n_threads = self.n_threads
323
+
324
+ int [:] sizes = np.full(n_threads, n_samples // n_threads,
325
+ dtype=np.int32)
326
+ int [:] offset_in_buffers = np.zeros(n_threads, dtype=np.int32)
327
+ int [:] left_counts = np.empty(n_threads, dtype=np.int32)
328
+ int [:] right_counts = np.empty(n_threads, dtype=np.int32)
329
+ int left_count
330
+ int right_count
331
+ int start
332
+ int stop
333
+ int i
334
+ int thread_idx
335
+ int sample_idx
336
+ int right_child_position
337
+ uint8_t turn_left
338
+ int [:] left_offset = np.zeros(n_threads, dtype=np.int32)
339
+ int [:] right_offset = np.zeros(n_threads, dtype=np.int32)
340
+
341
+ # only set left_cat_bitset when is_categorical is True
342
+ if is_categorical:
343
+ left_cat_bitset = &cat_bitset_tmp[0]
344
+
345
+ with nogil:
346
+ for thread_idx in range(n_samples % n_threads):
347
+ sizes[thread_idx] += 1
348
+
349
+ for thread_idx in range(1, n_threads):
350
+ offset_in_buffers[thread_idx] = \
351
+ offset_in_buffers[thread_idx - 1] + sizes[thread_idx - 1]
352
+
353
+ # map indices from sample_indices to left/right_indices_buffer
354
+ for thread_idx in prange(n_threads, schedule='static',
355
+ chunksize=1, num_threads=n_threads):
356
+ left_count = 0
357
+ right_count = 0
358
+
359
+ start = offset_in_buffers[thread_idx]
360
+ stop = start + sizes[thread_idx]
361
+ for i in range(start, stop):
362
+ sample_idx = sample_indices[i]
363
+ turn_left = sample_goes_left(
364
+ missing_go_to_left,
365
+ missing_values_bin_idx, bin_idx,
366
+ X_binned[sample_idx], is_categorical,
367
+ left_cat_bitset)
368
+
369
+ if turn_left:
370
+ left_indices_buffer[start + left_count] = sample_idx
371
+ left_count = left_count + 1
372
+ else:
373
+ right_indices_buffer[start + right_count] = sample_idx
374
+ right_count = right_count + 1
375
+
376
+ left_counts[thread_idx] = left_count
377
+ right_counts[thread_idx] = right_count
378
+
379
+ # position of right child = just after the left child
380
+ right_child_position = 0
381
+ for thread_idx in range(n_threads):
382
+ right_child_position += left_counts[thread_idx]
383
+
384
+ # offset of each thread in sample_indices for left and right
385
+ # child, i.e. where each thread will start to write.
386
+ right_offset[0] = right_child_position
387
+ for thread_idx in range(1, n_threads):
388
+ left_offset[thread_idx] = \
389
+ left_offset[thread_idx - 1] + left_counts[thread_idx - 1]
390
+ right_offset[thread_idx] = \
391
+ right_offset[thread_idx - 1] + right_counts[thread_idx - 1]
392
+
393
+ # map indices in left/right_indices_buffer back into
394
+ # sample_indices. This also updates self.partition since
395
+ # sample_indices is a view.
396
+ for thread_idx in prange(n_threads, schedule='static',
397
+ chunksize=1, num_threads=n_threads):
398
+ memcpy(
399
+ &sample_indices[left_offset[thread_idx]],
400
+ &left_indices_buffer[offset_in_buffers[thread_idx]],
401
+ sizeof(unsigned int) * left_counts[thread_idx]
402
+ )
403
+ if right_counts[thread_idx] > 0:
404
+ # If we're splitting the rightmost node of the tree, i.e. the
405
+ # rightmost node in the partition array, and if n_threads >= 2, one
406
+ # might have right_counts[-1] = 0 and right_offset[-1] = len(sample_indices)
407
+ # leading to evaluating
408
+ #
409
+ # &sample_indices[right_offset[-1]] = &samples_indices[n_samples_at_node]
410
+ # = &partition[n_samples_in_tree]
411
+ #
412
+ # which is an out-of-bounds read access that can cause a segmentation fault.
413
+ # When boundscheck=True, removing this check produces this exception:
414
+ #
415
+ # IndexError: Out of bounds on buffer access
416
+ #
417
+ memcpy(
418
+ &sample_indices[right_offset[thread_idx]],
419
+ &right_indices_buffer[offset_in_buffers[thread_idx]],
420
+ sizeof(unsigned int) * right_counts[thread_idx]
421
+ )
422
+
423
+ return (sample_indices[:right_child_position],
424
+ sample_indices[right_child_position:],
425
+ right_child_position)
426
+
427
+ def find_node_split(
428
+ Splitter self,
429
+ unsigned int n_samples,
430
+ hist_struct [:, ::1] histograms, # IN
431
+ const Y_DTYPE_C sum_gradients,
432
+ const Y_DTYPE_C sum_hessians,
433
+ const Y_DTYPE_C value,
434
+ const Y_DTYPE_C lower_bound=-INFINITY,
435
+ const Y_DTYPE_C upper_bound=INFINITY,
436
+ const unsigned int [:] allowed_features=None,
437
+ ):
438
+ """For each feature, find the best bin to split on at a given node.
439
+
440
+ Return the best split info among all features.
441
+
442
+ Parameters
443
+ ----------
444
+ n_samples : int
445
+ The number of samples at the node.
446
+ histograms : ndarray of HISTOGRAM_DTYPE of \
447
+ shape (n_features, max_bins)
448
+ The histograms of the current node.
449
+ sum_gradients : float
450
+ The sum of the gradients for each sample at the node.
451
+ sum_hessians : float
452
+ The sum of the hessians for each sample at the node.
453
+ value : float
454
+ The bounded value of the current node. We directly pass the value
455
+ instead of re-computing it from sum_gradients and sum_hessians,
456
+ because we need to compute the loss and the gain based on the
457
+ *bounded* value: computing the value from
458
+ sum_gradients / sum_hessians would give the unbounded value, and
459
+ the interaction with min_gain_to_split would not be correct
460
+ anymore. Side note: we can't use the lower_bound / upper_bound
461
+ parameters either because these refer to the bounds of the
462
+ children, not the bounds of the current node.
463
+ lower_bound : float
464
+ Lower bound for the children values for respecting the monotonic
465
+ constraints.
466
+ upper_bound : float
467
+ Upper bound for the children values for respecting the monotonic
468
+ constraints.
469
+ allowed_features : None or ndarray, dtype=np.uint32
470
+ Indices of the features that are allowed by interaction constraints to be
471
+ split.
472
+
473
+ Returns
474
+ -------
475
+ best_split_info : SplitInfo
476
+ The info about the best possible split among all features.
477
+ """
478
+ cdef:
479
+ int feature_idx
480
+ int split_info_idx
481
+ int best_split_info_idx
482
+ int n_allowed_features
483
+ split_info_struct split_info
484
+ split_info_struct * split_infos
485
+ const uint8_t [::1] has_missing_values = self.has_missing_values
486
+ const uint8_t [::1] is_categorical = self.is_categorical
487
+ const signed char [::1] monotonic_cst = self.monotonic_cst
488
+ int n_threads = self.n_threads
489
+ bint has_interaction_cst = False
490
+ Y_DTYPE_C feature_fraction_per_split = self.feature_fraction_per_split
491
+ uint8_t [:] subsample_mask # same as npy_bool
492
+ int n_subsampled_features
493
+
494
+ has_interaction_cst = allowed_features is not None
495
+ if has_interaction_cst:
496
+ n_allowed_features = allowed_features.shape[0]
497
+ else:
498
+ n_allowed_features = self.n_features
499
+
500
+ if feature_fraction_per_split < 1.0:
501
+ # We do all random sampling before the nogil and make sure that we sample
502
+ # exactly n_subsampled_features >= 1 features.
503
+ n_subsampled_features = max(
504
+ 1,
505
+ int(ceil(feature_fraction_per_split * n_allowed_features)),
506
+ )
507
+ subsample_mask_arr = np.full(n_allowed_features, False)
508
+ subsample_mask_arr[:n_subsampled_features] = True
509
+ self.rng.shuffle(subsample_mask_arr)
510
+ # https://github.com/numpy/numpy/issues/18273
511
+ subsample_mask = subsample_mask_arr
512
+
513
+ with nogil:
514
+
515
+ split_infos = <split_info_struct *> malloc(
516
+ n_allowed_features * sizeof(split_info_struct))
517
+
518
+ # split_info_idx is index of split_infos of size n_allowed_features.
519
+ # features_idx is the index of the feature column in X.
520
+ for split_info_idx in prange(n_allowed_features, schedule='static',
521
+ num_threads=n_threads):
522
+ if has_interaction_cst:
523
+ feature_idx = allowed_features[split_info_idx]
524
+ else:
525
+ feature_idx = split_info_idx
526
+
527
+ split_infos[split_info_idx].feature_idx = feature_idx
528
+
529
+ # For each feature, find best bin to split on
530
+ # Start with a gain of -1 if no better split is found, that
531
+ # means one of the constraints isn't respected
532
+ # (min_samples_leaf, etc.) and the grower will later turn the
533
+ # node into a leaf.
534
+ split_infos[split_info_idx].gain = -1
535
+ split_infos[split_info_idx].is_categorical = is_categorical[feature_idx]
536
+
537
+ # Note that subsample_mask is indexed by split_info_idx and not by
538
+ # feature_idx because we only need to exclude the same features again
539
+ # and again. We do NOT need to access the features directly by using
540
+ # allowed_features.
541
+ if feature_fraction_per_split < 1.0 and not subsample_mask[split_info_idx]:
542
+ continue
543
+
544
+ if is_categorical[feature_idx]:
545
+ self._find_best_bin_to_split_category(
546
+ feature_idx, has_missing_values[feature_idx],
547
+ histograms, n_samples, sum_gradients, sum_hessians,
548
+ value, monotonic_cst[feature_idx], lower_bound,
549
+ upper_bound, &split_infos[split_info_idx])
550
+ else:
551
+ # We will scan bins from left to right (in all cases), and
552
+ # if there are any missing values, we will also scan bins
553
+ # from right to left. This way, we can consider whichever
554
+ # case yields the best gain: either missing values go to
555
+ # the right (left to right scan) or to the left (right to
556
+ # left case). See algo 3 from the XGBoost paper
557
+ # https://arxiv.org/abs/1603.02754
558
+ # Note: for the categorical features above, this isn't
559
+ # needed since missing values are considered a native
560
+ # category.
561
+ self._find_best_bin_to_split_left_to_right(
562
+ feature_idx, has_missing_values[feature_idx],
563
+ histograms, n_samples, sum_gradients, sum_hessians,
564
+ value, monotonic_cst[feature_idx],
565
+ lower_bound, upper_bound, &split_infos[split_info_idx])
566
+
567
+ if has_missing_values[feature_idx]:
568
+ # We need to explore both directions to check whether
569
+ # sending the nans to the left child would lead to a higher
570
+ # gain
571
+ self._find_best_bin_to_split_right_to_left(
572
+ feature_idx, histograms, n_samples,
573
+ sum_gradients, sum_hessians,
574
+ value, monotonic_cst[feature_idx],
575
+ lower_bound, upper_bound, &split_infos[split_info_idx])
576
+
577
+ # then compute best possible split among all features
578
+ # split_info is set to the best of split_infos
579
+ best_split_info_idx = self._find_best_feature_to_split_helper(
580
+ split_infos, n_allowed_features
581
+ )
582
+ split_info = split_infos[best_split_info_idx]
583
+
584
+ out = SplitInfo(
585
+ split_info.gain,
586
+ split_info.feature_idx,
587
+ split_info.bin_idx,
588
+ split_info.missing_go_to_left,
589
+ split_info.sum_gradient_left,
590
+ split_info.sum_hessian_left,
591
+ split_info.sum_gradient_right,
592
+ split_info.sum_hessian_right,
593
+ split_info.n_samples_left,
594
+ split_info.n_samples_right,
595
+ split_info.value_left,
596
+ split_info.value_right,
597
+ split_info.is_categorical,
598
+ None, # left_cat_bitset will only be set if the split is categorical
599
+ )
600
+ # Only set bitset if the split is categorical
601
+ if split_info.is_categorical:
602
+ out.left_cat_bitset = np.asarray(split_info.left_cat_bitset, dtype=np.uint32)
603
+
604
+ free(split_infos)
605
+ return out
606
+
607
+ cdef int _find_best_feature_to_split_helper(
608
+ self,
609
+ split_info_struct * split_infos, # IN
610
+ int n_allowed_features,
611
+ ) noexcept nogil:
612
+ """Return the index of split_infos with the best feature split."""
613
+ cdef:
614
+ int split_info_idx
615
+ int best_split_info_idx = 0
616
+
617
+ for split_info_idx in range(1, n_allowed_features):
618
+ if (split_infos[split_info_idx].gain > split_infos[best_split_info_idx].gain):
619
+ best_split_info_idx = split_info_idx
620
+ return best_split_info_idx
621
+
622
+ cdef void _find_best_bin_to_split_left_to_right(
623
+ Splitter self,
624
+ unsigned int feature_idx,
625
+ uint8_t has_missing_values,
626
+ const hist_struct [:, ::1] histograms, # IN
627
+ unsigned int n_samples,
628
+ Y_DTYPE_C sum_gradients,
629
+ Y_DTYPE_C sum_hessians,
630
+ Y_DTYPE_C value,
631
+ signed char monotonic_cst,
632
+ Y_DTYPE_C lower_bound,
633
+ Y_DTYPE_C upper_bound,
634
+ split_info_struct * split_info) noexcept nogil: # OUT
635
+ """Find best bin to split on for a given feature.
636
+
637
+ Splits that do not satisfy the splitting constraints
638
+ (min_gain_to_split, etc.) are discarded here.
639
+
640
+ We scan node from left to right. This version is called whether there
641
+ are missing values or not. If any, missing values are assigned to the
642
+ right node.
643
+ """
644
+ cdef:
645
+ unsigned int bin_idx
646
+ unsigned int n_samples_left
647
+ unsigned int n_samples_right
648
+ unsigned int n_samples_ = n_samples
649
+ # We set the 'end' variable such that the last non-missing-values
650
+ # bin never goes to the left child (which would result in and
651
+ # empty right child), unless there are missing values, since these
652
+ # would go to the right child.
653
+ unsigned int end = \
654
+ self.n_bins_non_missing[feature_idx] - 1 + has_missing_values
655
+ Y_DTYPE_C sum_hessian_left
656
+ Y_DTYPE_C sum_hessian_right
657
+ Y_DTYPE_C sum_gradient_left
658
+ Y_DTYPE_C sum_gradient_right
659
+ Y_DTYPE_C loss_current_node
660
+ Y_DTYPE_C gain
661
+ uint8_t found_better_split = False
662
+
663
+ Y_DTYPE_C best_sum_hessian_left
664
+ Y_DTYPE_C best_sum_gradient_left
665
+ unsigned int best_bin_idx
666
+ unsigned int best_n_samples_left
667
+ Y_DTYPE_C best_gain = -1
668
+
669
+ sum_gradient_left, sum_hessian_left = 0., 0.
670
+ n_samples_left = 0
671
+
672
+ loss_current_node = _loss_from_value(value, sum_gradients)
673
+
674
+ for bin_idx in range(end):
675
+ n_samples_left += histograms[feature_idx, bin_idx].count
676
+ n_samples_right = n_samples_ - n_samples_left
677
+
678
+ if self.hessians_are_constant:
679
+ sum_hessian_left += histograms[feature_idx, bin_idx].count
680
+ else:
681
+ sum_hessian_left += \
682
+ histograms[feature_idx, bin_idx].sum_hessians
683
+ sum_hessian_right = sum_hessians - sum_hessian_left
684
+
685
+ sum_gradient_left += histograms[feature_idx, bin_idx].sum_gradients
686
+ sum_gradient_right = sum_gradients - sum_gradient_left
687
+
688
+ if n_samples_left < self.min_samples_leaf:
689
+ continue
690
+ if n_samples_right < self.min_samples_leaf:
691
+ # won't get any better
692
+ break
693
+
694
+ if sum_hessian_left < self.min_hessian_to_split:
695
+ continue
696
+ if sum_hessian_right < self.min_hessian_to_split:
697
+ # won't get any better (hessians are > 0 since loss is convex)
698
+ break
699
+
700
+ gain = _split_gain(sum_gradient_left, sum_hessian_left,
701
+ sum_gradient_right, sum_hessian_right,
702
+ loss_current_node,
703
+ monotonic_cst,
704
+ lower_bound,
705
+ upper_bound,
706
+ self.l2_regularization)
707
+
708
+ if gain > best_gain and gain > self.min_gain_to_split:
709
+ found_better_split = True
710
+ best_gain = gain
711
+ best_bin_idx = bin_idx
712
+ best_sum_gradient_left = sum_gradient_left
713
+ best_sum_hessian_left = sum_hessian_left
714
+ best_n_samples_left = n_samples_left
715
+
716
+ if found_better_split:
717
+ split_info.gain = best_gain
718
+ split_info.bin_idx = best_bin_idx
719
+ # we scan from left to right so missing values go to the right
720
+ split_info.missing_go_to_left = False
721
+ split_info.sum_gradient_left = best_sum_gradient_left
722
+ split_info.sum_gradient_right = sum_gradients - best_sum_gradient_left
723
+ split_info.sum_hessian_left = best_sum_hessian_left
724
+ split_info.sum_hessian_right = sum_hessians - best_sum_hessian_left
725
+ split_info.n_samples_left = best_n_samples_left
726
+ split_info.n_samples_right = n_samples - best_n_samples_left
727
+
728
+ # We recompute best values here but it's cheap
729
+ split_info.value_left = compute_node_value(
730
+ split_info.sum_gradient_left, split_info.sum_hessian_left,
731
+ lower_bound, upper_bound, self.l2_regularization)
732
+
733
+ split_info.value_right = compute_node_value(
734
+ split_info.sum_gradient_right, split_info.sum_hessian_right,
735
+ lower_bound, upper_bound, self.l2_regularization)
736
+
737
+ cdef void _find_best_bin_to_split_right_to_left(
738
+ self,
739
+ unsigned int feature_idx,
740
+ const hist_struct [:, ::1] histograms, # IN
741
+ unsigned int n_samples,
742
+ Y_DTYPE_C sum_gradients,
743
+ Y_DTYPE_C sum_hessians,
744
+ Y_DTYPE_C value,
745
+ signed char monotonic_cst,
746
+ Y_DTYPE_C lower_bound,
747
+ Y_DTYPE_C upper_bound,
748
+ split_info_struct * split_info) noexcept nogil: # OUT
749
+ """Find best bin to split on for a given feature.
750
+
751
+ Splits that do not satisfy the splitting constraints
752
+ (min_gain_to_split, etc.) are discarded here.
753
+
754
+ We scan node from right to left. This version is only called when
755
+ there are missing values. Missing values are assigned to the left
756
+ child.
757
+
758
+ If no missing value are present in the data this method isn't called
759
+ since only calling _find_best_bin_to_split_left_to_right is enough.
760
+ """
761
+
762
+ cdef:
763
+ unsigned int bin_idx
764
+ unsigned int n_samples_left
765
+ unsigned int n_samples_right
766
+ unsigned int n_samples_ = n_samples
767
+ Y_DTYPE_C sum_hessian_left
768
+ Y_DTYPE_C sum_hessian_right
769
+ Y_DTYPE_C sum_gradient_left
770
+ Y_DTYPE_C sum_gradient_right
771
+ Y_DTYPE_C loss_current_node
772
+ Y_DTYPE_C gain
773
+ unsigned int start = self.n_bins_non_missing[feature_idx] - 2
774
+ uint8_t found_better_split = False
775
+
776
+ Y_DTYPE_C best_sum_hessian_left
777
+ Y_DTYPE_C best_sum_gradient_left
778
+ unsigned int best_bin_idx
779
+ unsigned int best_n_samples_left
780
+ Y_DTYPE_C best_gain = split_info.gain # computed during previous scan
781
+
782
+ sum_gradient_right, sum_hessian_right = 0., 0.
783
+ n_samples_right = 0
784
+
785
+ loss_current_node = _loss_from_value(value, sum_gradients)
786
+
787
+ for bin_idx in range(start, -1, -1):
788
+ n_samples_right += histograms[feature_idx, bin_idx + 1].count
789
+ n_samples_left = n_samples_ - n_samples_right
790
+
791
+ if self.hessians_are_constant:
792
+ sum_hessian_right += histograms[feature_idx, bin_idx + 1].count
793
+ else:
794
+ sum_hessian_right += \
795
+ histograms[feature_idx, bin_idx + 1].sum_hessians
796
+ sum_hessian_left = sum_hessians - sum_hessian_right
797
+
798
+ sum_gradient_right += \
799
+ histograms[feature_idx, bin_idx + 1].sum_gradients
800
+ sum_gradient_left = sum_gradients - sum_gradient_right
801
+
802
+ if n_samples_right < self.min_samples_leaf:
803
+ continue
804
+ if n_samples_left < self.min_samples_leaf:
805
+ # won't get any better
806
+ break
807
+
808
+ if sum_hessian_right < self.min_hessian_to_split:
809
+ continue
810
+ if sum_hessian_left < self.min_hessian_to_split:
811
+ # won't get any better (hessians are > 0 since loss is convex)
812
+ break
813
+
814
+ gain = _split_gain(sum_gradient_left, sum_hessian_left,
815
+ sum_gradient_right, sum_hessian_right,
816
+ loss_current_node,
817
+ monotonic_cst,
818
+ lower_bound,
819
+ upper_bound,
820
+ self.l2_regularization)
821
+
822
+ if gain > best_gain and gain > self.min_gain_to_split:
823
+ found_better_split = True
824
+ best_gain = gain
825
+ best_bin_idx = bin_idx
826
+ best_sum_gradient_left = sum_gradient_left
827
+ best_sum_hessian_left = sum_hessian_left
828
+ best_n_samples_left = n_samples_left
829
+
830
+ if found_better_split:
831
+ split_info.gain = best_gain
832
+ split_info.bin_idx = best_bin_idx
833
+ # we scan from right to left so missing values go to the left
834
+ split_info.missing_go_to_left = True
835
+ split_info.sum_gradient_left = best_sum_gradient_left
836
+ split_info.sum_gradient_right = sum_gradients - best_sum_gradient_left
837
+ split_info.sum_hessian_left = best_sum_hessian_left
838
+ split_info.sum_hessian_right = sum_hessians - best_sum_hessian_left
839
+ split_info.n_samples_left = best_n_samples_left
840
+ split_info.n_samples_right = n_samples - best_n_samples_left
841
+
842
+ # We recompute best values here but it's cheap
843
+ split_info.value_left = compute_node_value(
844
+ split_info.sum_gradient_left, split_info.sum_hessian_left,
845
+ lower_bound, upper_bound, self.l2_regularization)
846
+
847
+ split_info.value_right = compute_node_value(
848
+ split_info.sum_gradient_right, split_info.sum_hessian_right,
849
+ lower_bound, upper_bound, self.l2_regularization)
850
+
851
+ cdef void _find_best_bin_to_split_category(
852
+ self,
853
+ unsigned int feature_idx,
854
+ uint8_t has_missing_values,
855
+ const hist_struct [:, ::1] histograms, # IN
856
+ unsigned int n_samples,
857
+ Y_DTYPE_C sum_gradients,
858
+ Y_DTYPE_C sum_hessians,
859
+ Y_DTYPE_C value,
860
+ char monotonic_cst,
861
+ Y_DTYPE_C lower_bound,
862
+ Y_DTYPE_C upper_bound,
863
+ split_info_struct * split_info) noexcept nogil: # OUT
864
+ """Find best split for categorical features.
865
+
866
+ Categories are first sorted according to their variance, and then
867
+ a scan is performed as if categories were ordered quantities.
868
+
869
+ Ref: "On Grouping for Maximum Homogeneity", Walter D. Fisher
870
+ """
871
+
872
+ cdef:
873
+ unsigned int bin_idx
874
+ unsigned int n_bins_non_missing = self.n_bins_non_missing[feature_idx]
875
+ unsigned int missing_values_bin_idx = self.missing_values_bin_idx
876
+ categorical_info * cat_infos
877
+ unsigned int sorted_cat_idx
878
+ unsigned int n_used_bins = 0
879
+ int [2] scan_direction
880
+ int direction = 0
881
+ int best_direction = 0
882
+ unsigned int middle
883
+ unsigned int i
884
+ const hist_struct[::1] feature_hist = histograms[feature_idx, :]
885
+ Y_DTYPE_C sum_gradients_bin
886
+ Y_DTYPE_C sum_hessians_bin
887
+ Y_DTYPE_C loss_current_node
888
+ Y_DTYPE_C sum_gradient_left, sum_hessian_left
889
+ Y_DTYPE_C sum_gradient_right, sum_hessian_right
890
+ unsigned int n_samples_left, n_samples_right
891
+ Y_DTYPE_C gain
892
+ Y_DTYPE_C best_gain = -1.0
893
+ uint8_t found_better_split = False
894
+ Y_DTYPE_C best_sum_hessian_left
895
+ Y_DTYPE_C best_sum_gradient_left
896
+ unsigned int best_n_samples_left
897
+ unsigned int best_cat_infos_thresh
898
+ # Reduces the effect of noises in categorical features,
899
+ # especially for categories with few data. Called cat_smooth in
900
+ # LightGBM. TODO: Make this user adjustable?
901
+ Y_DTYPE_C MIN_CAT_SUPPORT = 10.
902
+ # this is equal to 1 for losses where hessians are constant
903
+ Y_DTYPE_C support_factor = n_samples / sum_hessians
904
+
905
+ # Details on the split finding:
906
+ # We first order categories by their sum_gradients / sum_hessians
907
+ # values, and we exclude categories that don't respect MIN_CAT_SUPPORT
908
+ # from this sorted array. Missing values are treated just like any
909
+ # other category. The low-support categories will always be mapped to
910
+ # the right child. We scan the sorted categories array from left to
911
+ # right and from right to left, and we stop at the middle.
912
+
913
+ # Considering ordered categories A B C D, with E being a low-support
914
+ # category: A B C D
915
+ # ^
916
+ # midpoint
917
+ # The scans will consider the following split-points:
918
+ # * left to right:
919
+ # A - B C D E
920
+ # A B - C D E
921
+ # * right to left:
922
+ # D - A B C E
923
+ # C D - A B E
924
+
925
+ # Note that since we stop at the middle and since low-support
926
+ # categories (E) are always mapped to the right, the following splits
927
+ # aren't considered:
928
+ # A E - B C D
929
+ # D E - A B C
930
+ # Basically, we're forcing E to always be mapped to the child that has
931
+ # *at least half of the categories* (and this child is always the right
932
+ # child, by convention).
933
+
934
+ # Also note that if we scanned in only one direction (e.g. left to
935
+ # right), we would only consider the following splits:
936
+ # A - B C D E
937
+ # A B - C D E
938
+ # A B C - D E
939
+ # and thus we would be missing on D - A B C E and on C D - A B E
940
+
941
+ cat_infos = <categorical_info *> malloc(
942
+ (n_bins_non_missing + has_missing_values) * sizeof(categorical_info))
943
+
944
+ # fill cat_infos while filtering out categories based on MIN_CAT_SUPPORT
945
+ for bin_idx in range(n_bins_non_missing):
946
+ if self.hessians_are_constant:
947
+ sum_hessians_bin = feature_hist[bin_idx].count
948
+ else:
949
+ sum_hessians_bin = feature_hist[bin_idx].sum_hessians
950
+ if sum_hessians_bin * support_factor >= MIN_CAT_SUPPORT:
951
+ cat_infos[n_used_bins].bin_idx = bin_idx
952
+ sum_gradients_bin = feature_hist[bin_idx].sum_gradients
953
+
954
+ cat_infos[n_used_bins].value = (
955
+ sum_gradients_bin / (sum_hessians_bin + MIN_CAT_SUPPORT)
956
+ )
957
+ n_used_bins += 1
958
+
959
+ # Also add missing values bin so that nans are considered as a category
960
+ if has_missing_values:
961
+ if self.hessians_are_constant:
962
+ sum_hessians_bin = feature_hist[missing_values_bin_idx].count
963
+ else:
964
+ sum_hessians_bin = feature_hist[missing_values_bin_idx].sum_hessians
965
+ if sum_hessians_bin * support_factor >= MIN_CAT_SUPPORT:
966
+ cat_infos[n_used_bins].bin_idx = missing_values_bin_idx
967
+ sum_gradients_bin = (
968
+ feature_hist[missing_values_bin_idx].sum_gradients
969
+ )
970
+
971
+ cat_infos[n_used_bins].value = (
972
+ sum_gradients_bin / (sum_hessians_bin + MIN_CAT_SUPPORT)
973
+ )
974
+ n_used_bins += 1
975
+
976
+ # not enough categories to form a split
977
+ if n_used_bins <= 1:
978
+ free(cat_infos)
979
+ return
980
+
981
+ qsort(cat_infos, n_used_bins, sizeof(categorical_info),
982
+ compare_cat_infos)
983
+
984
+ loss_current_node = _loss_from_value(value, sum_gradients)
985
+
986
+ scan_direction[0], scan_direction[1] = 1, -1
987
+ for direction in scan_direction:
988
+ if direction == 1:
989
+ middle = (n_used_bins + 1) // 2
990
+ else:
991
+ middle = (n_used_bins + 1) // 2 - 1
992
+
993
+ # The categories we'll consider will go to the left child
994
+ sum_gradient_left, sum_hessian_left = 0., 0.
995
+ n_samples_left = 0
996
+
997
+ for i in range(middle):
998
+ sorted_cat_idx = i if direction == 1 else n_used_bins - 1 - i
999
+ bin_idx = cat_infos[sorted_cat_idx].bin_idx
1000
+
1001
+ n_samples_left += feature_hist[bin_idx].count
1002
+ n_samples_right = n_samples - n_samples_left
1003
+
1004
+ if self.hessians_are_constant:
1005
+ sum_hessian_left += feature_hist[bin_idx].count
1006
+ else:
1007
+ sum_hessian_left += feature_hist[bin_idx].sum_hessians
1008
+ sum_hessian_right = sum_hessians - sum_hessian_left
1009
+
1010
+ sum_gradient_left += feature_hist[bin_idx].sum_gradients
1011
+ sum_gradient_right = sum_gradients - sum_gradient_left
1012
+
1013
+ if (
1014
+ n_samples_left < self.min_samples_leaf or
1015
+ sum_hessian_left < self.min_hessian_to_split
1016
+ ):
1017
+ continue
1018
+ if (
1019
+ n_samples_right < self.min_samples_leaf or
1020
+ sum_hessian_right < self.min_hessian_to_split
1021
+ ):
1022
+ break
1023
+
1024
+ gain = _split_gain(sum_gradient_left, sum_hessian_left,
1025
+ sum_gradient_right, sum_hessian_right,
1026
+ loss_current_node, monotonic_cst,
1027
+ lower_bound, upper_bound,
1028
+ self.l2_regularization)
1029
+ if gain > best_gain and gain > self.min_gain_to_split:
1030
+ found_better_split = True
1031
+ best_gain = gain
1032
+ best_cat_infos_thresh = sorted_cat_idx
1033
+ best_sum_gradient_left = sum_gradient_left
1034
+ best_sum_hessian_left = sum_hessian_left
1035
+ best_n_samples_left = n_samples_left
1036
+ best_direction = direction
1037
+
1038
+ if found_better_split:
1039
+ split_info.gain = best_gain
1040
+
1041
+ # split_info.bin_idx is unused for categorical splits: left_cat_bitset
1042
+ # is used instead and set below
1043
+ split_info.bin_idx = 0
1044
+
1045
+ split_info.sum_gradient_left = best_sum_gradient_left
1046
+ split_info.sum_gradient_right = sum_gradients - best_sum_gradient_left
1047
+ split_info.sum_hessian_left = best_sum_hessian_left
1048
+ split_info.sum_hessian_right = sum_hessians - best_sum_hessian_left
1049
+ split_info.n_samples_left = best_n_samples_left
1050
+ split_info.n_samples_right = n_samples - best_n_samples_left
1051
+
1052
+ # We recompute best values here but it's cheap
1053
+ split_info.value_left = compute_node_value(
1054
+ split_info.sum_gradient_left, split_info.sum_hessian_left,
1055
+ lower_bound, upper_bound, self.l2_regularization)
1056
+
1057
+ split_info.value_right = compute_node_value(
1058
+ split_info.sum_gradient_right, split_info.sum_hessian_right,
1059
+ lower_bound, upper_bound, self.l2_regularization)
1060
+
1061
+ # create bitset with values from best_cat_infos_thresh
1062
+ init_bitset(split_info.left_cat_bitset)
1063
+ if best_direction == 1:
1064
+ for sorted_cat_idx in range(best_cat_infos_thresh + 1):
1065
+ bin_idx = cat_infos[sorted_cat_idx].bin_idx
1066
+ set_bitset(split_info.left_cat_bitset, bin_idx)
1067
+ else:
1068
+ for sorted_cat_idx in range(n_used_bins - 1, best_cat_infos_thresh - 1, -1):
1069
+ bin_idx = cat_infos[sorted_cat_idx].bin_idx
1070
+ set_bitset(split_info.left_cat_bitset, bin_idx)
1071
+
1072
+ if has_missing_values:
1073
+ split_info.missing_go_to_left = in_bitset(
1074
+ split_info.left_cat_bitset, missing_values_bin_idx)
1075
+
1076
+ free(cat_infos)
1077
+
1078
+
1079
+ cdef int compare_cat_infos(const void * a, const void * b) noexcept nogil:
1080
+ return -1 if (<categorical_info *>a).value < (<categorical_info *>b).value else 1
1081
+
1082
+ cdef inline Y_DTYPE_C _split_gain(
1083
+ Y_DTYPE_C sum_gradient_left,
1084
+ Y_DTYPE_C sum_hessian_left,
1085
+ Y_DTYPE_C sum_gradient_right,
1086
+ Y_DTYPE_C sum_hessian_right,
1087
+ Y_DTYPE_C loss_current_node,
1088
+ signed char monotonic_cst,
1089
+ Y_DTYPE_C lower_bound,
1090
+ Y_DTYPE_C upper_bound,
1091
+ Y_DTYPE_C l2_regularization) noexcept nogil:
1092
+ """Loss reduction
1093
+
1094
+ Compute the reduction in loss after taking a split, compared to keeping
1095
+ the node a leaf of the tree.
1096
+
1097
+ See Equation 7 of:
1098
+ :arxiv:`T. Chen, C. Guestrin, (2016) XGBoost: A Scalable Tree Boosting System,
1099
+ <1603.02754>.`
1100
+ """
1101
+ cdef:
1102
+ Y_DTYPE_C gain
1103
+ Y_DTYPE_C value_left
1104
+ Y_DTYPE_C value_right
1105
+
1106
+ # Compute values of potential left and right children
1107
+ value_left = compute_node_value(sum_gradient_left, sum_hessian_left,
1108
+ lower_bound, upper_bound,
1109
+ l2_regularization)
1110
+ value_right = compute_node_value(sum_gradient_right, sum_hessian_right,
1111
+ lower_bound, upper_bound,
1112
+ l2_regularization)
1113
+
1114
+ if ((monotonic_cst == MonotonicConstraint.POS and value_left > value_right) or
1115
+ (monotonic_cst == MonotonicConstraint.NEG and value_left < value_right)):
1116
+ # don't consider this split since it does not respect the monotonic
1117
+ # constraints. Note that these comparisons need to be done on values
1118
+ # that have already been clipped to take the monotonic constraints into
1119
+ # account (if any).
1120
+ return -1
1121
+
1122
+ gain = loss_current_node
1123
+ gain -= _loss_from_value(value_left, sum_gradient_left)
1124
+ gain -= _loss_from_value(value_right, sum_gradient_right)
1125
+ # Note that for the gain to be correct (and for min_gain_to_split to work
1126
+ # as expected), we need all values to be bounded (current node, left child
1127
+ # and right child).
1128
+
1129
+ return gain
1130
+
1131
+ cdef inline Y_DTYPE_C _loss_from_value(
1132
+ Y_DTYPE_C value,
1133
+ Y_DTYPE_C sum_gradient) noexcept nogil:
1134
+ """Return loss of a node from its (bounded) value
1135
+
1136
+ See Equation 6 of:
1137
+ :arxiv:`T. Chen, C. Guestrin, (2016) XGBoost: A Scalable Tree Boosting System,
1138
+ <1603.02754>.`
1139
+ """
1140
+ return sum_gradient * value
1141
+
1142
+ cdef inline uint8_t sample_goes_left(
1143
+ uint8_t missing_go_to_left,
1144
+ uint8_t missing_values_bin_idx,
1145
+ X_BINNED_DTYPE_C split_bin_idx,
1146
+ X_BINNED_DTYPE_C bin_value,
1147
+ uint8_t is_categorical,
1148
+ BITSET_DTYPE_C left_cat_bitset) noexcept nogil:
1149
+ """Helper to decide whether sample should go to left or right child."""
1150
+
1151
+ if is_categorical:
1152
+ # note: if any, missing values are encoded in left_cat_bitset
1153
+ return in_bitset(left_cat_bitset, bin_value)
1154
+ else:
1155
+ return (
1156
+ (
1157
+ missing_go_to_left and
1158
+ bin_value == missing_values_bin_idx
1159
+ )
1160
+ or (
1161
+ bin_value <= split_bin_idx
1162
+ ))
1163
+
1164
+
1165
+ cpdef inline Y_DTYPE_C compute_node_value(
1166
+ Y_DTYPE_C sum_gradient,
1167
+ Y_DTYPE_C sum_hessian,
1168
+ Y_DTYPE_C lower_bound,
1169
+ Y_DTYPE_C upper_bound,
1170
+ Y_DTYPE_C l2_regularization) noexcept nogil:
1171
+ """Compute a node's value.
1172
+
1173
+ The value is capped in the [lower_bound, upper_bound] interval to respect
1174
+ monotonic constraints. Shrinkage is ignored.
1175
+
1176
+ See Equation 5 of:
1177
+ :arxiv:`T. Chen, C. Guestrin, (2016) XGBoost: A Scalable Tree Boosting System,
1178
+ <1603.02754>.`
1179
+ """
1180
+
1181
+ cdef:
1182
+ Y_DTYPE_C value
1183
+
1184
+ value = -sum_gradient / (sum_hessian + l2_regularization + 1e-15)
1185
+
1186
+ if value < lower_bound:
1187
+ value = lower_bound
1188
+ elif value > upper_bound:
1189
+ value = upper_bound
1190
+
1191
+ return value
openflamingo/lib/python3.10/site-packages/sklearn/ensemble/_hist_gradient_boosting/tests/__pycache__/__init__.cpython-310.pyc ADDED
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openflamingo/lib/python3.10/site-packages/sklearn/ensemble/_hist_gradient_boosting/tests/test_monotonic_constraints.py ADDED
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1
+ import re
2
+
3
+ import numpy as np
4
+ import pytest
5
+
6
+ from sklearn.ensemble import (
7
+ HistGradientBoostingClassifier,
8
+ HistGradientBoostingRegressor,
9
+ )
10
+ from sklearn.ensemble._hist_gradient_boosting.common import (
11
+ G_H_DTYPE,
12
+ X_BINNED_DTYPE,
13
+ MonotonicConstraint,
14
+ )
15
+ from sklearn.ensemble._hist_gradient_boosting.grower import TreeGrower
16
+ from sklearn.ensemble._hist_gradient_boosting.histogram import HistogramBuilder
17
+ from sklearn.ensemble._hist_gradient_boosting.splitting import (
18
+ Splitter,
19
+ compute_node_value,
20
+ )
21
+ from sklearn.utils._openmp_helpers import _openmp_effective_n_threads
22
+ from sklearn.utils._testing import _convert_container
23
+
24
+ n_threads = _openmp_effective_n_threads()
25
+
26
+
27
+ def is_increasing(a):
28
+ return (np.diff(a) >= 0.0).all()
29
+
30
+
31
+ def is_decreasing(a):
32
+ return (np.diff(a) <= 0.0).all()
33
+
34
+
35
+ def assert_leaves_values_monotonic(predictor, monotonic_cst):
36
+ # make sure leaves values (from left to right) are either all increasing
37
+ # or all decreasing (or neither) depending on the monotonic constraint.
38
+ nodes = predictor.nodes
39
+
40
+ def get_leaves_values():
41
+ """get leaves values from left to right"""
42
+ values = []
43
+
44
+ def depth_first_collect_leaf_values(node_idx):
45
+ node = nodes[node_idx]
46
+ if node["is_leaf"]:
47
+ values.append(node["value"])
48
+ return
49
+ depth_first_collect_leaf_values(node["left"])
50
+ depth_first_collect_leaf_values(node["right"])
51
+
52
+ depth_first_collect_leaf_values(0) # start at root (0)
53
+ return values
54
+
55
+ values = get_leaves_values()
56
+
57
+ if monotonic_cst == MonotonicConstraint.NO_CST:
58
+ # some increasing, some decreasing
59
+ assert not is_increasing(values) and not is_decreasing(values)
60
+ elif monotonic_cst == MonotonicConstraint.POS:
61
+ # all increasing
62
+ assert is_increasing(values)
63
+ else: # NEG
64
+ # all decreasing
65
+ assert is_decreasing(values)
66
+
67
+
68
+ def assert_children_values_monotonic(predictor, monotonic_cst):
69
+ # Make sure siblings values respect the monotonic constraints. Left should
70
+ # be lower (resp greater) than right child if constraint is POS (resp.
71
+ # NEG).
72
+ # Note that this property alone isn't enough to ensure full monotonicity,
73
+ # since we also need to guanrantee that all the descendents of the left
74
+ # child won't be greater (resp. lower) than the right child, or its
75
+ # descendents. That's why we need to bound the predicted values (this is
76
+ # tested in assert_children_values_bounded)
77
+ nodes = predictor.nodes
78
+ left_lower = []
79
+ left_greater = []
80
+ for node in nodes:
81
+ if node["is_leaf"]:
82
+ continue
83
+
84
+ left_idx = node["left"]
85
+ right_idx = node["right"]
86
+
87
+ if nodes[left_idx]["value"] < nodes[right_idx]["value"]:
88
+ left_lower.append(node)
89
+ elif nodes[left_idx]["value"] > nodes[right_idx]["value"]:
90
+ left_greater.append(node)
91
+
92
+ if monotonic_cst == MonotonicConstraint.NO_CST:
93
+ assert left_lower and left_greater
94
+ elif monotonic_cst == MonotonicConstraint.POS:
95
+ assert left_lower and not left_greater
96
+ else: # NEG
97
+ assert not left_lower and left_greater
98
+
99
+
100
+ def assert_children_values_bounded(grower, monotonic_cst):
101
+ # Make sure that the values of the children of a node are bounded by the
102
+ # middle value between that node and its sibling (if there is a monotonic
103
+ # constraint).
104
+ # As a bonus, we also check that the siblings values are properly ordered
105
+ # which is slightly redundant with assert_children_values_monotonic (but
106
+ # this check is done on the grower nodes whereas
107
+ # assert_children_values_monotonic is done on the predictor nodes)
108
+
109
+ if monotonic_cst == MonotonicConstraint.NO_CST:
110
+ return
111
+
112
+ def recursively_check_children_node_values(node, right_sibling=None):
113
+ if node.is_leaf:
114
+ return
115
+ if right_sibling is not None:
116
+ middle = (node.value + right_sibling.value) / 2
117
+ if monotonic_cst == MonotonicConstraint.POS:
118
+ assert node.left_child.value <= node.right_child.value <= middle
119
+ if not right_sibling.is_leaf:
120
+ assert (
121
+ middle
122
+ <= right_sibling.left_child.value
123
+ <= right_sibling.right_child.value
124
+ )
125
+ else: # NEG
126
+ assert node.left_child.value >= node.right_child.value >= middle
127
+ if not right_sibling.is_leaf:
128
+ assert (
129
+ middle
130
+ >= right_sibling.left_child.value
131
+ >= right_sibling.right_child.value
132
+ )
133
+
134
+ recursively_check_children_node_values(
135
+ node.left_child, right_sibling=node.right_child
136
+ )
137
+ recursively_check_children_node_values(node.right_child)
138
+
139
+ recursively_check_children_node_values(grower.root)
140
+
141
+
142
+ @pytest.mark.parametrize("seed", range(3))
143
+ @pytest.mark.parametrize(
144
+ "monotonic_cst",
145
+ (
146
+ MonotonicConstraint.NO_CST,
147
+ MonotonicConstraint.POS,
148
+ MonotonicConstraint.NEG,
149
+ ),
150
+ )
151
+ def test_nodes_values(monotonic_cst, seed):
152
+ # Build a single tree with only one feature, and make sure the nodes
153
+ # values respect the monotonic constraints.
154
+
155
+ # Considering the following tree with a monotonic POS constraint, we
156
+ # should have:
157
+ #
158
+ # root
159
+ # / \
160
+ # 5 10 # middle = 7.5
161
+ # / \ / \
162
+ # a b c d
163
+ #
164
+ # a <= b and c <= d (assert_children_values_monotonic)
165
+ # a, b <= middle <= c, d (assert_children_values_bounded)
166
+ # a <= b <= c <= d (assert_leaves_values_monotonic)
167
+ #
168
+ # The last one is a consequence of the others, but can't hurt to check
169
+
170
+ rng = np.random.RandomState(seed)
171
+ n_samples = 1000
172
+ n_features = 1
173
+ X_binned = rng.randint(0, 255, size=(n_samples, n_features), dtype=np.uint8)
174
+ X_binned = np.asfortranarray(X_binned)
175
+
176
+ gradients = rng.normal(size=n_samples).astype(G_H_DTYPE)
177
+ hessians = np.ones(shape=1, dtype=G_H_DTYPE)
178
+
179
+ grower = TreeGrower(
180
+ X_binned, gradients, hessians, monotonic_cst=[monotonic_cst], shrinkage=0.1
181
+ )
182
+ grower.grow()
183
+
184
+ # grow() will shrink the leaves values at the very end. For our comparison
185
+ # tests, we need to revert the shrinkage of the leaves, else we would
186
+ # compare the value of a leaf (shrunk) with a node (not shrunk) and the
187
+ # test would not be correct.
188
+ for leave in grower.finalized_leaves:
189
+ leave.value /= grower.shrinkage
190
+
191
+ # We pass undefined binning_thresholds because we won't use predict anyway
192
+ predictor = grower.make_predictor(
193
+ binning_thresholds=np.zeros((X_binned.shape[1], X_binned.max() + 1))
194
+ )
195
+
196
+ # The consistency of the bounds can only be checked on the tree grower
197
+ # as the node bounds are not copied into the predictor tree. The
198
+ # consistency checks on the values of node children and leaves can be
199
+ # done either on the grower tree or on the predictor tree. We only
200
+ # do those checks on the predictor tree as the latter is derived from
201
+ # the former.
202
+ assert_children_values_monotonic(predictor, monotonic_cst)
203
+ assert_children_values_bounded(grower, monotonic_cst)
204
+ assert_leaves_values_monotonic(predictor, monotonic_cst)
205
+
206
+
207
+ @pytest.mark.parametrize("use_feature_names", (True, False))
208
+ def test_predictions(global_random_seed, use_feature_names):
209
+ # Train a model with a POS constraint on the first non-categorical feature
210
+ # and a NEG constraint on the second non-categorical feature, and make sure
211
+ # the constraints are respected by checking the predictions.
212
+ # test adapted from lightgbm's test_monotone_constraint(), itself inspired
213
+ # by https://xgboost.readthedocs.io/en/latest/tutorials/monotonic.html
214
+
215
+ rng = np.random.RandomState(global_random_seed)
216
+
217
+ n_samples = 1000
218
+ f_0 = rng.rand(n_samples) # positive correlation with y
219
+ f_1 = rng.rand(n_samples) # negative correlation with y
220
+
221
+ # extra categorical features, no correlation with y,
222
+ # to check the correctness of monotonicity constraint remapping, see issue #28898
223
+ f_a = rng.randint(low=0, high=9, size=n_samples)
224
+ f_b = rng.randint(low=0, high=9, size=n_samples)
225
+ f_c = rng.randint(low=0, high=9, size=n_samples)
226
+
227
+ X = np.c_[f_a, f_0, f_b, f_1, f_c]
228
+ columns_name = ["f_a", "f_0", "f_b", "f_1", "f_c"]
229
+ constructor_name = "dataframe" if use_feature_names else "array"
230
+ X = _convert_container(X, constructor_name, columns_name=columns_name)
231
+
232
+ noise = rng.normal(loc=0.0, scale=0.01, size=n_samples)
233
+ y = 5 * f_0 + np.sin(10 * np.pi * f_0) - 5 * f_1 - np.cos(10 * np.pi * f_1) + noise
234
+
235
+ if use_feature_names:
236
+ monotonic_cst = {"f_0": +1, "f_1": -1}
237
+ categorical_features = ["f_a", "f_b", "f_c"]
238
+ else:
239
+ monotonic_cst = [0, +1, 0, -1, 0]
240
+ categorical_features = [0, 2, 4]
241
+
242
+ gbdt = HistGradientBoostingRegressor(
243
+ monotonic_cst=monotonic_cst, categorical_features=categorical_features
244
+ )
245
+ gbdt.fit(X, y)
246
+
247
+ linspace = np.linspace(0, 1, 100)
248
+ sin = np.sin(linspace)
249
+ constant = np.full_like(linspace, fill_value=0.5)
250
+
251
+ # We now assert the predictions properly respect the constraints, on each
252
+ # feature. When testing for a feature we need to set the other one to a
253
+ # constant, because the monotonic constraints are only a "all else being
254
+ # equal" type of constraints:
255
+ # a constraint on the first feature only means that
256
+ # x0 < x0' => f(x0, x1) < f(x0', x1)
257
+ # while x1 stays constant.
258
+ # The constraint does not guanrantee that
259
+ # x0 < x0' => f(x0, x1) < f(x0', x1')
260
+
261
+ # First non-categorical feature (POS)
262
+ # assert pred is all increasing when f_0 is all increasing
263
+ X = np.c_[constant, linspace, constant, constant, constant]
264
+ X = _convert_container(X, constructor_name, columns_name=columns_name)
265
+ pred = gbdt.predict(X)
266
+ assert is_increasing(pred)
267
+ # assert pred actually follows the variations of f_0
268
+ X = np.c_[constant, sin, constant, constant, constant]
269
+ X = _convert_container(X, constructor_name, columns_name=columns_name)
270
+ pred = gbdt.predict(X)
271
+ assert np.all((np.diff(pred) >= 0) == (np.diff(sin) >= 0))
272
+
273
+ # Second non-categorical feature (NEG)
274
+ # assert pred is all decreasing when f_1 is all increasing
275
+ X = np.c_[constant, constant, constant, linspace, constant]
276
+ X = _convert_container(X, constructor_name, columns_name=columns_name)
277
+ pred = gbdt.predict(X)
278
+ assert is_decreasing(pred)
279
+ # assert pred actually follows the inverse variations of f_1
280
+ X = np.c_[constant, constant, constant, sin, constant]
281
+ X = _convert_container(X, constructor_name, columns_name=columns_name)
282
+ pred = gbdt.predict(X)
283
+ assert ((np.diff(pred) <= 0) == (np.diff(sin) >= 0)).all()
284
+
285
+
286
+ def test_input_error():
287
+ X = [[1, 2], [2, 3], [3, 4]]
288
+ y = [0, 1, 2]
289
+
290
+ gbdt = HistGradientBoostingRegressor(monotonic_cst=[1, 0, -1])
291
+ with pytest.raises(
292
+ ValueError, match=re.escape("monotonic_cst has shape (3,) but the input data")
293
+ ):
294
+ gbdt.fit(X, y)
295
+
296
+ for monotonic_cst in ([1, 3], [1, -3], [0.3, -0.7]):
297
+ gbdt = HistGradientBoostingRegressor(monotonic_cst=monotonic_cst)
298
+ expected_msg = re.escape(
299
+ "must be an array-like of -1, 0 or 1. Observed values:"
300
+ )
301
+ with pytest.raises(ValueError, match=expected_msg):
302
+ gbdt.fit(X, y)
303
+
304
+ gbdt = HistGradientBoostingClassifier(monotonic_cst=[0, 1])
305
+ with pytest.raises(
306
+ ValueError,
307
+ match="monotonic constraints are not supported for multiclass classification",
308
+ ):
309
+ gbdt.fit(X, y)
310
+
311
+
312
+ def test_input_error_related_to_feature_names():
313
+ pd = pytest.importorskip("pandas")
314
+ X = pd.DataFrame({"a": [0, 1, 2], "b": [0, 1, 2]})
315
+ y = np.array([0, 1, 0])
316
+
317
+ monotonic_cst = {"d": 1, "a": 1, "c": -1}
318
+ gbdt = HistGradientBoostingRegressor(monotonic_cst=monotonic_cst)
319
+ expected_msg = re.escape(
320
+ "monotonic_cst contains 2 unexpected feature names: ['c', 'd']."
321
+ )
322
+ with pytest.raises(ValueError, match=expected_msg):
323
+ gbdt.fit(X, y)
324
+
325
+ monotonic_cst = {k: 1 for k in "abcdefghijklmnopqrstuvwxyz"}
326
+ gbdt = HistGradientBoostingRegressor(monotonic_cst=monotonic_cst)
327
+ expected_msg = re.escape(
328
+ "monotonic_cst contains 24 unexpected feature names: "
329
+ "['c', 'd', 'e', 'f', 'g', '...']."
330
+ )
331
+ with pytest.raises(ValueError, match=expected_msg):
332
+ gbdt.fit(X, y)
333
+
334
+ monotonic_cst = {"a": 1}
335
+ gbdt = HistGradientBoostingRegressor(monotonic_cst=monotonic_cst)
336
+ expected_msg = re.escape(
337
+ "HistGradientBoostingRegressor was not fitted on data with feature "
338
+ "names. Pass monotonic_cst as an integer array instead."
339
+ )
340
+ with pytest.raises(ValueError, match=expected_msg):
341
+ gbdt.fit(X.values, y)
342
+
343
+ monotonic_cst = {"b": -1, "a": "+"}
344
+ gbdt = HistGradientBoostingRegressor(monotonic_cst=monotonic_cst)
345
+ expected_msg = re.escape("monotonic_cst['a'] must be either -1, 0 or 1. Got '+'.")
346
+ with pytest.raises(ValueError, match=expected_msg):
347
+ gbdt.fit(X, y)
348
+
349
+
350
+ def test_bounded_value_min_gain_to_split():
351
+ # The purpose of this test is to show that when computing the gain at a
352
+ # given split, the value of the current node should be properly bounded to
353
+ # respect the monotonic constraints, because it strongly interacts with
354
+ # min_gain_to_split. We build a simple example where gradients are [1, 1,
355
+ # 100, 1, 1] (hessians are all ones). The best split happens on the 3rd
356
+ # bin, and depending on whether the value of the node is bounded or not,
357
+ # the min_gain_to_split constraint is or isn't satisfied.
358
+ l2_regularization = 0
359
+ min_hessian_to_split = 0
360
+ min_samples_leaf = 1
361
+ n_bins = n_samples = 5
362
+ X_binned = np.arange(n_samples).reshape(-1, 1).astype(X_BINNED_DTYPE)
363
+ sample_indices = np.arange(n_samples, dtype=np.uint32)
364
+ all_hessians = np.ones(n_samples, dtype=G_H_DTYPE)
365
+ all_gradients = np.array([1, 1, 100, 1, 1], dtype=G_H_DTYPE)
366
+ sum_gradients = all_gradients.sum()
367
+ sum_hessians = all_hessians.sum()
368
+ hessians_are_constant = False
369
+
370
+ builder = HistogramBuilder(
371
+ X_binned, n_bins, all_gradients, all_hessians, hessians_are_constant, n_threads
372
+ )
373
+ n_bins_non_missing = np.array([n_bins - 1] * X_binned.shape[1], dtype=np.uint32)
374
+ has_missing_values = np.array([False] * X_binned.shape[1], dtype=np.uint8)
375
+ monotonic_cst = np.array(
376
+ [MonotonicConstraint.NO_CST] * X_binned.shape[1], dtype=np.int8
377
+ )
378
+ is_categorical = np.zeros_like(monotonic_cst, dtype=np.uint8)
379
+ missing_values_bin_idx = n_bins - 1
380
+ children_lower_bound, children_upper_bound = -np.inf, np.inf
381
+
382
+ min_gain_to_split = 2000
383
+ splitter = Splitter(
384
+ X_binned,
385
+ n_bins_non_missing,
386
+ missing_values_bin_idx,
387
+ has_missing_values,
388
+ is_categorical,
389
+ monotonic_cst,
390
+ l2_regularization,
391
+ min_hessian_to_split,
392
+ min_samples_leaf,
393
+ min_gain_to_split,
394
+ hessians_are_constant,
395
+ )
396
+
397
+ histograms = builder.compute_histograms_brute(sample_indices)
398
+
399
+ # Since the gradient array is [1, 1, 100, 1, 1]
400
+ # the max possible gain happens on the 3rd bin (or equivalently in the 2nd)
401
+ # and is equal to about 1307, which less than min_gain_to_split = 2000, so
402
+ # the node is considered unsplittable (gain = -1)
403
+ current_lower_bound, current_upper_bound = -np.inf, np.inf
404
+ value = compute_node_value(
405
+ sum_gradients,
406
+ sum_hessians,
407
+ current_lower_bound,
408
+ current_upper_bound,
409
+ l2_regularization,
410
+ )
411
+ # the unbounded value is equal to -sum_gradients / sum_hessians
412
+ assert value == pytest.approx(-104 / 5)
413
+ split_info = splitter.find_node_split(
414
+ n_samples,
415
+ histograms,
416
+ sum_gradients,
417
+ sum_hessians,
418
+ value,
419
+ lower_bound=children_lower_bound,
420
+ upper_bound=children_upper_bound,
421
+ )
422
+ assert split_info.gain == -1 # min_gain_to_split not respected
423
+
424
+ # here again the max possible gain is on the 3rd bin but we now cap the
425
+ # value of the node into [-10, inf].
426
+ # This means the gain is now about 2430 which is more than the
427
+ # min_gain_to_split constraint.
428
+ current_lower_bound, current_upper_bound = -10, np.inf
429
+ value = compute_node_value(
430
+ sum_gradients,
431
+ sum_hessians,
432
+ current_lower_bound,
433
+ current_upper_bound,
434
+ l2_regularization,
435
+ )
436
+ assert value == -10
437
+ split_info = splitter.find_node_split(
438
+ n_samples,
439
+ histograms,
440
+ sum_gradients,
441
+ sum_hessians,
442
+ value,
443
+ lower_bound=children_lower_bound,
444
+ upper_bound=children_upper_bound,
445
+ )
446
+ assert split_info.gain > min_gain_to_split
openflamingo/lib/python3.10/site-packages/sklearn/ensemble/_hist_gradient_boosting/tests/test_predictor.py ADDED
@@ -0,0 +1,187 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ import numpy as np
2
+ import pytest
3
+ from numpy.testing import assert_allclose
4
+
5
+ from sklearn.datasets import make_regression
6
+ from sklearn.ensemble._hist_gradient_boosting._bitset import (
7
+ set_bitset_memoryview,
8
+ set_raw_bitset_from_binned_bitset,
9
+ )
10
+ from sklearn.ensemble._hist_gradient_boosting.binning import _BinMapper
11
+ from sklearn.ensemble._hist_gradient_boosting.common import (
12
+ ALMOST_INF,
13
+ G_H_DTYPE,
14
+ PREDICTOR_RECORD_DTYPE,
15
+ X_BINNED_DTYPE,
16
+ X_BITSET_INNER_DTYPE,
17
+ X_DTYPE,
18
+ )
19
+ from sklearn.ensemble._hist_gradient_boosting.grower import TreeGrower
20
+ from sklearn.ensemble._hist_gradient_boosting.predictor import TreePredictor
21
+ from sklearn.metrics import r2_score
22
+ from sklearn.model_selection import train_test_split
23
+ from sklearn.utils._openmp_helpers import _openmp_effective_n_threads
24
+
25
+ n_threads = _openmp_effective_n_threads()
26
+
27
+
28
+ @pytest.mark.parametrize("n_bins", [200, 256])
29
+ def test_regression_dataset(n_bins):
30
+ X, y = make_regression(
31
+ n_samples=500, n_features=10, n_informative=5, random_state=42
32
+ )
33
+ X_train, X_test, y_train, y_test = train_test_split(X, y, random_state=42)
34
+
35
+ mapper = _BinMapper(n_bins=n_bins, random_state=42)
36
+ X_train_binned = mapper.fit_transform(X_train)
37
+
38
+ # Init gradients and hessians to that of least squares loss
39
+ gradients = -y_train.astype(G_H_DTYPE)
40
+ hessians = np.ones(1, dtype=G_H_DTYPE)
41
+
42
+ min_samples_leaf = 10
43
+ max_leaf_nodes = 30
44
+ grower = TreeGrower(
45
+ X_train_binned,
46
+ gradients,
47
+ hessians,
48
+ min_samples_leaf=min_samples_leaf,
49
+ max_leaf_nodes=max_leaf_nodes,
50
+ n_bins=n_bins,
51
+ n_bins_non_missing=mapper.n_bins_non_missing_,
52
+ )
53
+ grower.grow()
54
+
55
+ predictor = grower.make_predictor(binning_thresholds=mapper.bin_thresholds_)
56
+
57
+ known_cat_bitsets = np.zeros((0, 8), dtype=X_BITSET_INNER_DTYPE)
58
+ f_idx_map = np.zeros(0, dtype=np.uint32)
59
+
60
+ y_pred_train = predictor.predict(X_train, known_cat_bitsets, f_idx_map, n_threads)
61
+ assert r2_score(y_train, y_pred_train) > 0.82
62
+
63
+ y_pred_test = predictor.predict(X_test, known_cat_bitsets, f_idx_map, n_threads)
64
+ assert r2_score(y_test, y_pred_test) > 0.67
65
+
66
+
67
+ @pytest.mark.parametrize(
68
+ "num_threshold, expected_predictions",
69
+ [
70
+ (-np.inf, [0, 1, 1, 1]),
71
+ (10, [0, 0, 1, 1]),
72
+ (20, [0, 0, 0, 1]),
73
+ (ALMOST_INF, [0, 0, 0, 1]),
74
+ (np.inf, [0, 0, 0, 0]),
75
+ ],
76
+ )
77
+ def test_infinite_values_and_thresholds(num_threshold, expected_predictions):
78
+ # Make sure infinite values and infinite thresholds are handled properly.
79
+ # In particular, if a value is +inf and the threshold is ALMOST_INF the
80
+ # sample should go to the right child. If the threshold is inf (split on
81
+ # nan), the +inf sample will go to the left child.
82
+
83
+ X = np.array([-np.inf, 10, 20, np.inf]).reshape(-1, 1)
84
+ nodes = np.zeros(3, dtype=PREDICTOR_RECORD_DTYPE)
85
+
86
+ # We just construct a simple tree with 1 root and 2 children
87
+ # parent node
88
+ nodes[0]["left"] = 1
89
+ nodes[0]["right"] = 2
90
+ nodes[0]["feature_idx"] = 0
91
+ nodes[0]["num_threshold"] = num_threshold
92
+
93
+ # left child
94
+ nodes[1]["is_leaf"] = True
95
+ nodes[1]["value"] = 0
96
+
97
+ # right child
98
+ nodes[2]["is_leaf"] = True
99
+ nodes[2]["value"] = 1
100
+
101
+ binned_cat_bitsets = np.zeros((0, 8), dtype=X_BITSET_INNER_DTYPE)
102
+ raw_categorical_bitsets = np.zeros((0, 8), dtype=X_BITSET_INNER_DTYPE)
103
+ known_cat_bitset = np.zeros((0, 8), dtype=X_BITSET_INNER_DTYPE)
104
+ f_idx_map = np.zeros(0, dtype=np.uint32)
105
+
106
+ predictor = TreePredictor(nodes, binned_cat_bitsets, raw_categorical_bitsets)
107
+ predictions = predictor.predict(X, known_cat_bitset, f_idx_map, n_threads)
108
+
109
+ assert np.all(predictions == expected_predictions)
110
+
111
+
112
+ @pytest.mark.parametrize(
113
+ "bins_go_left, expected_predictions",
114
+ [
115
+ ([0, 3, 4, 6], [1, 0, 0, 1, 1, 0]),
116
+ ([0, 1, 2, 6], [1, 1, 1, 0, 0, 0]),
117
+ ([3, 5, 6], [0, 0, 0, 1, 0, 1]),
118
+ ],
119
+ )
120
+ def test_categorical_predictor(bins_go_left, expected_predictions):
121
+ # Test predictor outputs are correct with categorical features
122
+
123
+ X_binned = np.array([[0, 1, 2, 3, 4, 5]], dtype=X_BINNED_DTYPE).T
124
+ categories = np.array([2, 5, 6, 8, 10, 15], dtype=X_DTYPE)
125
+
126
+ bins_go_left = np.array(bins_go_left, dtype=X_BINNED_DTYPE)
127
+
128
+ # We just construct a simple tree with 1 root and 2 children
129
+ # parent node
130
+ nodes = np.zeros(3, dtype=PREDICTOR_RECORD_DTYPE)
131
+ nodes[0]["left"] = 1
132
+ nodes[0]["right"] = 2
133
+ nodes[0]["feature_idx"] = 0
134
+ nodes[0]["is_categorical"] = True
135
+ nodes[0]["missing_go_to_left"] = True
136
+
137
+ # left child
138
+ nodes[1]["is_leaf"] = True
139
+ nodes[1]["value"] = 1
140
+
141
+ # right child
142
+ nodes[2]["is_leaf"] = True
143
+ nodes[2]["value"] = 0
144
+
145
+ binned_cat_bitsets = np.zeros((1, 8), dtype=X_BITSET_INNER_DTYPE)
146
+ raw_categorical_bitsets = np.zeros((1, 8), dtype=X_BITSET_INNER_DTYPE)
147
+ for go_left in bins_go_left:
148
+ set_bitset_memoryview(binned_cat_bitsets[0], go_left)
149
+
150
+ set_raw_bitset_from_binned_bitset(
151
+ raw_categorical_bitsets[0], binned_cat_bitsets[0], categories
152
+ )
153
+
154
+ predictor = TreePredictor(nodes, binned_cat_bitsets, raw_categorical_bitsets)
155
+
156
+ # Check binned data gives correct predictions
157
+ prediction_binned = predictor.predict_binned(
158
+ X_binned, missing_values_bin_idx=6, n_threads=n_threads
159
+ )
160
+ assert_allclose(prediction_binned, expected_predictions)
161
+
162
+ # manually construct bitset
163
+ known_cat_bitsets = np.zeros((1, 8), dtype=np.uint32)
164
+ known_cat_bitsets[0, 0] = np.sum(2**categories, dtype=np.uint32)
165
+ f_idx_map = np.array([0], dtype=np.uint32)
166
+
167
+ # Check with un-binned data
168
+ predictions = predictor.predict(
169
+ categories.reshape(-1, 1), known_cat_bitsets, f_idx_map, n_threads
170
+ )
171
+ assert_allclose(predictions, expected_predictions)
172
+
173
+ # Check missing goes left because missing_values_bin_idx=6
174
+ X_binned_missing = np.array([[6]], dtype=X_BINNED_DTYPE).T
175
+ predictions = predictor.predict_binned(
176
+ X_binned_missing, missing_values_bin_idx=6, n_threads=n_threads
177
+ )
178
+ assert_allclose(predictions, [1])
179
+
180
+ # missing and unknown go left
181
+ predictions = predictor.predict(
182
+ np.array([[np.nan, 17]], dtype=X_DTYPE).T,
183
+ known_cat_bitsets,
184
+ f_idx_map,
185
+ n_threads,
186
+ )
187
+ assert_allclose(predictions, [1, 1])
openflamingo/lib/python3.10/site-packages/sklearn/ensemble/_iforest.py ADDED
@@ -0,0 +1,673 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ # Authors: The scikit-learn developers
2
+ # SPDX-License-Identifier: BSD-3-Clause
3
+
4
+ import numbers
5
+ import threading
6
+ from numbers import Integral, Real
7
+ from warnings import warn
8
+
9
+ import numpy as np
10
+ from scipy.sparse import issparse
11
+
12
+ from ..base import OutlierMixin, _fit_context
13
+ from ..tree import ExtraTreeRegressor
14
+ from ..tree._tree import DTYPE as tree_dtype
15
+ from ..utils import (
16
+ check_array,
17
+ check_random_state,
18
+ gen_batches,
19
+ )
20
+ from ..utils._chunking import get_chunk_n_rows
21
+ from ..utils._param_validation import Interval, RealNotInt, StrOptions
22
+ from ..utils.parallel import Parallel, delayed
23
+ from ..utils.validation import _num_samples, check_is_fitted, validate_data
24
+ from ._bagging import BaseBagging
25
+
26
+ __all__ = ["IsolationForest"]
27
+
28
+
29
+ def _parallel_compute_tree_depths(
30
+ tree,
31
+ X,
32
+ features,
33
+ tree_decision_path_lengths,
34
+ tree_avg_path_lengths,
35
+ depths,
36
+ lock,
37
+ ):
38
+ """Parallel computation of isolation tree depth."""
39
+ if features is None:
40
+ X_subset = X
41
+ else:
42
+ X_subset = X[:, features]
43
+
44
+ leaves_index = tree.apply(X_subset, check_input=False)
45
+
46
+ with lock:
47
+ depths += (
48
+ tree_decision_path_lengths[leaves_index]
49
+ + tree_avg_path_lengths[leaves_index]
50
+ - 1.0
51
+ )
52
+
53
+
54
+ class IsolationForest(OutlierMixin, BaseBagging):
55
+ """
56
+ Isolation Forest Algorithm.
57
+
58
+ Return the anomaly score of each sample using the IsolationForest algorithm
59
+
60
+ The IsolationForest 'isolates' observations by randomly selecting a feature
61
+ and then randomly selecting a split value between the maximum and minimum
62
+ values of the selected feature.
63
+
64
+ Since recursive partitioning can be represented by a tree structure, the
65
+ number of splittings required to isolate a sample is equivalent to the path
66
+ length from the root node to the terminating node.
67
+
68
+ This path length, averaged over a forest of such random trees, is a
69
+ measure of normality and our decision function.
70
+
71
+ Random partitioning produces noticeably shorter paths for anomalies.
72
+ Hence, when a forest of random trees collectively produce shorter path
73
+ lengths for particular samples, they are highly likely to be anomalies.
74
+
75
+ Read more in the :ref:`User Guide <isolation_forest>`.
76
+
77
+ .. versionadded:: 0.18
78
+
79
+ Parameters
80
+ ----------
81
+ n_estimators : int, default=100
82
+ The number of base estimators in the ensemble.
83
+
84
+ max_samples : "auto", int or float, default="auto"
85
+ The number of samples to draw from X to train each base estimator.
86
+
87
+ - If int, then draw `max_samples` samples.
88
+ - If float, then draw `max_samples * X.shape[0]` samples.
89
+ - If "auto", then `max_samples=min(256, n_samples)`.
90
+
91
+ If max_samples is larger than the number of samples provided,
92
+ all samples will be used for all trees (no sampling).
93
+
94
+ contamination : 'auto' or float, default='auto'
95
+ The amount of contamination of the data set, i.e. the proportion
96
+ of outliers in the data set. Used when fitting to define the threshold
97
+ on the scores of the samples.
98
+
99
+ - If 'auto', the threshold is determined as in the
100
+ original paper.
101
+ - If float, the contamination should be in the range (0, 0.5].
102
+
103
+ .. versionchanged:: 0.22
104
+ The default value of ``contamination`` changed from 0.1
105
+ to ``'auto'``.
106
+
107
+ max_features : int or float, default=1.0
108
+ The number of features to draw from X to train each base estimator.
109
+
110
+ - If int, then draw `max_features` features.
111
+ - If float, then draw `max(1, int(max_features * n_features_in_))` features.
112
+
113
+ Note: using a float number less than 1.0 or integer less than number of
114
+ features will enable feature subsampling and leads to a longer runtime.
115
+
116
+ bootstrap : bool, default=False
117
+ If True, individual trees are fit on random subsets of the training
118
+ data sampled with replacement. If False, sampling without replacement
119
+ is performed.
120
+
121
+ n_jobs : int, default=None
122
+ The number of jobs to run in parallel for :meth:`fit`. ``None`` means 1
123
+ unless in a :obj:`joblib.parallel_backend` context. ``-1`` means using
124
+ all processors. See :term:`Glossary <n_jobs>` for more details.
125
+
126
+ random_state : int, RandomState instance or None, default=None
127
+ Controls the pseudo-randomness of the selection of the feature
128
+ and split values for each branching step and each tree in the forest.
129
+
130
+ Pass an int for reproducible results across multiple function calls.
131
+ See :term:`Glossary <random_state>`.
132
+
133
+ verbose : int, default=0
134
+ Controls the verbosity of the tree building process.
135
+
136
+ warm_start : bool, default=False
137
+ When set to ``True``, reuse the solution of the previous call to fit
138
+ and add more estimators to the ensemble, otherwise, just fit a whole
139
+ new forest. See :term:`the Glossary <warm_start>`.
140
+
141
+ .. versionadded:: 0.21
142
+
143
+ Attributes
144
+ ----------
145
+ estimator_ : :class:`~sklearn.tree.ExtraTreeRegressor` instance
146
+ The child estimator template used to create the collection of
147
+ fitted sub-estimators.
148
+
149
+ .. versionadded:: 1.2
150
+ `base_estimator_` was renamed to `estimator_`.
151
+
152
+ estimators_ : list of ExtraTreeRegressor instances
153
+ The collection of fitted sub-estimators.
154
+
155
+ estimators_features_ : list of ndarray
156
+ The subset of drawn features for each base estimator.
157
+
158
+ estimators_samples_ : list of ndarray
159
+ The subset of drawn samples (i.e., the in-bag samples) for each base
160
+ estimator.
161
+
162
+ max_samples_ : int
163
+ The actual number of samples.
164
+
165
+ offset_ : float
166
+ Offset used to define the decision function from the raw scores. We
167
+ have the relation: ``decision_function = score_samples - offset_``.
168
+ ``offset_`` is defined as follows. When the contamination parameter is
169
+ set to "auto", the offset is equal to -0.5 as the scores of inliers are
170
+ close to 0 and the scores of outliers are close to -1. When a
171
+ contamination parameter different than "auto" is provided, the offset
172
+ is defined in such a way we obtain the expected number of outliers
173
+ (samples with decision function < 0) in training.
174
+
175
+ .. versionadded:: 0.20
176
+
177
+ n_features_in_ : int
178
+ Number of features seen during :term:`fit`.
179
+
180
+ .. versionadded:: 0.24
181
+
182
+ feature_names_in_ : ndarray of shape (`n_features_in_`,)
183
+ Names of features seen during :term:`fit`. Defined only when `X`
184
+ has feature names that are all strings.
185
+
186
+ .. versionadded:: 1.0
187
+
188
+ See Also
189
+ --------
190
+ sklearn.covariance.EllipticEnvelope : An object for detecting outliers in a
191
+ Gaussian distributed dataset.
192
+ sklearn.svm.OneClassSVM : Unsupervised Outlier Detection.
193
+ Estimate the support of a high-dimensional distribution.
194
+ The implementation is based on libsvm.
195
+ sklearn.neighbors.LocalOutlierFactor : Unsupervised Outlier Detection
196
+ using Local Outlier Factor (LOF).
197
+
198
+ Notes
199
+ -----
200
+ The implementation is based on an ensemble of ExtraTreeRegressor. The
201
+ maximum depth of each tree is set to ``ceil(log_2(n))`` where
202
+ :math:`n` is the number of samples used to build the tree
203
+ (see (Liu et al., 2008) for more details).
204
+
205
+ References
206
+ ----------
207
+ .. [1] Liu, Fei Tony, Ting, Kai Ming and Zhou, Zhi-Hua. "Isolation forest."
208
+ Data Mining, 2008. ICDM'08. Eighth IEEE International Conference on.
209
+ .. [2] Liu, Fei Tony, Ting, Kai Ming and Zhou, Zhi-Hua. "Isolation-based
210
+ anomaly detection." ACM Transactions on Knowledge Discovery from
211
+ Data (TKDD) 6.1 (2012): 3.
212
+
213
+ Examples
214
+ --------
215
+ >>> from sklearn.ensemble import IsolationForest
216
+ >>> X = [[-1.1], [0.3], [0.5], [100]]
217
+ >>> clf = IsolationForest(random_state=0).fit(X)
218
+ >>> clf.predict([[0.1], [0], [90]])
219
+ array([ 1, 1, -1])
220
+
221
+ For an example of using isolation forest for anomaly detection see
222
+ :ref:`sphx_glr_auto_examples_ensemble_plot_isolation_forest.py`.
223
+ """
224
+
225
+ _parameter_constraints: dict = {
226
+ "n_estimators": [Interval(Integral, 1, None, closed="left")],
227
+ "max_samples": [
228
+ StrOptions({"auto"}),
229
+ Interval(Integral, 1, None, closed="left"),
230
+ Interval(RealNotInt, 0, 1, closed="right"),
231
+ ],
232
+ "contamination": [
233
+ StrOptions({"auto"}),
234
+ Interval(Real, 0, 0.5, closed="right"),
235
+ ],
236
+ "max_features": [
237
+ Integral,
238
+ Interval(Real, 0, 1, closed="right"),
239
+ ],
240
+ "bootstrap": ["boolean"],
241
+ "n_jobs": [Integral, None],
242
+ "random_state": ["random_state"],
243
+ "verbose": ["verbose"],
244
+ "warm_start": ["boolean"],
245
+ }
246
+
247
+ def __init__(
248
+ self,
249
+ *,
250
+ n_estimators=100,
251
+ max_samples="auto",
252
+ contamination="auto",
253
+ max_features=1.0,
254
+ bootstrap=False,
255
+ n_jobs=None,
256
+ random_state=None,
257
+ verbose=0,
258
+ warm_start=False,
259
+ ):
260
+ super().__init__(
261
+ estimator=None,
262
+ # here above max_features has no links with self.max_features
263
+ bootstrap=bootstrap,
264
+ bootstrap_features=False,
265
+ n_estimators=n_estimators,
266
+ max_samples=max_samples,
267
+ max_features=max_features,
268
+ warm_start=warm_start,
269
+ n_jobs=n_jobs,
270
+ random_state=random_state,
271
+ verbose=verbose,
272
+ )
273
+
274
+ self.contamination = contamination
275
+
276
+ def _get_estimator(self):
277
+ return ExtraTreeRegressor(
278
+ # here max_features has no links with self.max_features
279
+ max_features=1,
280
+ splitter="random",
281
+ random_state=self.random_state,
282
+ )
283
+
284
+ def _set_oob_score(self, X, y):
285
+ raise NotImplementedError("OOB score not supported by iforest")
286
+
287
+ def _parallel_args(self):
288
+ # ExtraTreeRegressor releases the GIL, so it's more efficient to use
289
+ # a thread-based backend rather than a process-based backend so as
290
+ # to avoid suffering from communication overhead and extra memory
291
+ # copies. This is only used in the fit method.
292
+ return {"prefer": "threads"}
293
+
294
+ @_fit_context(prefer_skip_nested_validation=True)
295
+ def fit(self, X, y=None, sample_weight=None):
296
+ """
297
+ Fit estimator.
298
+
299
+ Parameters
300
+ ----------
301
+ X : {array-like, sparse matrix} of shape (n_samples, n_features)
302
+ The input samples. Use ``dtype=np.float32`` for maximum
303
+ efficiency. Sparse matrices are also supported, use sparse
304
+ ``csc_matrix`` for maximum efficiency.
305
+
306
+ y : Ignored
307
+ Not used, present for API consistency by convention.
308
+
309
+ sample_weight : array-like of shape (n_samples,), default=None
310
+ Sample weights. If None, then samples are equally weighted.
311
+
312
+ Returns
313
+ -------
314
+ self : object
315
+ Fitted estimator.
316
+ """
317
+ X = validate_data(
318
+ self, X, accept_sparse=["csc"], dtype=tree_dtype, ensure_all_finite=False
319
+ )
320
+ if issparse(X):
321
+ # Pre-sort indices to avoid that each individual tree of the
322
+ # ensemble sorts the indices.
323
+ X.sort_indices()
324
+
325
+ rnd = check_random_state(self.random_state)
326
+ y = rnd.uniform(size=X.shape[0])
327
+
328
+ # ensure that max_sample is in [1, n_samples]:
329
+ n_samples = X.shape[0]
330
+
331
+ if isinstance(self.max_samples, str) and self.max_samples == "auto":
332
+ max_samples = min(256, n_samples)
333
+
334
+ elif isinstance(self.max_samples, numbers.Integral):
335
+ if self.max_samples > n_samples:
336
+ warn(
337
+ "max_samples (%s) is greater than the "
338
+ "total number of samples (%s). max_samples "
339
+ "will be set to n_samples for estimation."
340
+ % (self.max_samples, n_samples)
341
+ )
342
+ max_samples = n_samples
343
+ else:
344
+ max_samples = self.max_samples
345
+ else: # max_samples is float
346
+ max_samples = int(self.max_samples * X.shape[0])
347
+
348
+ self.max_samples_ = max_samples
349
+ max_depth = int(np.ceil(np.log2(max(max_samples, 2))))
350
+ super()._fit(
351
+ X,
352
+ y,
353
+ max_samples,
354
+ max_depth=max_depth,
355
+ sample_weight=sample_weight,
356
+ check_input=False,
357
+ )
358
+
359
+ self._average_path_length_per_tree, self._decision_path_lengths = zip(
360
+ *[
361
+ (
362
+ _average_path_length(tree.tree_.n_node_samples),
363
+ tree.tree_.compute_node_depths(),
364
+ )
365
+ for tree in self.estimators_
366
+ ]
367
+ )
368
+
369
+ if self.contamination == "auto":
370
+ # 0.5 plays a special role as described in the original paper.
371
+ # we take the opposite as we consider the opposite of their score.
372
+ self.offset_ = -0.5
373
+ return self
374
+
375
+ # Else, define offset_ wrt contamination parameter
376
+ # To avoid performing input validation a second time we call
377
+ # _score_samples rather than score_samples.
378
+ # _score_samples expects a CSR matrix, so we convert if necessary.
379
+ if issparse(X):
380
+ X = X.tocsr()
381
+ self.offset_ = np.percentile(self._score_samples(X), 100.0 * self.contamination)
382
+
383
+ return self
384
+
385
+ def predict(self, X):
386
+ """
387
+ Predict if a particular sample is an outlier or not.
388
+
389
+ Parameters
390
+ ----------
391
+ X : {array-like, sparse matrix} of shape (n_samples, n_features)
392
+ The input samples. Internally, it will be converted to
393
+ ``dtype=np.float32`` and if a sparse matrix is provided
394
+ to a sparse ``csr_matrix``.
395
+
396
+ Returns
397
+ -------
398
+ is_inlier : ndarray of shape (n_samples,)
399
+ For each observation, tells whether or not (+1 or -1) it should
400
+ be considered as an inlier according to the fitted model.
401
+
402
+ Notes
403
+ -----
404
+ The predict method can be parallelized by setting a joblib context. This
405
+ inherently does NOT use the ``n_jobs`` parameter initialized in the class,
406
+ which is used during ``fit``. This is because, predict may actually be faster
407
+ without parallelization for a small number of samples,
408
+ such as for 1000 samples or less. The user can set the
409
+ number of jobs in the joblib context to control the number of parallel jobs.
410
+
411
+ .. code-block:: python
412
+
413
+ from joblib import parallel_backend
414
+
415
+ # Note, we use threading here as the predict method is not CPU bound.
416
+ with parallel_backend("threading", n_jobs=4):
417
+ model.predict(X)
418
+ """
419
+ check_is_fitted(self)
420
+ decision_func = self.decision_function(X)
421
+ is_inlier = np.ones_like(decision_func, dtype=int)
422
+ is_inlier[decision_func < 0] = -1
423
+ return is_inlier
424
+
425
+ def decision_function(self, X):
426
+ """
427
+ Average anomaly score of X of the base classifiers.
428
+
429
+ The anomaly score of an input sample is computed as
430
+ the mean anomaly score of the trees in the forest.
431
+
432
+ The measure of normality of an observation given a tree is the depth
433
+ of the leaf containing this observation, which is equivalent to
434
+ the number of splittings required to isolate this point. In case of
435
+ several observations n_left in the leaf, the average path length of
436
+ a n_left samples isolation tree is added.
437
+
438
+ Parameters
439
+ ----------
440
+ X : {array-like, sparse matrix} of shape (n_samples, n_features)
441
+ The input samples. Internally, it will be converted to
442
+ ``dtype=np.float32`` and if a sparse matrix is provided
443
+ to a sparse ``csr_matrix``.
444
+
445
+ Returns
446
+ -------
447
+ scores : ndarray of shape (n_samples,)
448
+ The anomaly score of the input samples.
449
+ The lower, the more abnormal. Negative scores represent outliers,
450
+ positive scores represent inliers.
451
+
452
+ Notes
453
+ -----
454
+ The decision_function method can be parallelized by setting a joblib context.
455
+ This inherently does NOT use the ``n_jobs`` parameter initialized in the class,
456
+ which is used during ``fit``. This is because, calculating the score may
457
+ actually be faster without parallelization for a small number of samples,
458
+ such as for 1000 samples or less.
459
+ The user can set the number of jobs in the joblib context to control the
460
+ number of parallel jobs.
461
+
462
+ .. code-block:: python
463
+
464
+ from joblib import parallel_backend
465
+
466
+ # Note, we use threading here as the decision_function method is
467
+ # not CPU bound.
468
+ with parallel_backend("threading", n_jobs=4):
469
+ model.decision_function(X)
470
+ """
471
+ # We subtract self.offset_ to make 0 be the threshold value for being
472
+ # an outlier:
473
+
474
+ return self.score_samples(X) - self.offset_
475
+
476
+ def score_samples(self, X):
477
+ """
478
+ Opposite of the anomaly score defined in the original paper.
479
+
480
+ The anomaly score of an input sample is computed as
481
+ the mean anomaly score of the trees in the forest.
482
+
483
+ The measure of normality of an observation given a tree is the depth
484
+ of the leaf containing this observation, which is equivalent to
485
+ the number of splittings required to isolate this point. In case of
486
+ several observations n_left in the leaf, the average path length of
487
+ a n_left samples isolation tree is added.
488
+
489
+ Parameters
490
+ ----------
491
+ X : {array-like, sparse matrix} of shape (n_samples, n_features)
492
+ The input samples.
493
+
494
+ Returns
495
+ -------
496
+ scores : ndarray of shape (n_samples,)
497
+ The anomaly score of the input samples.
498
+ The lower, the more abnormal.
499
+
500
+ Notes
501
+ -----
502
+ The score function method can be parallelized by setting a joblib context. This
503
+ inherently does NOT use the ``n_jobs`` parameter initialized in the class,
504
+ which is used during ``fit``. This is because, calculating the score may
505
+ actually be faster without parallelization for a small number of samples,
506
+ such as for 1000 samples or less.
507
+ The user can set the number of jobs in the joblib context to control the
508
+ number of parallel jobs.
509
+
510
+ .. code-block:: python
511
+
512
+ from joblib import parallel_backend
513
+
514
+ # Note, we use threading here as the score_samples method is not CPU bound.
515
+ with parallel_backend("threading", n_jobs=4):
516
+ model.score(X)
517
+ """
518
+ # Check data
519
+ X = validate_data(
520
+ self,
521
+ X,
522
+ accept_sparse="csr",
523
+ dtype=tree_dtype,
524
+ reset=False,
525
+ ensure_all_finite=False,
526
+ )
527
+
528
+ return self._score_samples(X)
529
+
530
+ def _score_samples(self, X):
531
+ """Private version of score_samples without input validation.
532
+
533
+ Input validation would remove feature names, so we disable it.
534
+ """
535
+ # Code structure from ForestClassifier/predict_proba
536
+
537
+ check_is_fitted(self)
538
+
539
+ # Take the opposite of the scores as bigger is better (here less abnormal)
540
+ return -self._compute_chunked_score_samples(X)
541
+
542
+ def _compute_chunked_score_samples(self, X):
543
+ n_samples = _num_samples(X)
544
+
545
+ if self._max_features == X.shape[1]:
546
+ subsample_features = False
547
+ else:
548
+ subsample_features = True
549
+
550
+ # We get as many rows as possible within our working_memory budget
551
+ # (defined by sklearn.get_config()['working_memory']) to store
552
+ # self._max_features in each row during computation.
553
+ #
554
+ # Note:
555
+ # - this will get at least 1 row, even if 1 row of score will
556
+ # exceed working_memory.
557
+ # - this does only account for temporary memory usage while loading
558
+ # the data needed to compute the scores -- the returned scores
559
+ # themselves are 1D.
560
+
561
+ chunk_n_rows = get_chunk_n_rows(
562
+ row_bytes=16 * self._max_features, max_n_rows=n_samples
563
+ )
564
+ slices = gen_batches(n_samples, chunk_n_rows)
565
+
566
+ scores = np.zeros(n_samples, order="f")
567
+
568
+ for sl in slices:
569
+ # compute score on the slices of test samples:
570
+ scores[sl] = self._compute_score_samples(X[sl], subsample_features)
571
+
572
+ return scores
573
+
574
+ def _compute_score_samples(self, X, subsample_features):
575
+ """
576
+ Compute the score of each samples in X going through the extra trees.
577
+
578
+ Parameters
579
+ ----------
580
+ X : array-like or sparse matrix
581
+ Data matrix.
582
+
583
+ subsample_features : bool
584
+ Whether features should be subsampled.
585
+
586
+ Returns
587
+ -------
588
+ scores : ndarray of shape (n_samples,)
589
+ The score of each sample in X.
590
+ """
591
+ n_samples = X.shape[0]
592
+
593
+ depths = np.zeros(n_samples, order="f")
594
+
595
+ average_path_length_max_samples = _average_path_length([self._max_samples])
596
+
597
+ # Note: we use default n_jobs value, i.e. sequential computation, which
598
+ # we expect to be more performant that parallelizing for small number
599
+ # of samples, e.g. < 1k samples. Default n_jobs value can be overriden
600
+ # by using joblib.parallel_backend context manager around
601
+ # ._compute_score_samples. Using a higher n_jobs may speed up the
602
+ # computation of the scores, e.g. for > 1k samples. See
603
+ # https://github.com/scikit-learn/scikit-learn/pull/28622 for more
604
+ # details.
605
+ lock = threading.Lock()
606
+ Parallel(
607
+ verbose=self.verbose,
608
+ require="sharedmem",
609
+ )(
610
+ delayed(_parallel_compute_tree_depths)(
611
+ tree,
612
+ X,
613
+ features if subsample_features else None,
614
+ self._decision_path_lengths[tree_idx],
615
+ self._average_path_length_per_tree[tree_idx],
616
+ depths,
617
+ lock,
618
+ )
619
+ for tree_idx, (tree, features) in enumerate(
620
+ zip(self.estimators_, self.estimators_features_)
621
+ )
622
+ )
623
+
624
+ denominator = len(self.estimators_) * average_path_length_max_samples
625
+ scores = 2 ** (
626
+ # For a single training sample, denominator and depth are 0.
627
+ # Therefore, we set the score manually to 1.
628
+ -np.divide(
629
+ depths, denominator, out=np.ones_like(depths), where=denominator != 0
630
+ )
631
+ )
632
+ return scores
633
+
634
+ def __sklearn_tags__(self):
635
+ tags = super().__sklearn_tags__()
636
+ tags.input_tags.allow_nan = True
637
+ return tags
638
+
639
+
640
+ def _average_path_length(n_samples_leaf):
641
+ """
642
+ The average path length in a n_samples iTree, which is equal to
643
+ the average path length of an unsuccessful BST search since the
644
+ latter has the same structure as an isolation tree.
645
+ Parameters
646
+ ----------
647
+ n_samples_leaf : array-like of shape (n_samples,)
648
+ The number of training samples in each test sample leaf, for
649
+ each estimators.
650
+
651
+ Returns
652
+ -------
653
+ average_path_length : ndarray of shape (n_samples,)
654
+ """
655
+
656
+ n_samples_leaf = check_array(n_samples_leaf, ensure_2d=False)
657
+
658
+ n_samples_leaf_shape = n_samples_leaf.shape
659
+ n_samples_leaf = n_samples_leaf.reshape((1, -1))
660
+ average_path_length = np.zeros(n_samples_leaf.shape)
661
+
662
+ mask_1 = n_samples_leaf <= 1
663
+ mask_2 = n_samples_leaf == 2
664
+ not_mask = ~np.logical_or(mask_1, mask_2)
665
+
666
+ average_path_length[mask_1] = 0.0
667
+ average_path_length[mask_2] = 1.0
668
+ average_path_length[not_mask] = (
669
+ 2.0 * (np.log(n_samples_leaf[not_mask] - 1.0) + np.euler_gamma)
670
+ - 2.0 * (n_samples_leaf[not_mask] - 1.0) / n_samples_leaf[not_mask]
671
+ )
672
+
673
+ return average_path_length.reshape(n_samples_leaf_shape)
openflamingo/lib/python3.10/site-packages/sklearn/ensemble/_weight_boosting.py ADDED
@@ -0,0 +1,1173 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ """Weight Boosting.
2
+
3
+ This module contains weight boosting estimators for both classification and
4
+ regression.
5
+
6
+ The module structure is the following:
7
+
8
+ - The `BaseWeightBoosting` base class implements a common ``fit`` method
9
+ for all the estimators in the module. Regression and classification
10
+ only differ from each other in the loss function that is optimized.
11
+
12
+ - :class:`~sklearn.ensemble.AdaBoostClassifier` implements adaptive boosting
13
+ (AdaBoost-SAMME) for classification problems.
14
+
15
+ - :class:`~sklearn.ensemble.AdaBoostRegressor` implements adaptive boosting
16
+ (AdaBoost.R2) for regression problems.
17
+ """
18
+
19
+ # Authors: The scikit-learn developers
20
+ # SPDX-License-Identifier: BSD-3-Clause
21
+
22
+ import warnings
23
+ from abc import ABCMeta, abstractmethod
24
+ from numbers import Integral, Real
25
+
26
+ import numpy as np
27
+
28
+ from ..base import (
29
+ ClassifierMixin,
30
+ RegressorMixin,
31
+ _fit_context,
32
+ is_classifier,
33
+ is_regressor,
34
+ )
35
+ from ..metrics import accuracy_score, r2_score
36
+ from ..tree import DecisionTreeClassifier, DecisionTreeRegressor
37
+ from ..utils import _safe_indexing, check_random_state
38
+ from ..utils._param_validation import HasMethods, Hidden, Interval, StrOptions
39
+ from ..utils.extmath import softmax, stable_cumsum
40
+ from ..utils.metadata_routing import (
41
+ _raise_for_unsupported_routing,
42
+ _RoutingNotSupportedMixin,
43
+ )
44
+ from ..utils.validation import (
45
+ _check_sample_weight,
46
+ _num_samples,
47
+ check_is_fitted,
48
+ has_fit_parameter,
49
+ validate_data,
50
+ )
51
+ from ._base import BaseEnsemble
52
+
53
+ __all__ = [
54
+ "AdaBoostClassifier",
55
+ "AdaBoostRegressor",
56
+ ]
57
+
58
+
59
+ class BaseWeightBoosting(BaseEnsemble, metaclass=ABCMeta):
60
+ """Base class for AdaBoost estimators.
61
+
62
+ Warning: This class should not be used directly. Use derived classes
63
+ instead.
64
+ """
65
+
66
+ _parameter_constraints: dict = {
67
+ "estimator": [HasMethods(["fit", "predict"]), None],
68
+ "n_estimators": [Interval(Integral, 1, None, closed="left")],
69
+ "learning_rate": [Interval(Real, 0, None, closed="neither")],
70
+ "random_state": ["random_state"],
71
+ }
72
+
73
+ @abstractmethod
74
+ def __init__(
75
+ self,
76
+ estimator=None,
77
+ *,
78
+ n_estimators=50,
79
+ estimator_params=tuple(),
80
+ learning_rate=1.0,
81
+ random_state=None,
82
+ ):
83
+ super().__init__(
84
+ estimator=estimator,
85
+ n_estimators=n_estimators,
86
+ estimator_params=estimator_params,
87
+ )
88
+
89
+ self.learning_rate = learning_rate
90
+ self.random_state = random_state
91
+
92
+ def _check_X(self, X):
93
+ # Only called to validate X in non-fit methods, therefore reset=False
94
+ return validate_data(
95
+ self,
96
+ X,
97
+ accept_sparse=["csr", "csc"],
98
+ ensure_2d=True,
99
+ allow_nd=True,
100
+ dtype=None,
101
+ reset=False,
102
+ )
103
+
104
+ @_fit_context(
105
+ # AdaBoost*.estimator is not validated yet
106
+ prefer_skip_nested_validation=False
107
+ )
108
+ def fit(self, X, y, sample_weight=None):
109
+ """Build a boosted classifier/regressor from the training set (X, y).
110
+
111
+ Parameters
112
+ ----------
113
+ X : {array-like, sparse matrix} of shape (n_samples, n_features)
114
+ The training input samples. Sparse matrix can be CSC, CSR, COO,
115
+ DOK, or LIL. COO, DOK, and LIL are converted to CSR.
116
+
117
+ y : array-like of shape (n_samples,)
118
+ The target values.
119
+
120
+ sample_weight : array-like of shape (n_samples,), default=None
121
+ Sample weights. If None, the sample weights are initialized to
122
+ 1 / n_samples.
123
+
124
+ Returns
125
+ -------
126
+ self : object
127
+ Fitted estimator.
128
+ """
129
+ _raise_for_unsupported_routing(self, "fit", sample_weight=sample_weight)
130
+ X, y = validate_data(
131
+ self,
132
+ X,
133
+ y,
134
+ accept_sparse=["csr", "csc"],
135
+ ensure_2d=True,
136
+ allow_nd=True,
137
+ dtype=None,
138
+ y_numeric=is_regressor(self),
139
+ )
140
+
141
+ sample_weight = _check_sample_weight(
142
+ sample_weight, X, np.float64, copy=True, ensure_non_negative=True
143
+ )
144
+ sample_weight /= sample_weight.sum()
145
+
146
+ # Check parameters
147
+ self._validate_estimator()
148
+
149
+ # Clear any previous fit results
150
+ self.estimators_ = []
151
+ self.estimator_weights_ = np.zeros(self.n_estimators, dtype=np.float64)
152
+ self.estimator_errors_ = np.ones(self.n_estimators, dtype=np.float64)
153
+
154
+ # Initialization of the random number instance that will be used to
155
+ # generate a seed at each iteration
156
+ random_state = check_random_state(self.random_state)
157
+ epsilon = np.finfo(sample_weight.dtype).eps
158
+
159
+ zero_weight_mask = sample_weight == 0.0
160
+ for iboost in range(self.n_estimators):
161
+ # avoid extremely small sample weight, for details see issue #20320
162
+ sample_weight = np.clip(sample_weight, a_min=epsilon, a_max=None)
163
+ # do not clip sample weights that were exactly zero originally
164
+ sample_weight[zero_weight_mask] = 0.0
165
+
166
+ # Boosting step
167
+ sample_weight, estimator_weight, estimator_error = self._boost(
168
+ iboost, X, y, sample_weight, random_state
169
+ )
170
+
171
+ # Early termination
172
+ if sample_weight is None:
173
+ break
174
+ self.estimator_weights_[iboost] = estimator_weight
175
+ self.estimator_errors_[iboost] = estimator_error
176
+
177
+ # Stop if error is zero
178
+ if estimator_error == 0:
179
+ break
180
+
181
+ sample_weight_sum = np.sum(sample_weight)
182
+
183
+ if not np.isfinite(sample_weight_sum):
184
+ warnings.warn(
185
+ (
186
+ "Sample weights have reached infinite values,"
187
+ f" at iteration {iboost}, causing overflow. "
188
+ "Iterations stopped. Try lowering the learning rate."
189
+ ),
190
+ stacklevel=2,
191
+ )
192
+ break
193
+
194
+ # Stop if the sum of sample weights has become non-positive
195
+ if sample_weight_sum <= 0:
196
+ break
197
+
198
+ if iboost < self.n_estimators - 1:
199
+ # Normalize
200
+ sample_weight /= sample_weight_sum
201
+
202
+ return self
203
+
204
+ @abstractmethod
205
+ def _boost(self, iboost, X, y, sample_weight, random_state):
206
+ """Implement a single boost.
207
+
208
+ Warning: This method needs to be overridden by subclasses.
209
+
210
+ Parameters
211
+ ----------
212
+ iboost : int
213
+ The index of the current boost iteration.
214
+
215
+ X : {array-like, sparse matrix} of shape (n_samples, n_features)
216
+ The training input samples. Sparse matrix can be CSC, CSR, COO,
217
+ DOK, or LIL. COO, DOK, and LIL are converted to CSR.
218
+
219
+ y : array-like of shape (n_samples,)
220
+ The target values (class labels).
221
+
222
+ sample_weight : array-like of shape (n_samples,)
223
+ The current sample weights.
224
+
225
+ random_state : RandomState
226
+ The current random number generator
227
+
228
+ Returns
229
+ -------
230
+ sample_weight : array-like of shape (n_samples,) or None
231
+ The reweighted sample weights.
232
+ If None then boosting has terminated early.
233
+
234
+ estimator_weight : float
235
+ The weight for the current boost.
236
+ If None then boosting has terminated early.
237
+
238
+ error : float
239
+ The classification error for the current boost.
240
+ If None then boosting has terminated early.
241
+ """
242
+ pass
243
+
244
+ def staged_score(self, X, y, sample_weight=None):
245
+ """Return staged scores for X, y.
246
+
247
+ This generator method yields the ensemble score after each iteration of
248
+ boosting and therefore allows monitoring, such as to determine the
249
+ score on a test set after each boost.
250
+
251
+ Parameters
252
+ ----------
253
+ X : {array-like, sparse matrix} of shape (n_samples, n_features)
254
+ The training input samples. Sparse matrix can be CSC, CSR, COO,
255
+ DOK, or LIL. COO, DOK, and LIL are converted to CSR.
256
+
257
+ y : array-like of shape (n_samples,)
258
+ Labels for X.
259
+
260
+ sample_weight : array-like of shape (n_samples,), default=None
261
+ Sample weights.
262
+
263
+ Yields
264
+ ------
265
+ z : float
266
+ """
267
+ X = self._check_X(X)
268
+
269
+ for y_pred in self.staged_predict(X):
270
+ if is_classifier(self):
271
+ yield accuracy_score(y, y_pred, sample_weight=sample_weight)
272
+ else:
273
+ yield r2_score(y, y_pred, sample_weight=sample_weight)
274
+
275
+ @property
276
+ def feature_importances_(self):
277
+ """The impurity-based feature importances.
278
+
279
+ The higher, the more important the feature.
280
+ The importance of a feature is computed as the (normalized)
281
+ total reduction of the criterion brought by that feature. It is also
282
+ known as the Gini importance.
283
+
284
+ Warning: impurity-based feature importances can be misleading for
285
+ high cardinality features (many unique values). See
286
+ :func:`sklearn.inspection.permutation_importance` as an alternative.
287
+
288
+ Returns
289
+ -------
290
+ feature_importances_ : ndarray of shape (n_features,)
291
+ The feature importances.
292
+ """
293
+ if self.estimators_ is None or len(self.estimators_) == 0:
294
+ raise ValueError(
295
+ "Estimator not fitted, call `fit` before `feature_importances_`."
296
+ )
297
+
298
+ try:
299
+ norm = self.estimator_weights_.sum()
300
+ return (
301
+ sum(
302
+ weight * clf.feature_importances_
303
+ for weight, clf in zip(self.estimator_weights_, self.estimators_)
304
+ )
305
+ / norm
306
+ )
307
+
308
+ except AttributeError as e:
309
+ raise AttributeError(
310
+ "Unable to compute feature importances "
311
+ "since estimator does not have a "
312
+ "feature_importances_ attribute"
313
+ ) from e
314
+
315
+ def __sklearn_tags__(self):
316
+ tags = super().__sklearn_tags__()
317
+ tags.input_tags.sparse = True
318
+ return tags
319
+
320
+
321
+ def _samme_proba(estimator, n_classes, X):
322
+ """Calculate algorithm 4, step 2, equation c) of Zhu et al [1].
323
+
324
+ References
325
+ ----------
326
+ .. [1] J. Zhu, H. Zou, S. Rosset, T. Hastie, "Multi-class AdaBoost", 2009.
327
+
328
+ """
329
+ proba = estimator.predict_proba(X)
330
+
331
+ # Displace zero probabilities so the log is defined.
332
+ # Also fix negative elements which may occur with
333
+ # negative sample weights.
334
+ np.clip(proba, np.finfo(proba.dtype).eps, None, out=proba)
335
+ log_proba = np.log(proba)
336
+
337
+ return (n_classes - 1) * (
338
+ log_proba - (1.0 / n_classes) * log_proba.sum(axis=1)[:, np.newaxis]
339
+ )
340
+
341
+
342
+ class AdaBoostClassifier(
343
+ _RoutingNotSupportedMixin, ClassifierMixin, BaseWeightBoosting
344
+ ):
345
+ """An AdaBoost classifier.
346
+
347
+ An AdaBoost [1]_ classifier is a meta-estimator that begins by fitting a
348
+ classifier on the original dataset and then fits additional copies of the
349
+ classifier on the same dataset but where the weights of incorrectly
350
+ classified instances are adjusted such that subsequent classifiers focus
351
+ more on difficult cases.
352
+
353
+ This class implements the algorithm based on [2]_.
354
+
355
+ Read more in the :ref:`User Guide <adaboost>`.
356
+
357
+ .. versionadded:: 0.14
358
+
359
+ Parameters
360
+ ----------
361
+ estimator : object, default=None
362
+ The base estimator from which the boosted ensemble is built.
363
+ Support for sample weighting is required, as well as proper
364
+ ``classes_`` and ``n_classes_`` attributes. If ``None``, then
365
+ the base estimator is :class:`~sklearn.tree.DecisionTreeClassifier`
366
+ initialized with `max_depth=1`.
367
+
368
+ .. versionadded:: 1.2
369
+ `base_estimator` was renamed to `estimator`.
370
+
371
+ n_estimators : int, default=50
372
+ The maximum number of estimators at which boosting is terminated.
373
+ In case of perfect fit, the learning procedure is stopped early.
374
+ Values must be in the range `[1, inf)`.
375
+
376
+ learning_rate : float, default=1.0
377
+ Weight applied to each classifier at each boosting iteration. A higher
378
+ learning rate increases the contribution of each classifier. There is
379
+ a trade-off between the `learning_rate` and `n_estimators` parameters.
380
+ Values must be in the range `(0.0, inf)`.
381
+
382
+ algorithm : {'SAMME'}, default='SAMME'
383
+ Use the SAMME discrete boosting algorithm.
384
+
385
+ .. deprecated:: 1.6
386
+ `algorithm` is deprecated and will be removed in version 1.8. This
387
+ estimator only implements the 'SAMME' algorithm.
388
+
389
+ random_state : int, RandomState instance or None, default=None
390
+ Controls the random seed given at each `estimator` at each
391
+ boosting iteration.
392
+ Thus, it is only used when `estimator` exposes a `random_state`.
393
+ Pass an int for reproducible output across multiple function calls.
394
+ See :term:`Glossary <random_state>`.
395
+
396
+ Attributes
397
+ ----------
398
+ estimator_ : estimator
399
+ The base estimator from which the ensemble is grown.
400
+
401
+ .. versionadded:: 1.2
402
+ `base_estimator_` was renamed to `estimator_`.
403
+
404
+ estimators_ : list of classifiers
405
+ The collection of fitted sub-estimators.
406
+
407
+ classes_ : ndarray of shape (n_classes,)
408
+ The classes labels.
409
+
410
+ n_classes_ : int
411
+ The number of classes.
412
+
413
+ estimator_weights_ : ndarray of floats
414
+ Weights for each estimator in the boosted ensemble.
415
+
416
+ estimator_errors_ : ndarray of floats
417
+ Classification error for each estimator in the boosted
418
+ ensemble.
419
+
420
+ feature_importances_ : ndarray of shape (n_features,)
421
+ The impurity-based feature importances if supported by the
422
+ ``estimator`` (when based on decision trees).
423
+
424
+ Warning: impurity-based feature importances can be misleading for
425
+ high cardinality features (many unique values). See
426
+ :func:`sklearn.inspection.permutation_importance` as an alternative.
427
+
428
+ n_features_in_ : int
429
+ Number of features seen during :term:`fit`.
430
+
431
+ .. versionadded:: 0.24
432
+
433
+ feature_names_in_ : ndarray of shape (`n_features_in_`,)
434
+ Names of features seen during :term:`fit`. Defined only when `X`
435
+ has feature names that are all strings.
436
+
437
+ .. versionadded:: 1.0
438
+
439
+ See Also
440
+ --------
441
+ AdaBoostRegressor : An AdaBoost regressor that begins by fitting a
442
+ regressor on the original dataset and then fits additional copies of
443
+ the regressor on the same dataset but where the weights of instances
444
+ are adjusted according to the error of the current prediction.
445
+
446
+ GradientBoostingClassifier : GB builds an additive model in a forward
447
+ stage-wise fashion. Regression trees are fit on the negative gradient
448
+ of the binomial or multinomial deviance loss function. Binary
449
+ classification is a special case where only a single regression tree is
450
+ induced.
451
+
452
+ sklearn.tree.DecisionTreeClassifier : A non-parametric supervised learning
453
+ method used for classification.
454
+ Creates a model that predicts the value of a target variable by
455
+ learning simple decision rules inferred from the data features.
456
+
457
+ References
458
+ ----------
459
+ .. [1] Y. Freund, R. Schapire, "A Decision-Theoretic Generalization of
460
+ on-Line Learning and an Application to Boosting", 1995.
461
+
462
+ .. [2] :doi:`J. Zhu, H. Zou, S. Rosset, T. Hastie, "Multi-class adaboost."
463
+ Statistics and its Interface 2.3 (2009): 349-360.
464
+ <10.4310/SII.2009.v2.n3.a8>`
465
+
466
+ Examples
467
+ --------
468
+ >>> from sklearn.ensemble import AdaBoostClassifier
469
+ >>> from sklearn.datasets import make_classification
470
+ >>> X, y = make_classification(n_samples=1000, n_features=4,
471
+ ... n_informative=2, n_redundant=0,
472
+ ... random_state=0, shuffle=False)
473
+ >>> clf = AdaBoostClassifier(n_estimators=100, random_state=0)
474
+ >>> clf.fit(X, y)
475
+ AdaBoostClassifier(n_estimators=100, random_state=0)
476
+ >>> clf.predict([[0, 0, 0, 0]])
477
+ array([1])
478
+ >>> clf.score(X, y)
479
+ 0.96...
480
+
481
+ For a detailed example of using AdaBoost to fit a sequence of DecisionTrees
482
+ as weaklearners, please refer to
483
+ :ref:`sphx_glr_auto_examples_ensemble_plot_adaboost_multiclass.py`.
484
+
485
+ For a detailed example of using AdaBoost to fit a non-linearly seperable
486
+ classification dataset composed of two Gaussian quantiles clusters, please
487
+ refer to :ref:`sphx_glr_auto_examples_ensemble_plot_adaboost_twoclass.py`.
488
+ """
489
+
490
+ # TODO(1.8): remove "algorithm" entry
491
+ _parameter_constraints: dict = {
492
+ **BaseWeightBoosting._parameter_constraints,
493
+ "algorithm": [StrOptions({"SAMME"}), Hidden(StrOptions({"deprecated"}))],
494
+ }
495
+
496
+ def __init__(
497
+ self,
498
+ estimator=None,
499
+ *,
500
+ n_estimators=50,
501
+ learning_rate=1.0,
502
+ algorithm="deprecated",
503
+ random_state=None,
504
+ ):
505
+ super().__init__(
506
+ estimator=estimator,
507
+ n_estimators=n_estimators,
508
+ learning_rate=learning_rate,
509
+ random_state=random_state,
510
+ )
511
+
512
+ self.algorithm = algorithm
513
+
514
+ def _validate_estimator(self):
515
+ """Check the estimator and set the estimator_ attribute."""
516
+ super()._validate_estimator(default=DecisionTreeClassifier(max_depth=1))
517
+
518
+ if self.algorithm != "deprecated":
519
+ warnings.warn(
520
+ "The parameter 'algorithm' is deprecated in 1.6 and has no effect. "
521
+ "It will be removed in version 1.8.",
522
+ FutureWarning,
523
+ )
524
+
525
+ if not has_fit_parameter(self.estimator_, "sample_weight"):
526
+ raise ValueError(
527
+ f"{self.estimator.__class__.__name__} doesn't support sample_weight."
528
+ )
529
+
530
+ def _boost(self, iboost, X, y, sample_weight, random_state):
531
+ """Implement a single boost.
532
+
533
+ Perform a single boost according to the discrete SAMME algorithm and return the
534
+ updated sample weights.
535
+
536
+ Parameters
537
+ ----------
538
+ iboost : int
539
+ The index of the current boost iteration.
540
+
541
+ X : {array-like, sparse matrix} of shape (n_samples, n_features)
542
+ The training input samples.
543
+
544
+ y : array-like of shape (n_samples,)
545
+ The target values (class labels).
546
+
547
+ sample_weight : array-like of shape (n_samples,)
548
+ The current sample weights.
549
+
550
+ random_state : RandomState instance
551
+ The RandomState instance used if the base estimator accepts a
552
+ `random_state` attribute.
553
+
554
+ Returns
555
+ -------
556
+ sample_weight : array-like of shape (n_samples,) or None
557
+ The reweighted sample weights.
558
+ If None then boosting has terminated early.
559
+
560
+ estimator_weight : float
561
+ The weight for the current boost.
562
+ If None then boosting has terminated early.
563
+
564
+ estimator_error : float
565
+ The classification error for the current boost.
566
+ If None then boosting has terminated early.
567
+ """
568
+ estimator = self._make_estimator(random_state=random_state)
569
+
570
+ estimator.fit(X, y, sample_weight=sample_weight)
571
+
572
+ y_predict = estimator.predict(X)
573
+
574
+ if iboost == 0:
575
+ self.classes_ = getattr(estimator, "classes_", None)
576
+ self.n_classes_ = len(self.classes_)
577
+
578
+ # Instances incorrectly classified
579
+ incorrect = y_predict != y
580
+
581
+ # Error fraction
582
+ estimator_error = np.mean(np.average(incorrect, weights=sample_weight, axis=0))
583
+
584
+ # Stop if classification is perfect
585
+ if estimator_error <= 0:
586
+ return sample_weight, 1.0, 0.0
587
+
588
+ n_classes = self.n_classes_
589
+
590
+ # Stop if the error is at least as bad as random guessing
591
+ if estimator_error >= 1.0 - (1.0 / n_classes):
592
+ self.estimators_.pop(-1)
593
+ if len(self.estimators_) == 0:
594
+ raise ValueError(
595
+ "BaseClassifier in AdaBoostClassifier "
596
+ "ensemble is worse than random, ensemble "
597
+ "can not be fit."
598
+ )
599
+ return None, None, None
600
+
601
+ # Boost weight using multi-class AdaBoost SAMME alg
602
+ estimator_weight = self.learning_rate * (
603
+ np.log((1.0 - estimator_error) / estimator_error) + np.log(n_classes - 1.0)
604
+ )
605
+
606
+ # Only boost the weights if it will fit again
607
+ if not iboost == self.n_estimators - 1:
608
+ # Only boost positive weights
609
+ sample_weight = np.exp(
610
+ np.log(sample_weight)
611
+ + estimator_weight * incorrect * (sample_weight > 0)
612
+ )
613
+
614
+ return sample_weight, estimator_weight, estimator_error
615
+
616
+ def predict(self, X):
617
+ """Predict classes for X.
618
+
619
+ The predicted class of an input sample is computed as the weighted mean
620
+ prediction of the classifiers in the ensemble.
621
+
622
+ Parameters
623
+ ----------
624
+ X : {array-like, sparse matrix} of shape (n_samples, n_features)
625
+ The training input samples. Sparse matrix can be CSC, CSR, COO,
626
+ DOK, or LIL. COO, DOK, and LIL are converted to CSR.
627
+
628
+ Returns
629
+ -------
630
+ y : ndarray of shape (n_samples,)
631
+ The predicted classes.
632
+ """
633
+ pred = self.decision_function(X)
634
+
635
+ if self.n_classes_ == 2:
636
+ return self.classes_.take(pred > 0, axis=0)
637
+
638
+ return self.classes_.take(np.argmax(pred, axis=1), axis=0)
639
+
640
+ def staged_predict(self, X):
641
+ """Return staged predictions for X.
642
+
643
+ The predicted class of an input sample is computed as the weighted mean
644
+ prediction of the classifiers in the ensemble.
645
+
646
+ This generator method yields the ensemble prediction after each
647
+ iteration of boosting and therefore allows monitoring, such as to
648
+ determine the prediction on a test set after each boost.
649
+
650
+ Parameters
651
+ ----------
652
+ X : array-like of shape (n_samples, n_features)
653
+ The input samples. Sparse matrix can be CSC, CSR, COO,
654
+ DOK, or LIL. COO, DOK, and LIL are converted to CSR.
655
+
656
+ Yields
657
+ ------
658
+ y : generator of ndarray of shape (n_samples,)
659
+ The predicted classes.
660
+ """
661
+ X = self._check_X(X)
662
+
663
+ n_classes = self.n_classes_
664
+ classes = self.classes_
665
+
666
+ if n_classes == 2:
667
+ for pred in self.staged_decision_function(X):
668
+ yield np.array(classes.take(pred > 0, axis=0))
669
+
670
+ else:
671
+ for pred in self.staged_decision_function(X):
672
+ yield np.array(classes.take(np.argmax(pred, axis=1), axis=0))
673
+
674
+ def decision_function(self, X):
675
+ """Compute the decision function of ``X``.
676
+
677
+ Parameters
678
+ ----------
679
+ X : {array-like, sparse matrix} of shape (n_samples, n_features)
680
+ The training input samples. Sparse matrix can be CSC, CSR, COO,
681
+ DOK, or LIL. COO, DOK, and LIL are converted to CSR.
682
+
683
+ Returns
684
+ -------
685
+ score : ndarray of shape of (n_samples, k)
686
+ The decision function of the input samples. The order of
687
+ outputs is the same as that of the :term:`classes_` attribute.
688
+ Binary classification is a special cases with ``k == 1``,
689
+ otherwise ``k==n_classes``. For binary classification,
690
+ values closer to -1 or 1 mean more like the first or second
691
+ class in ``classes_``, respectively.
692
+ """
693
+ check_is_fitted(self)
694
+ X = self._check_X(X)
695
+
696
+ n_classes = self.n_classes_
697
+ classes = self.classes_[:, np.newaxis]
698
+
699
+ if n_classes == 1:
700
+ return np.zeros_like(X, shape=(X.shape[0], 1))
701
+
702
+ pred = sum(
703
+ np.where(
704
+ (estimator.predict(X) == classes).T,
705
+ w,
706
+ -1 / (n_classes - 1) * w,
707
+ )
708
+ for estimator, w in zip(self.estimators_, self.estimator_weights_)
709
+ )
710
+
711
+ pred /= self.estimator_weights_.sum()
712
+ if n_classes == 2:
713
+ pred[:, 0] *= -1
714
+ return pred.sum(axis=1)
715
+ return pred
716
+
717
+ def staged_decision_function(self, X):
718
+ """Compute decision function of ``X`` for each boosting iteration.
719
+
720
+ This method allows monitoring (i.e. determine error on testing set)
721
+ after each boosting iteration.
722
+
723
+ Parameters
724
+ ----------
725
+ X : {array-like, sparse matrix} of shape (n_samples, n_features)
726
+ The training input samples. Sparse matrix can be CSC, CSR, COO,
727
+ DOK, or LIL. COO, DOK, and LIL are converted to CSR.
728
+
729
+ Yields
730
+ ------
731
+ score : generator of ndarray of shape (n_samples, k)
732
+ The decision function of the input samples. The order of
733
+ outputs is the same of that of the :term:`classes_` attribute.
734
+ Binary classification is a special cases with ``k == 1``,
735
+ otherwise ``k==n_classes``. For binary classification,
736
+ values closer to -1 or 1 mean more like the first or second
737
+ class in ``classes_``, respectively.
738
+ """
739
+ check_is_fitted(self)
740
+ X = self._check_X(X)
741
+
742
+ n_classes = self.n_classes_
743
+ classes = self.classes_[:, np.newaxis]
744
+ pred = None
745
+ norm = 0.0
746
+
747
+ for weight, estimator in zip(self.estimator_weights_, self.estimators_):
748
+ norm += weight
749
+
750
+ current_pred = np.where(
751
+ (estimator.predict(X) == classes).T,
752
+ weight,
753
+ -1 / (n_classes - 1) * weight,
754
+ )
755
+
756
+ if pred is None:
757
+ pred = current_pred
758
+ else:
759
+ pred += current_pred
760
+
761
+ if n_classes == 2:
762
+ tmp_pred = np.copy(pred)
763
+ tmp_pred[:, 0] *= -1
764
+ yield (tmp_pred / norm).sum(axis=1)
765
+ else:
766
+ yield pred / norm
767
+
768
+ @staticmethod
769
+ def _compute_proba_from_decision(decision, n_classes):
770
+ """Compute probabilities from the decision function.
771
+
772
+ This is based eq. (15) of [1] where:
773
+ p(y=c|X) = exp((1 / K-1) f_c(X)) / sum_k(exp((1 / K-1) f_k(X)))
774
+ = softmax((1 / K-1) * f(X))
775
+
776
+ References
777
+ ----------
778
+ .. [1] J. Zhu, H. Zou, S. Rosset, T. Hastie, "Multi-class AdaBoost",
779
+ 2009.
780
+ """
781
+ if n_classes == 2:
782
+ decision = np.vstack([-decision, decision]).T / 2
783
+ else:
784
+ decision /= n_classes - 1
785
+ return softmax(decision, copy=False)
786
+
787
+ def predict_proba(self, X):
788
+ """Predict class probabilities for X.
789
+
790
+ The predicted class probabilities of an input sample is computed as
791
+ the weighted mean predicted class probabilities of the classifiers
792
+ in the ensemble.
793
+
794
+ Parameters
795
+ ----------
796
+ X : {array-like, sparse matrix} of shape (n_samples, n_features)
797
+ The training input samples. Sparse matrix can be CSC, CSR, COO,
798
+ DOK, or LIL. COO, DOK, and LIL are converted to CSR.
799
+
800
+ Returns
801
+ -------
802
+ p : ndarray of shape (n_samples, n_classes)
803
+ The class probabilities of the input samples. The order of
804
+ outputs is the same of that of the :term:`classes_` attribute.
805
+ """
806
+ check_is_fitted(self)
807
+ n_classes = self.n_classes_
808
+
809
+ if n_classes == 1:
810
+ return np.ones((_num_samples(X), 1))
811
+
812
+ decision = self.decision_function(X)
813
+ return self._compute_proba_from_decision(decision, n_classes)
814
+
815
+ def staged_predict_proba(self, X):
816
+ """Predict class probabilities for X.
817
+
818
+ The predicted class probabilities of an input sample is computed as
819
+ the weighted mean predicted class probabilities of the classifiers
820
+ in the ensemble.
821
+
822
+ This generator method yields the ensemble predicted class probabilities
823
+ after each iteration of boosting and therefore allows monitoring, such
824
+ as to determine the predicted class probabilities on a test set after
825
+ each boost.
826
+
827
+ Parameters
828
+ ----------
829
+ X : {array-like, sparse matrix} of shape (n_samples, n_features)
830
+ The training input samples. Sparse matrix can be CSC, CSR, COO,
831
+ DOK, or LIL. COO, DOK, and LIL are converted to CSR.
832
+
833
+ Yields
834
+ ------
835
+ p : generator of ndarray of shape (n_samples,)
836
+ The class probabilities of the input samples. The order of
837
+ outputs is the same of that of the :term:`classes_` attribute.
838
+ """
839
+
840
+ n_classes = self.n_classes_
841
+
842
+ for decision in self.staged_decision_function(X):
843
+ yield self._compute_proba_from_decision(decision, n_classes)
844
+
845
+ def predict_log_proba(self, X):
846
+ """Predict class log-probabilities for X.
847
+
848
+ The predicted class log-probabilities of an input sample is computed as
849
+ the weighted mean predicted class log-probabilities of the classifiers
850
+ in the ensemble.
851
+
852
+ Parameters
853
+ ----------
854
+ X : {array-like, sparse matrix} of shape (n_samples, n_features)
855
+ The training input samples. Sparse matrix can be CSC, CSR, COO,
856
+ DOK, or LIL. COO, DOK, and LIL are converted to CSR.
857
+
858
+ Returns
859
+ -------
860
+ p : ndarray of shape (n_samples, n_classes)
861
+ The class probabilities of the input samples. The order of
862
+ outputs is the same of that of the :term:`classes_` attribute.
863
+ """
864
+ return np.log(self.predict_proba(X))
865
+
866
+
867
+ class AdaBoostRegressor(_RoutingNotSupportedMixin, RegressorMixin, BaseWeightBoosting):
868
+ """An AdaBoost regressor.
869
+
870
+ An AdaBoost [1] regressor is a meta-estimator that begins by fitting a
871
+ regressor on the original dataset and then fits additional copies of the
872
+ regressor on the same dataset but where the weights of instances are
873
+ adjusted according to the error of the current prediction. As such,
874
+ subsequent regressors focus more on difficult cases.
875
+
876
+ This class implements the algorithm known as AdaBoost.R2 [2].
877
+
878
+ Read more in the :ref:`User Guide <adaboost>`.
879
+
880
+ .. versionadded:: 0.14
881
+
882
+ Parameters
883
+ ----------
884
+ estimator : object, default=None
885
+ The base estimator from which the boosted ensemble is built.
886
+ If ``None``, then the base estimator is
887
+ :class:`~sklearn.tree.DecisionTreeRegressor` initialized with
888
+ `max_depth=3`.
889
+
890
+ .. versionadded:: 1.2
891
+ `base_estimator` was renamed to `estimator`.
892
+
893
+ n_estimators : int, default=50
894
+ The maximum number of estimators at which boosting is terminated.
895
+ In case of perfect fit, the learning procedure is stopped early.
896
+ Values must be in the range `[1, inf)`.
897
+
898
+ learning_rate : float, default=1.0
899
+ Weight applied to each regressor at each boosting iteration. A higher
900
+ learning rate increases the contribution of each regressor. There is
901
+ a trade-off between the `learning_rate` and `n_estimators` parameters.
902
+ Values must be in the range `(0.0, inf)`.
903
+
904
+ loss : {'linear', 'square', 'exponential'}, default='linear'
905
+ The loss function to use when updating the weights after each
906
+ boosting iteration.
907
+
908
+ random_state : int, RandomState instance or None, default=None
909
+ Controls the random seed given at each `estimator` at each
910
+ boosting iteration.
911
+ Thus, it is only used when `estimator` exposes a `random_state`.
912
+ In addition, it controls the bootstrap of the weights used to train the
913
+ `estimator` at each boosting iteration.
914
+ Pass an int for reproducible output across multiple function calls.
915
+ See :term:`Glossary <random_state>`.
916
+
917
+ Attributes
918
+ ----------
919
+ estimator_ : estimator
920
+ The base estimator from which the ensemble is grown.
921
+
922
+ .. versionadded:: 1.2
923
+ `base_estimator_` was renamed to `estimator_`.
924
+
925
+ estimators_ : list of regressors
926
+ The collection of fitted sub-estimators.
927
+
928
+ estimator_weights_ : ndarray of floats
929
+ Weights for each estimator in the boosted ensemble.
930
+
931
+ estimator_errors_ : ndarray of floats
932
+ Regression error for each estimator in the boosted ensemble.
933
+
934
+ feature_importances_ : ndarray of shape (n_features,)
935
+ The impurity-based feature importances if supported by the
936
+ ``estimator`` (when based on decision trees).
937
+
938
+ Warning: impurity-based feature importances can be misleading for
939
+ high cardinality features (many unique values). See
940
+ :func:`sklearn.inspection.permutation_importance` as an alternative.
941
+
942
+ n_features_in_ : int
943
+ Number of features seen during :term:`fit`.
944
+
945
+ .. versionadded:: 0.24
946
+
947
+ feature_names_in_ : ndarray of shape (`n_features_in_`,)
948
+ Names of features seen during :term:`fit`. Defined only when `X`
949
+ has feature names that are all strings.
950
+
951
+ .. versionadded:: 1.0
952
+
953
+ See Also
954
+ --------
955
+ AdaBoostClassifier : An AdaBoost classifier.
956
+ GradientBoostingRegressor : Gradient Boosting Classification Tree.
957
+ sklearn.tree.DecisionTreeRegressor : A decision tree regressor.
958
+
959
+ References
960
+ ----------
961
+ .. [1] Y. Freund, R. Schapire, "A Decision-Theoretic Generalization of
962
+ on-Line Learning and an Application to Boosting", 1995.
963
+
964
+ .. [2] H. Drucker, "Improving Regressors using Boosting Techniques", 1997.
965
+
966
+ Examples
967
+ --------
968
+ >>> from sklearn.ensemble import AdaBoostRegressor
969
+ >>> from sklearn.datasets import make_regression
970
+ >>> X, y = make_regression(n_features=4, n_informative=2,
971
+ ... random_state=0, shuffle=False)
972
+ >>> regr = AdaBoostRegressor(random_state=0, n_estimators=100)
973
+ >>> regr.fit(X, y)
974
+ AdaBoostRegressor(n_estimators=100, random_state=0)
975
+ >>> regr.predict([[0, 0, 0, 0]])
976
+ array([4.7972...])
977
+ >>> regr.score(X, y)
978
+ 0.9771...
979
+
980
+ For a detailed example of utilizing :class:`~sklearn.ensemble.AdaBoostRegressor`
981
+ to fit a sequence of decision trees as weak learners, please refer to
982
+ :ref:`sphx_glr_auto_examples_ensemble_plot_adaboost_regression.py`.
983
+ """
984
+
985
+ _parameter_constraints: dict = {
986
+ **BaseWeightBoosting._parameter_constraints,
987
+ "loss": [StrOptions({"linear", "square", "exponential"})],
988
+ }
989
+
990
+ def __init__(
991
+ self,
992
+ estimator=None,
993
+ *,
994
+ n_estimators=50,
995
+ learning_rate=1.0,
996
+ loss="linear",
997
+ random_state=None,
998
+ ):
999
+ super().__init__(
1000
+ estimator=estimator,
1001
+ n_estimators=n_estimators,
1002
+ learning_rate=learning_rate,
1003
+ random_state=random_state,
1004
+ )
1005
+
1006
+ self.loss = loss
1007
+ self.random_state = random_state
1008
+
1009
+ def _validate_estimator(self):
1010
+ """Check the estimator and set the estimator_ attribute."""
1011
+ super()._validate_estimator(default=DecisionTreeRegressor(max_depth=3))
1012
+
1013
+ def _boost(self, iboost, X, y, sample_weight, random_state):
1014
+ """Implement a single boost for regression
1015
+
1016
+ Perform a single boost according to the AdaBoost.R2 algorithm and
1017
+ return the updated sample weights.
1018
+
1019
+ Parameters
1020
+ ----------
1021
+ iboost : int
1022
+ The index of the current boost iteration.
1023
+
1024
+ X : {array-like, sparse matrix} of shape (n_samples, n_features)
1025
+ The training input samples.
1026
+
1027
+ y : array-like of shape (n_samples,)
1028
+ The target values (class labels in classification, real numbers in
1029
+ regression).
1030
+
1031
+ sample_weight : array-like of shape (n_samples,)
1032
+ The current sample weights.
1033
+
1034
+ random_state : RandomState
1035
+ The RandomState instance used if the base estimator accepts a
1036
+ `random_state` attribute.
1037
+ Controls also the bootstrap of the weights used to train the weak
1038
+ learner.
1039
+
1040
+ Returns
1041
+ -------
1042
+ sample_weight : array-like of shape (n_samples,) or None
1043
+ The reweighted sample weights.
1044
+ If None then boosting has terminated early.
1045
+
1046
+ estimator_weight : float
1047
+ The weight for the current boost.
1048
+ If None then boosting has terminated early.
1049
+
1050
+ estimator_error : float
1051
+ The regression error for the current boost.
1052
+ If None then boosting has terminated early.
1053
+ """
1054
+ estimator = self._make_estimator(random_state=random_state)
1055
+
1056
+ # Weighted sampling of the training set with replacement
1057
+ bootstrap_idx = random_state.choice(
1058
+ np.arange(_num_samples(X)),
1059
+ size=_num_samples(X),
1060
+ replace=True,
1061
+ p=sample_weight,
1062
+ )
1063
+
1064
+ # Fit on the bootstrapped sample and obtain a prediction
1065
+ # for all samples in the training set
1066
+ X_ = _safe_indexing(X, bootstrap_idx)
1067
+ y_ = _safe_indexing(y, bootstrap_idx)
1068
+ estimator.fit(X_, y_)
1069
+ y_predict = estimator.predict(X)
1070
+
1071
+ error_vect = np.abs(y_predict - y)
1072
+ sample_mask = sample_weight > 0
1073
+ masked_sample_weight = sample_weight[sample_mask]
1074
+ masked_error_vector = error_vect[sample_mask]
1075
+
1076
+ error_max = masked_error_vector.max()
1077
+ if error_max != 0:
1078
+ masked_error_vector /= error_max
1079
+
1080
+ if self.loss == "square":
1081
+ masked_error_vector **= 2
1082
+ elif self.loss == "exponential":
1083
+ masked_error_vector = 1.0 - np.exp(-masked_error_vector)
1084
+
1085
+ # Calculate the average loss
1086
+ estimator_error = (masked_sample_weight * masked_error_vector).sum()
1087
+
1088
+ if estimator_error <= 0:
1089
+ # Stop if fit is perfect
1090
+ return sample_weight, 1.0, 0.0
1091
+
1092
+ elif estimator_error >= 0.5:
1093
+ # Discard current estimator only if it isn't the only one
1094
+ if len(self.estimators_) > 1:
1095
+ self.estimators_.pop(-1)
1096
+ return None, None, None
1097
+
1098
+ beta = estimator_error / (1.0 - estimator_error)
1099
+
1100
+ # Boost weight using AdaBoost.R2 alg
1101
+ estimator_weight = self.learning_rate * np.log(1.0 / beta)
1102
+
1103
+ if not iboost == self.n_estimators - 1:
1104
+ sample_weight[sample_mask] *= np.power(
1105
+ beta, (1.0 - masked_error_vector) * self.learning_rate
1106
+ )
1107
+
1108
+ return sample_weight, estimator_weight, estimator_error
1109
+
1110
+ def _get_median_predict(self, X, limit):
1111
+ # Evaluate predictions of all estimators
1112
+ predictions = np.array([est.predict(X) for est in self.estimators_[:limit]]).T
1113
+
1114
+ # Sort the predictions
1115
+ sorted_idx = np.argsort(predictions, axis=1)
1116
+
1117
+ # Find index of median prediction for each sample
1118
+ weight_cdf = stable_cumsum(self.estimator_weights_[sorted_idx], axis=1)
1119
+ median_or_above = weight_cdf >= 0.5 * weight_cdf[:, -1][:, np.newaxis]
1120
+ median_idx = median_or_above.argmax(axis=1)
1121
+
1122
+ median_estimators = sorted_idx[np.arange(_num_samples(X)), median_idx]
1123
+
1124
+ # Return median predictions
1125
+ return predictions[np.arange(_num_samples(X)), median_estimators]
1126
+
1127
+ def predict(self, X):
1128
+ """Predict regression value for X.
1129
+
1130
+ The predicted regression value of an input sample is computed
1131
+ as the weighted median prediction of the regressors in the ensemble.
1132
+
1133
+ Parameters
1134
+ ----------
1135
+ X : {array-like, sparse matrix} of shape (n_samples, n_features)
1136
+ The training input samples. Sparse matrix can be CSC, CSR, COO,
1137
+ DOK, or LIL. COO, DOK, and LIL are converted to CSR.
1138
+
1139
+ Returns
1140
+ -------
1141
+ y : ndarray of shape (n_samples,)
1142
+ The predicted regression values.
1143
+ """
1144
+ check_is_fitted(self)
1145
+ X = self._check_X(X)
1146
+
1147
+ return self._get_median_predict(X, len(self.estimators_))
1148
+
1149
+ def staged_predict(self, X):
1150
+ """Return staged predictions for X.
1151
+
1152
+ The predicted regression value of an input sample is computed
1153
+ as the weighted median prediction of the regressors in the ensemble.
1154
+
1155
+ This generator method yields the ensemble prediction after each
1156
+ iteration of boosting and therefore allows monitoring, such as to
1157
+ determine the prediction on a test set after each boost.
1158
+
1159
+ Parameters
1160
+ ----------
1161
+ X : {array-like, sparse matrix} of shape (n_samples, n_features)
1162
+ The training input samples.
1163
+
1164
+ Yields
1165
+ ------
1166
+ y : generator of ndarray of shape (n_samples,)
1167
+ The predicted regression values.
1168
+ """
1169
+ check_is_fitted(self)
1170
+ X = self._check_X(X)
1171
+
1172
+ for i, _ in enumerate(self.estimators_, 1):
1173
+ yield self._get_median_predict(X, limit=i)
openflamingo/lib/python3.10/site-packages/sklearn/ensemble/meson.build ADDED
@@ -0,0 +1,10 @@
 
 
 
 
 
 
 
 
 
 
 
1
+ py.extension_module(
2
+ '_gradient_boosting',
3
+ ['_gradient_boosting.pyx'] + utils_cython_tree,
4
+ dependencies: [np_dep],
5
+ cython_args: cython_args,
6
+ subdir: 'sklearn/ensemble',
7
+ install: true
8
+ )
9
+
10
+ subdir('_hist_gradient_boosting')
openflamingo/lib/python3.10/site-packages/sklearn/ensemble/tests/__init__.py ADDED
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1
+ """
2
+ Testing for the bagging ensemble module (sklearn.ensemble.bagging).
3
+ """
4
+
5
+ # Authors: The scikit-learn developers
6
+ # SPDX-License-Identifier: BSD-3-Clause
7
+
8
+ from itertools import cycle, product
9
+
10
+ import joblib
11
+ import numpy as np
12
+ import pytest
13
+
14
+ import sklearn
15
+ from sklearn.base import BaseEstimator
16
+ from sklearn.datasets import load_diabetes, load_iris, make_hastie_10_2
17
+ from sklearn.dummy import DummyClassifier, DummyRegressor
18
+ from sklearn.ensemble import (
19
+ AdaBoostClassifier,
20
+ AdaBoostRegressor,
21
+ BaggingClassifier,
22
+ BaggingRegressor,
23
+ HistGradientBoostingClassifier,
24
+ HistGradientBoostingRegressor,
25
+ RandomForestClassifier,
26
+ RandomForestRegressor,
27
+ )
28
+ from sklearn.feature_selection import SelectKBest
29
+ from sklearn.linear_model import LogisticRegression, Perceptron
30
+ from sklearn.model_selection import GridSearchCV, ParameterGrid, train_test_split
31
+ from sklearn.neighbors import KNeighborsClassifier, KNeighborsRegressor
32
+ from sklearn.pipeline import make_pipeline
33
+ from sklearn.preprocessing import FunctionTransformer, scale
34
+ from sklearn.random_projection import SparseRandomProjection
35
+ from sklearn.svm import SVC, SVR
36
+ from sklearn.tree import DecisionTreeClassifier, DecisionTreeRegressor
37
+ from sklearn.utils import check_random_state
38
+ from sklearn.utils._testing import assert_array_almost_equal, assert_array_equal
39
+ from sklearn.utils.fixes import CSC_CONTAINERS, CSR_CONTAINERS
40
+
41
+ rng = check_random_state(0)
42
+
43
+ # also load the iris dataset
44
+ # and randomly permute it
45
+ iris = load_iris()
46
+ perm = rng.permutation(iris.target.size)
47
+ iris.data = iris.data[perm]
48
+ iris.target = iris.target[perm]
49
+
50
+ # also load the diabetes dataset
51
+ # and randomly permute it
52
+ diabetes = load_diabetes()
53
+ perm = rng.permutation(diabetes.target.size)
54
+ diabetes.data = diabetes.data[perm]
55
+ diabetes.target = diabetes.target[perm]
56
+
57
+
58
+ def test_classification():
59
+ # Check classification for various parameter settings.
60
+ rng = check_random_state(0)
61
+ X_train, X_test, y_train, y_test = train_test_split(
62
+ iris.data, iris.target, random_state=rng
63
+ )
64
+ grid = ParameterGrid(
65
+ {
66
+ "max_samples": [0.5, 1.0],
67
+ "max_features": [1, 4],
68
+ "bootstrap": [True, False],
69
+ "bootstrap_features": [True, False],
70
+ }
71
+ )
72
+ estimators = [
73
+ None,
74
+ DummyClassifier(),
75
+ Perceptron(max_iter=20),
76
+ DecisionTreeClassifier(max_depth=2),
77
+ KNeighborsClassifier(),
78
+ SVC(),
79
+ ]
80
+ # Try different parameter settings with different base classifiers without
81
+ # doing the full cartesian product to keep the test durations low.
82
+ for params, estimator in zip(grid, cycle(estimators)):
83
+ BaggingClassifier(
84
+ estimator=estimator,
85
+ random_state=rng,
86
+ n_estimators=2,
87
+ **params,
88
+ ).fit(X_train, y_train).predict(X_test)
89
+
90
+
91
+ @pytest.mark.parametrize(
92
+ "sparse_container, params, method",
93
+ product(
94
+ CSR_CONTAINERS + CSC_CONTAINERS,
95
+ [
96
+ {
97
+ "max_samples": 0.5,
98
+ "max_features": 2,
99
+ "bootstrap": True,
100
+ "bootstrap_features": True,
101
+ },
102
+ {
103
+ "max_samples": 1.0,
104
+ "max_features": 4,
105
+ "bootstrap": True,
106
+ "bootstrap_features": True,
107
+ },
108
+ {"max_features": 2, "bootstrap": False, "bootstrap_features": True},
109
+ {"max_samples": 0.5, "bootstrap": True, "bootstrap_features": False},
110
+ ],
111
+ ["predict", "predict_proba", "predict_log_proba", "decision_function"],
112
+ ),
113
+ )
114
+ def test_sparse_classification(sparse_container, params, method):
115
+ # Check classification for various parameter settings on sparse input.
116
+
117
+ class CustomSVC(SVC):
118
+ """SVC variant that records the nature of the training set"""
119
+
120
+ def fit(self, X, y):
121
+ super().fit(X, y)
122
+ self.data_type_ = type(X)
123
+ return self
124
+
125
+ rng = check_random_state(0)
126
+ X_train, X_test, y_train, y_test = train_test_split(
127
+ scale(iris.data), iris.target, random_state=rng
128
+ )
129
+
130
+ X_train_sparse = sparse_container(X_train)
131
+ X_test_sparse = sparse_container(X_test)
132
+ # Trained on sparse format
133
+ sparse_classifier = BaggingClassifier(
134
+ estimator=CustomSVC(kernel="linear", decision_function_shape="ovr"),
135
+ random_state=1,
136
+ **params,
137
+ ).fit(X_train_sparse, y_train)
138
+ sparse_results = getattr(sparse_classifier, method)(X_test_sparse)
139
+
140
+ # Trained on dense format
141
+ dense_classifier = BaggingClassifier(
142
+ estimator=CustomSVC(kernel="linear", decision_function_shape="ovr"),
143
+ random_state=1,
144
+ **params,
145
+ ).fit(X_train, y_train)
146
+ dense_results = getattr(dense_classifier, method)(X_test)
147
+ assert_array_almost_equal(sparse_results, dense_results)
148
+
149
+ sparse_type = type(X_train_sparse)
150
+ types = [i.data_type_ for i in sparse_classifier.estimators_]
151
+
152
+ assert all([t == sparse_type for t in types])
153
+
154
+
155
+ def test_regression():
156
+ # Check regression for various parameter settings.
157
+ rng = check_random_state(0)
158
+ X_train, X_test, y_train, y_test = train_test_split(
159
+ diabetes.data[:50], diabetes.target[:50], random_state=rng
160
+ )
161
+ grid = ParameterGrid(
162
+ {
163
+ "max_samples": [0.5, 1.0],
164
+ "max_features": [0.5, 1.0],
165
+ "bootstrap": [True, False],
166
+ "bootstrap_features": [True, False],
167
+ }
168
+ )
169
+
170
+ for estimator in [
171
+ None,
172
+ DummyRegressor(),
173
+ DecisionTreeRegressor(),
174
+ KNeighborsRegressor(),
175
+ SVR(),
176
+ ]:
177
+ for params in grid:
178
+ BaggingRegressor(estimator=estimator, random_state=rng, **params).fit(
179
+ X_train, y_train
180
+ ).predict(X_test)
181
+
182
+
183
+ @pytest.mark.parametrize("sparse_container", CSR_CONTAINERS + CSC_CONTAINERS)
184
+ def test_sparse_regression(sparse_container):
185
+ # Check regression for various parameter settings on sparse input.
186
+ rng = check_random_state(0)
187
+ X_train, X_test, y_train, y_test = train_test_split(
188
+ diabetes.data[:50], diabetes.target[:50], random_state=rng
189
+ )
190
+
191
+ class CustomSVR(SVR):
192
+ """SVC variant that records the nature of the training set"""
193
+
194
+ def fit(self, X, y):
195
+ super().fit(X, y)
196
+ self.data_type_ = type(X)
197
+ return self
198
+
199
+ parameter_sets = [
200
+ {
201
+ "max_samples": 0.5,
202
+ "max_features": 2,
203
+ "bootstrap": True,
204
+ "bootstrap_features": True,
205
+ },
206
+ {
207
+ "max_samples": 1.0,
208
+ "max_features": 4,
209
+ "bootstrap": True,
210
+ "bootstrap_features": True,
211
+ },
212
+ {"max_features": 2, "bootstrap": False, "bootstrap_features": True},
213
+ {"max_samples": 0.5, "bootstrap": True, "bootstrap_features": False},
214
+ ]
215
+
216
+ X_train_sparse = sparse_container(X_train)
217
+ X_test_sparse = sparse_container(X_test)
218
+ for params in parameter_sets:
219
+ # Trained on sparse format
220
+ sparse_classifier = BaggingRegressor(
221
+ estimator=CustomSVR(), random_state=1, **params
222
+ ).fit(X_train_sparse, y_train)
223
+ sparse_results = sparse_classifier.predict(X_test_sparse)
224
+
225
+ # Trained on dense format
226
+ dense_results = (
227
+ BaggingRegressor(estimator=CustomSVR(), random_state=1, **params)
228
+ .fit(X_train, y_train)
229
+ .predict(X_test)
230
+ )
231
+
232
+ sparse_type = type(X_train_sparse)
233
+ types = [i.data_type_ for i in sparse_classifier.estimators_]
234
+
235
+ assert_array_almost_equal(sparse_results, dense_results)
236
+ assert all([t == sparse_type for t in types])
237
+ assert_array_almost_equal(sparse_results, dense_results)
238
+
239
+
240
+ class DummySizeEstimator(BaseEstimator):
241
+ def fit(self, X, y):
242
+ self.training_size_ = X.shape[0]
243
+ self.training_hash_ = joblib.hash(X)
244
+
245
+ def predict(self, X):
246
+ return np.ones(X.shape[0])
247
+
248
+
249
+ def test_bootstrap_samples():
250
+ # Test that bootstrapping samples generate non-perfect base estimators.
251
+ rng = check_random_state(0)
252
+ X_train, X_test, y_train, y_test = train_test_split(
253
+ diabetes.data, diabetes.target, random_state=rng
254
+ )
255
+
256
+ estimator = DecisionTreeRegressor().fit(X_train, y_train)
257
+
258
+ # without bootstrap, all trees are perfect on the training set
259
+ ensemble = BaggingRegressor(
260
+ estimator=DecisionTreeRegressor(),
261
+ max_samples=1.0,
262
+ bootstrap=False,
263
+ random_state=rng,
264
+ ).fit(X_train, y_train)
265
+
266
+ assert estimator.score(X_train, y_train) == ensemble.score(X_train, y_train)
267
+
268
+ # with bootstrap, trees are no longer perfect on the training set
269
+ ensemble = BaggingRegressor(
270
+ estimator=DecisionTreeRegressor(),
271
+ max_samples=1.0,
272
+ bootstrap=True,
273
+ random_state=rng,
274
+ ).fit(X_train, y_train)
275
+
276
+ assert estimator.score(X_train, y_train) > ensemble.score(X_train, y_train)
277
+
278
+ # check that each sampling correspond to a complete bootstrap resample.
279
+ # the size of each bootstrap should be the same as the input data but
280
+ # the data should be different (checked using the hash of the data).
281
+ ensemble = BaggingRegressor(estimator=DummySizeEstimator(), bootstrap=True).fit(
282
+ X_train, y_train
283
+ )
284
+ training_hash = []
285
+ for estimator in ensemble.estimators_:
286
+ assert estimator.training_size_ == X_train.shape[0]
287
+ training_hash.append(estimator.training_hash_)
288
+ assert len(set(training_hash)) == len(training_hash)
289
+
290
+
291
+ def test_bootstrap_features():
292
+ # Test that bootstrapping features may generate duplicate features.
293
+ rng = check_random_state(0)
294
+ X_train, X_test, y_train, y_test = train_test_split(
295
+ diabetes.data, diabetes.target, random_state=rng
296
+ )
297
+
298
+ ensemble = BaggingRegressor(
299
+ estimator=DecisionTreeRegressor(),
300
+ max_features=1.0,
301
+ bootstrap_features=False,
302
+ random_state=rng,
303
+ ).fit(X_train, y_train)
304
+
305
+ for features in ensemble.estimators_features_:
306
+ assert diabetes.data.shape[1] == np.unique(features).shape[0]
307
+
308
+ ensemble = BaggingRegressor(
309
+ estimator=DecisionTreeRegressor(),
310
+ max_features=1.0,
311
+ bootstrap_features=True,
312
+ random_state=rng,
313
+ ).fit(X_train, y_train)
314
+
315
+ for features in ensemble.estimators_features_:
316
+ assert diabetes.data.shape[1] > np.unique(features).shape[0]
317
+
318
+
319
+ def test_probability():
320
+ # Predict probabilities.
321
+ rng = check_random_state(0)
322
+ X_train, X_test, y_train, y_test = train_test_split(
323
+ iris.data, iris.target, random_state=rng
324
+ )
325
+
326
+ with np.errstate(divide="ignore", invalid="ignore"):
327
+ # Normal case
328
+ ensemble = BaggingClassifier(
329
+ estimator=DecisionTreeClassifier(), random_state=rng
330
+ ).fit(X_train, y_train)
331
+
332
+ assert_array_almost_equal(
333
+ np.sum(ensemble.predict_proba(X_test), axis=1), np.ones(len(X_test))
334
+ )
335
+
336
+ assert_array_almost_equal(
337
+ ensemble.predict_proba(X_test), np.exp(ensemble.predict_log_proba(X_test))
338
+ )
339
+
340
+ # Degenerate case, where some classes are missing
341
+ ensemble = BaggingClassifier(
342
+ estimator=LogisticRegression(), random_state=rng, max_samples=5
343
+ ).fit(X_train, y_train)
344
+
345
+ assert_array_almost_equal(
346
+ np.sum(ensemble.predict_proba(X_test), axis=1), np.ones(len(X_test))
347
+ )
348
+
349
+ assert_array_almost_equal(
350
+ ensemble.predict_proba(X_test), np.exp(ensemble.predict_log_proba(X_test))
351
+ )
352
+
353
+
354
+ def test_oob_score_classification():
355
+ # Check that oob prediction is a good estimation of the generalization
356
+ # error.
357
+ rng = check_random_state(0)
358
+ X_train, X_test, y_train, y_test = train_test_split(
359
+ iris.data, iris.target, random_state=rng
360
+ )
361
+
362
+ for estimator in [DecisionTreeClassifier(), SVC()]:
363
+ clf = BaggingClassifier(
364
+ estimator=estimator,
365
+ n_estimators=100,
366
+ bootstrap=True,
367
+ oob_score=True,
368
+ random_state=rng,
369
+ ).fit(X_train, y_train)
370
+
371
+ test_score = clf.score(X_test, y_test)
372
+
373
+ assert abs(test_score - clf.oob_score_) < 0.1
374
+
375
+ # Test with few estimators
376
+ warn_msg = (
377
+ "Some inputs do not have OOB scores. This probably means too few "
378
+ "estimators were used to compute any reliable oob estimates."
379
+ )
380
+ with pytest.warns(UserWarning, match=warn_msg):
381
+ clf = BaggingClassifier(
382
+ estimator=estimator,
383
+ n_estimators=1,
384
+ bootstrap=True,
385
+ oob_score=True,
386
+ random_state=rng,
387
+ )
388
+ clf.fit(X_train, y_train)
389
+
390
+
391
+ def test_oob_score_regression():
392
+ # Check that oob prediction is a good estimation of the generalization
393
+ # error.
394
+ rng = check_random_state(0)
395
+ X_train, X_test, y_train, y_test = train_test_split(
396
+ diabetes.data, diabetes.target, random_state=rng
397
+ )
398
+
399
+ clf = BaggingRegressor(
400
+ estimator=DecisionTreeRegressor(),
401
+ n_estimators=50,
402
+ bootstrap=True,
403
+ oob_score=True,
404
+ random_state=rng,
405
+ ).fit(X_train, y_train)
406
+
407
+ test_score = clf.score(X_test, y_test)
408
+
409
+ assert abs(test_score - clf.oob_score_) < 0.1
410
+
411
+ # Test with few estimators
412
+ warn_msg = (
413
+ "Some inputs do not have OOB scores. This probably means too few "
414
+ "estimators were used to compute any reliable oob estimates."
415
+ )
416
+ with pytest.warns(UserWarning, match=warn_msg):
417
+ regr = BaggingRegressor(
418
+ estimator=DecisionTreeRegressor(),
419
+ n_estimators=1,
420
+ bootstrap=True,
421
+ oob_score=True,
422
+ random_state=rng,
423
+ )
424
+ regr.fit(X_train, y_train)
425
+
426
+
427
+ def test_single_estimator():
428
+ # Check singleton ensembles.
429
+ rng = check_random_state(0)
430
+ X_train, X_test, y_train, y_test = train_test_split(
431
+ diabetes.data, diabetes.target, random_state=rng
432
+ )
433
+
434
+ clf1 = BaggingRegressor(
435
+ estimator=KNeighborsRegressor(),
436
+ n_estimators=1,
437
+ bootstrap=False,
438
+ bootstrap_features=False,
439
+ random_state=rng,
440
+ ).fit(X_train, y_train)
441
+
442
+ clf2 = KNeighborsRegressor().fit(X_train, y_train)
443
+
444
+ assert_array_almost_equal(clf1.predict(X_test), clf2.predict(X_test))
445
+
446
+
447
+ def test_error():
448
+ # Test support of decision_function
449
+ X, y = iris.data, iris.target
450
+ base = DecisionTreeClassifier()
451
+ assert not hasattr(BaggingClassifier(base).fit(X, y), "decision_function")
452
+
453
+
454
+ def test_parallel_classification():
455
+ # Check parallel classification.
456
+ X_train, X_test, y_train, y_test = train_test_split(
457
+ iris.data, iris.target, random_state=0
458
+ )
459
+
460
+ ensemble = BaggingClassifier(
461
+ DecisionTreeClassifier(), n_jobs=3, random_state=0
462
+ ).fit(X_train, y_train)
463
+
464
+ # predict_proba
465
+ y1 = ensemble.predict_proba(X_test)
466
+ ensemble.set_params(n_jobs=1)
467
+ y2 = ensemble.predict_proba(X_test)
468
+ assert_array_almost_equal(y1, y2)
469
+
470
+ ensemble = BaggingClassifier(
471
+ DecisionTreeClassifier(), n_jobs=1, random_state=0
472
+ ).fit(X_train, y_train)
473
+
474
+ y3 = ensemble.predict_proba(X_test)
475
+ assert_array_almost_equal(y1, y3)
476
+
477
+ # decision_function
478
+ ensemble = BaggingClassifier(
479
+ SVC(decision_function_shape="ovr"), n_jobs=3, random_state=0
480
+ ).fit(X_train, y_train)
481
+
482
+ decisions1 = ensemble.decision_function(X_test)
483
+ ensemble.set_params(n_jobs=1)
484
+ decisions2 = ensemble.decision_function(X_test)
485
+ assert_array_almost_equal(decisions1, decisions2)
486
+
487
+ ensemble = BaggingClassifier(
488
+ SVC(decision_function_shape="ovr"), n_jobs=1, random_state=0
489
+ ).fit(X_train, y_train)
490
+
491
+ decisions3 = ensemble.decision_function(X_test)
492
+ assert_array_almost_equal(decisions1, decisions3)
493
+
494
+
495
+ def test_parallel_regression():
496
+ # Check parallel regression.
497
+ rng = check_random_state(0)
498
+
499
+ X_train, X_test, y_train, y_test = train_test_split(
500
+ diabetes.data, diabetes.target, random_state=rng
501
+ )
502
+
503
+ ensemble = BaggingRegressor(DecisionTreeRegressor(), n_jobs=3, random_state=0).fit(
504
+ X_train, y_train
505
+ )
506
+
507
+ ensemble.set_params(n_jobs=1)
508
+ y1 = ensemble.predict(X_test)
509
+ ensemble.set_params(n_jobs=2)
510
+ y2 = ensemble.predict(X_test)
511
+ assert_array_almost_equal(y1, y2)
512
+
513
+ ensemble = BaggingRegressor(DecisionTreeRegressor(), n_jobs=1, random_state=0).fit(
514
+ X_train, y_train
515
+ )
516
+
517
+ y3 = ensemble.predict(X_test)
518
+ assert_array_almost_equal(y1, y3)
519
+
520
+
521
+ def test_gridsearch():
522
+ # Check that bagging ensembles can be grid-searched.
523
+ # Transform iris into a binary classification task
524
+ X, y = iris.data, iris.target
525
+ y[y == 2] = 1
526
+
527
+ # Grid search with scoring based on decision_function
528
+ parameters = {"n_estimators": (1, 2), "estimator__C": (1, 2)}
529
+
530
+ GridSearchCV(BaggingClassifier(SVC()), parameters, scoring="roc_auc").fit(X, y)
531
+
532
+
533
+ def test_estimator():
534
+ # Check estimator and its default values.
535
+ rng = check_random_state(0)
536
+
537
+ # Classification
538
+ X_train, X_test, y_train, y_test = train_test_split(
539
+ iris.data, iris.target, random_state=rng
540
+ )
541
+
542
+ ensemble = BaggingClassifier(None, n_jobs=3, random_state=0).fit(X_train, y_train)
543
+
544
+ assert isinstance(ensemble.estimator_, DecisionTreeClassifier)
545
+
546
+ ensemble = BaggingClassifier(
547
+ DecisionTreeClassifier(), n_jobs=3, random_state=0
548
+ ).fit(X_train, y_train)
549
+
550
+ assert isinstance(ensemble.estimator_, DecisionTreeClassifier)
551
+
552
+ ensemble = BaggingClassifier(Perceptron(), n_jobs=3, random_state=0).fit(
553
+ X_train, y_train
554
+ )
555
+
556
+ assert isinstance(ensemble.estimator_, Perceptron)
557
+
558
+ # Regression
559
+ X_train, X_test, y_train, y_test = train_test_split(
560
+ diabetes.data, diabetes.target, random_state=rng
561
+ )
562
+
563
+ ensemble = BaggingRegressor(None, n_jobs=3, random_state=0).fit(X_train, y_train)
564
+
565
+ assert isinstance(ensemble.estimator_, DecisionTreeRegressor)
566
+
567
+ ensemble = BaggingRegressor(DecisionTreeRegressor(), n_jobs=3, random_state=0).fit(
568
+ X_train, y_train
569
+ )
570
+
571
+ assert isinstance(ensemble.estimator_, DecisionTreeRegressor)
572
+
573
+ ensemble = BaggingRegressor(SVR(), n_jobs=3, random_state=0).fit(X_train, y_train)
574
+ assert isinstance(ensemble.estimator_, SVR)
575
+
576
+
577
+ def test_bagging_with_pipeline():
578
+ estimator = BaggingClassifier(
579
+ make_pipeline(SelectKBest(k=1), DecisionTreeClassifier()), max_features=2
580
+ )
581
+ estimator.fit(iris.data, iris.target)
582
+ assert isinstance(estimator[0].steps[-1][1].random_state, int)
583
+
584
+
585
+ class DummyZeroEstimator(BaseEstimator):
586
+ def fit(self, X, y):
587
+ self.classes_ = np.unique(y)
588
+ return self
589
+
590
+ def predict(self, X):
591
+ return self.classes_[np.zeros(X.shape[0], dtype=int)]
592
+
593
+
594
+ def test_bagging_sample_weight_unsupported_but_passed():
595
+ estimator = BaggingClassifier(DummyZeroEstimator())
596
+ rng = check_random_state(0)
597
+
598
+ estimator.fit(iris.data, iris.target).predict(iris.data)
599
+ with pytest.raises(ValueError):
600
+ estimator.fit(
601
+ iris.data,
602
+ iris.target,
603
+ sample_weight=rng.randint(10, size=(iris.data.shape[0])),
604
+ )
605
+
606
+
607
+ def test_warm_start(random_state=42):
608
+ # Test if fitting incrementally with warm start gives a forest of the
609
+ # right size and the same results as a normal fit.
610
+ X, y = make_hastie_10_2(n_samples=20, random_state=1)
611
+
612
+ clf_ws = None
613
+ for n_estimators in [5, 10]:
614
+ if clf_ws is None:
615
+ clf_ws = BaggingClassifier(
616
+ n_estimators=n_estimators, random_state=random_state, warm_start=True
617
+ )
618
+ else:
619
+ clf_ws.set_params(n_estimators=n_estimators)
620
+ clf_ws.fit(X, y)
621
+ assert len(clf_ws) == n_estimators
622
+
623
+ clf_no_ws = BaggingClassifier(
624
+ n_estimators=10, random_state=random_state, warm_start=False
625
+ )
626
+ clf_no_ws.fit(X, y)
627
+
628
+ assert set([tree.random_state for tree in clf_ws]) == set(
629
+ [tree.random_state for tree in clf_no_ws]
630
+ )
631
+
632
+
633
+ def test_warm_start_smaller_n_estimators():
634
+ # Test if warm start'ed second fit with smaller n_estimators raises error.
635
+ X, y = make_hastie_10_2(n_samples=20, random_state=1)
636
+ clf = BaggingClassifier(n_estimators=5, warm_start=True)
637
+ clf.fit(X, y)
638
+ clf.set_params(n_estimators=4)
639
+ with pytest.raises(ValueError):
640
+ clf.fit(X, y)
641
+
642
+
643
+ def test_warm_start_equal_n_estimators():
644
+ # Test that nothing happens when fitting without increasing n_estimators
645
+ X, y = make_hastie_10_2(n_samples=20, random_state=1)
646
+ X_train, X_test, y_train, y_test = train_test_split(X, y, random_state=43)
647
+
648
+ clf = BaggingClassifier(n_estimators=5, warm_start=True, random_state=83)
649
+ clf.fit(X_train, y_train)
650
+
651
+ y_pred = clf.predict(X_test)
652
+ # modify X to nonsense values, this should not change anything
653
+ X_train += 1.0
654
+
655
+ warn_msg = "Warm-start fitting without increasing n_estimators does not"
656
+ with pytest.warns(UserWarning, match=warn_msg):
657
+ clf.fit(X_train, y_train)
658
+ assert_array_equal(y_pred, clf.predict(X_test))
659
+
660
+
661
+ def test_warm_start_equivalence():
662
+ # warm started classifier with 5+5 estimators should be equivalent to
663
+ # one classifier with 10 estimators
664
+ X, y = make_hastie_10_2(n_samples=20, random_state=1)
665
+ X_train, X_test, y_train, y_test = train_test_split(X, y, random_state=43)
666
+
667
+ clf_ws = BaggingClassifier(n_estimators=5, warm_start=True, random_state=3141)
668
+ clf_ws.fit(X_train, y_train)
669
+ clf_ws.set_params(n_estimators=10)
670
+ clf_ws.fit(X_train, y_train)
671
+ y1 = clf_ws.predict(X_test)
672
+
673
+ clf = BaggingClassifier(n_estimators=10, warm_start=False, random_state=3141)
674
+ clf.fit(X_train, y_train)
675
+ y2 = clf.predict(X_test)
676
+
677
+ assert_array_almost_equal(y1, y2)
678
+
679
+
680
+ def test_warm_start_with_oob_score_fails():
681
+ # Check using oob_score and warm_start simultaneously fails
682
+ X, y = make_hastie_10_2(n_samples=20, random_state=1)
683
+ clf = BaggingClassifier(n_estimators=5, warm_start=True, oob_score=True)
684
+ with pytest.raises(ValueError):
685
+ clf.fit(X, y)
686
+
687
+
688
+ def test_oob_score_removed_on_warm_start():
689
+ X, y = make_hastie_10_2(n_samples=100, random_state=1)
690
+
691
+ clf = BaggingClassifier(n_estimators=5, oob_score=True)
692
+ clf.fit(X, y)
693
+
694
+ clf.set_params(warm_start=True, oob_score=False, n_estimators=10)
695
+ clf.fit(X, y)
696
+
697
+ with pytest.raises(AttributeError):
698
+ getattr(clf, "oob_score_")
699
+
700
+
701
+ def test_oob_score_consistency():
702
+ # Make sure OOB scores are identical when random_state, estimator, and
703
+ # training data are fixed and fitting is done twice
704
+ X, y = make_hastie_10_2(n_samples=200, random_state=1)
705
+ bagging = BaggingClassifier(
706
+ KNeighborsClassifier(),
707
+ max_samples=0.5,
708
+ max_features=0.5,
709
+ oob_score=True,
710
+ random_state=1,
711
+ )
712
+ assert bagging.fit(X, y).oob_score_ == bagging.fit(X, y).oob_score_
713
+
714
+
715
+ def test_estimators_samples():
716
+ # Check that format of estimators_samples_ is correct and that results
717
+ # generated at fit time can be identically reproduced at a later time
718
+ # using data saved in object attributes.
719
+ X, y = make_hastie_10_2(n_samples=200, random_state=1)
720
+ bagging = BaggingClassifier(
721
+ LogisticRegression(),
722
+ max_samples=0.5,
723
+ max_features=0.5,
724
+ random_state=1,
725
+ bootstrap=False,
726
+ )
727
+ bagging.fit(X, y)
728
+
729
+ # Get relevant attributes
730
+ estimators_samples = bagging.estimators_samples_
731
+ estimators_features = bagging.estimators_features_
732
+ estimators = bagging.estimators_
733
+
734
+ # Test for correct formatting
735
+ assert len(estimators_samples) == len(estimators)
736
+ assert len(estimators_samples[0]) == len(X) // 2
737
+ assert estimators_samples[0].dtype.kind == "i"
738
+
739
+ # Re-fit single estimator to test for consistent sampling
740
+ estimator_index = 0
741
+ estimator_samples = estimators_samples[estimator_index]
742
+ estimator_features = estimators_features[estimator_index]
743
+ estimator = estimators[estimator_index]
744
+
745
+ X_train = (X[estimator_samples])[:, estimator_features]
746
+ y_train = y[estimator_samples]
747
+
748
+ orig_coefs = estimator.coef_
749
+ estimator.fit(X_train, y_train)
750
+ new_coefs = estimator.coef_
751
+
752
+ assert_array_almost_equal(orig_coefs, new_coefs)
753
+
754
+
755
+ def test_estimators_samples_deterministic():
756
+ # This test is a regression test to check that with a random step
757
+ # (e.g. SparseRandomProjection) and a given random state, the results
758
+ # generated at fit time can be identically reproduced at a later time using
759
+ # data saved in object attributes. Check issue #9524 for full discussion.
760
+
761
+ iris = load_iris()
762
+ X, y = iris.data, iris.target
763
+
764
+ base_pipeline = make_pipeline(
765
+ SparseRandomProjection(n_components=2), LogisticRegression()
766
+ )
767
+ clf = BaggingClassifier(estimator=base_pipeline, max_samples=0.5, random_state=0)
768
+ clf.fit(X, y)
769
+ pipeline_estimator_coef = clf.estimators_[0].steps[-1][1].coef_.copy()
770
+
771
+ estimator = clf.estimators_[0]
772
+ estimator_sample = clf.estimators_samples_[0]
773
+ estimator_feature = clf.estimators_features_[0]
774
+
775
+ X_train = (X[estimator_sample])[:, estimator_feature]
776
+ y_train = y[estimator_sample]
777
+
778
+ estimator.fit(X_train, y_train)
779
+ assert_array_equal(estimator.steps[-1][1].coef_, pipeline_estimator_coef)
780
+
781
+
782
+ def test_max_samples_consistency():
783
+ # Make sure validated max_samples and original max_samples are identical
784
+ # when valid integer max_samples supplied by user
785
+ max_samples = 100
786
+ X, y = make_hastie_10_2(n_samples=2 * max_samples, random_state=1)
787
+ bagging = BaggingClassifier(
788
+ KNeighborsClassifier(),
789
+ max_samples=max_samples,
790
+ max_features=0.5,
791
+ random_state=1,
792
+ )
793
+ bagging.fit(X, y)
794
+ assert bagging._max_samples == max_samples
795
+
796
+
797
+ def test_set_oob_score_label_encoding():
798
+ # Make sure the oob_score doesn't change when the labels change
799
+ # See: https://github.com/scikit-learn/scikit-learn/issues/8933
800
+ random_state = 5
801
+ X = [[-1], [0], [1]] * 5
802
+ Y1 = ["A", "B", "C"] * 5
803
+ Y2 = [-1, 0, 1] * 5
804
+ Y3 = [0, 1, 2] * 5
805
+ x1 = (
806
+ BaggingClassifier(oob_score=True, random_state=random_state)
807
+ .fit(X, Y1)
808
+ .oob_score_
809
+ )
810
+ x2 = (
811
+ BaggingClassifier(oob_score=True, random_state=random_state)
812
+ .fit(X, Y2)
813
+ .oob_score_
814
+ )
815
+ x3 = (
816
+ BaggingClassifier(oob_score=True, random_state=random_state)
817
+ .fit(X, Y3)
818
+ .oob_score_
819
+ )
820
+ assert [x1, x2] == [x3, x3]
821
+
822
+
823
+ def replace(X):
824
+ X = X.astype("float", copy=True)
825
+ X[~np.isfinite(X)] = 0
826
+ return X
827
+
828
+
829
+ def test_bagging_regressor_with_missing_inputs():
830
+ # Check that BaggingRegressor can accept X with missing/infinite data
831
+ X = np.array(
832
+ [
833
+ [1, 3, 5],
834
+ [2, None, 6],
835
+ [2, np.nan, 6],
836
+ [2, np.inf, 6],
837
+ [2, -np.inf, 6],
838
+ ]
839
+ )
840
+ y_values = [
841
+ np.array([2, 3, 3, 3, 3]),
842
+ np.array(
843
+ [
844
+ [2, 1, 9],
845
+ [3, 6, 8],
846
+ [3, 6, 8],
847
+ [3, 6, 8],
848
+ [3, 6, 8],
849
+ ]
850
+ ),
851
+ ]
852
+ for y in y_values:
853
+ regressor = DecisionTreeRegressor()
854
+ pipeline = make_pipeline(FunctionTransformer(replace), regressor)
855
+ pipeline.fit(X, y).predict(X)
856
+ bagging_regressor = BaggingRegressor(pipeline)
857
+ y_hat = bagging_regressor.fit(X, y).predict(X)
858
+ assert y.shape == y_hat.shape
859
+
860
+ # Verify that exceptions can be raised by wrapper regressor
861
+ regressor = DecisionTreeRegressor()
862
+ pipeline = make_pipeline(regressor)
863
+ with pytest.raises(ValueError):
864
+ pipeline.fit(X, y)
865
+ bagging_regressor = BaggingRegressor(pipeline)
866
+ with pytest.raises(ValueError):
867
+ bagging_regressor.fit(X, y)
868
+
869
+
870
+ def test_bagging_classifier_with_missing_inputs():
871
+ # Check that BaggingClassifier can accept X with missing/infinite data
872
+ X = np.array(
873
+ [
874
+ [1, 3, 5],
875
+ [2, None, 6],
876
+ [2, np.nan, 6],
877
+ [2, np.inf, 6],
878
+ [2, -np.inf, 6],
879
+ ]
880
+ )
881
+ y = np.array([3, 6, 6, 6, 6])
882
+ classifier = DecisionTreeClassifier()
883
+ pipeline = make_pipeline(FunctionTransformer(replace), classifier)
884
+ pipeline.fit(X, y).predict(X)
885
+ bagging_classifier = BaggingClassifier(pipeline)
886
+ bagging_classifier.fit(X, y)
887
+ y_hat = bagging_classifier.predict(X)
888
+ assert y.shape == y_hat.shape
889
+ bagging_classifier.predict_log_proba(X)
890
+ bagging_classifier.predict_proba(X)
891
+
892
+ # Verify that exceptions can be raised by wrapper classifier
893
+ classifier = DecisionTreeClassifier()
894
+ pipeline = make_pipeline(classifier)
895
+ with pytest.raises(ValueError):
896
+ pipeline.fit(X, y)
897
+ bagging_classifier = BaggingClassifier(pipeline)
898
+ with pytest.raises(ValueError):
899
+ bagging_classifier.fit(X, y)
900
+
901
+
902
+ def test_bagging_small_max_features():
903
+ # Check that Bagging estimator can accept low fractional max_features
904
+
905
+ X = np.array([[1, 2], [3, 4]])
906
+ y = np.array([1, 0])
907
+
908
+ bagging = BaggingClassifier(LogisticRegression(), max_features=0.3, random_state=1)
909
+ bagging.fit(X, y)
910
+
911
+
912
+ def test_bagging_get_estimators_indices():
913
+ # Check that Bagging estimator can generate sample indices properly
914
+ # Non-regression test for:
915
+ # https://github.com/scikit-learn/scikit-learn/issues/16436
916
+
917
+ rng = np.random.RandomState(0)
918
+ X = rng.randn(13, 4)
919
+ y = np.arange(13)
920
+
921
+ class MyEstimator(DecisionTreeRegressor):
922
+ """An estimator which stores y indices information at fit."""
923
+
924
+ def fit(self, X, y):
925
+ self._sample_indices = y
926
+
927
+ clf = BaggingRegressor(estimator=MyEstimator(), n_estimators=1, random_state=0)
928
+ clf.fit(X, y)
929
+
930
+ assert_array_equal(clf.estimators_[0]._sample_indices, clf.estimators_samples_[0])
931
+
932
+
933
+ @pytest.mark.parametrize(
934
+ "bagging, expected_allow_nan",
935
+ [
936
+ (BaggingClassifier(HistGradientBoostingClassifier(max_iter=1)), True),
937
+ (BaggingRegressor(HistGradientBoostingRegressor(max_iter=1)), True),
938
+ (BaggingClassifier(LogisticRegression()), False),
939
+ (BaggingRegressor(SVR()), False),
940
+ ],
941
+ )
942
+ def test_bagging_allow_nan_tag(bagging, expected_allow_nan):
943
+ """Check that bagging inherits allow_nan tag."""
944
+ assert bagging.__sklearn_tags__().input_tags.allow_nan == expected_allow_nan
945
+
946
+
947
+ @pytest.mark.parametrize(
948
+ "model",
949
+ [
950
+ BaggingClassifier(
951
+ estimator=RandomForestClassifier(n_estimators=1), n_estimators=1
952
+ ),
953
+ BaggingRegressor(
954
+ estimator=RandomForestRegressor(n_estimators=1), n_estimators=1
955
+ ),
956
+ ],
957
+ )
958
+ def test_bagging_with_metadata_routing(model):
959
+ """Make sure that metadata routing works with non-default estimator."""
960
+ with sklearn.config_context(enable_metadata_routing=True):
961
+ model.fit(iris.data, iris.target)
962
+
963
+
964
+ @pytest.mark.parametrize(
965
+ "model",
966
+ [
967
+ BaggingClassifier(
968
+ estimator=AdaBoostClassifier(n_estimators=1),
969
+ n_estimators=1,
970
+ ),
971
+ BaggingRegressor(estimator=AdaBoostRegressor(n_estimators=1), n_estimators=1),
972
+ ],
973
+ )
974
+ def test_bagging_without_support_metadata_routing(model):
975
+ """Make sure that we still can use an estimator that does not implement the
976
+ metadata routing."""
977
+ model.fit(iris.data, iris.target)
openflamingo/lib/python3.10/site-packages/sklearn/ensemble/tests/test_common.py ADDED
@@ -0,0 +1,262 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ import numpy as np
2
+ import pytest
3
+
4
+ from sklearn.base import ClassifierMixin, clone, is_classifier
5
+ from sklearn.datasets import (
6
+ load_diabetes,
7
+ load_iris,
8
+ make_classification,
9
+ make_regression,
10
+ )
11
+ from sklearn.ensemble import (
12
+ RandomForestClassifier,
13
+ RandomForestRegressor,
14
+ StackingClassifier,
15
+ StackingRegressor,
16
+ VotingClassifier,
17
+ VotingRegressor,
18
+ )
19
+ from sklearn.impute import SimpleImputer
20
+ from sklearn.linear_model import LinearRegression, LogisticRegression
21
+ from sklearn.pipeline import make_pipeline
22
+ from sklearn.svm import SVC, SVR, LinearSVC, LinearSVR
23
+
24
+ X, y = load_iris(return_X_y=True)
25
+
26
+ X_r, y_r = load_diabetes(return_X_y=True)
27
+
28
+
29
+ @pytest.mark.parametrize(
30
+ "X, y, estimator",
31
+ [
32
+ (
33
+ *make_classification(n_samples=10),
34
+ StackingClassifier(
35
+ estimators=[
36
+ ("lr", LogisticRegression()),
37
+ ("svm", LinearSVC()),
38
+ ("rf", RandomForestClassifier(n_estimators=5, max_depth=3)),
39
+ ],
40
+ cv=2,
41
+ ),
42
+ ),
43
+ (
44
+ *make_classification(n_samples=10),
45
+ VotingClassifier(
46
+ estimators=[
47
+ ("lr", LogisticRegression()),
48
+ ("svm", LinearSVC()),
49
+ ("rf", RandomForestClassifier(n_estimators=5, max_depth=3)),
50
+ ]
51
+ ),
52
+ ),
53
+ (
54
+ *make_regression(n_samples=10),
55
+ StackingRegressor(
56
+ estimators=[
57
+ ("lr", LinearRegression()),
58
+ ("svm", LinearSVR()),
59
+ ("rf", RandomForestRegressor(n_estimators=5, max_depth=3)),
60
+ ],
61
+ cv=2,
62
+ ),
63
+ ),
64
+ (
65
+ *make_regression(n_samples=10),
66
+ VotingRegressor(
67
+ estimators=[
68
+ ("lr", LinearRegression()),
69
+ ("svm", LinearSVR()),
70
+ ("rf", RandomForestRegressor(n_estimators=5, max_depth=3)),
71
+ ]
72
+ ),
73
+ ),
74
+ ],
75
+ ids=[
76
+ "stacking-classifier",
77
+ "voting-classifier",
78
+ "stacking-regressor",
79
+ "voting-regressor",
80
+ ],
81
+ )
82
+ def test_ensemble_heterogeneous_estimators_behavior(X, y, estimator):
83
+ # check that the behavior of `estimators`, `estimators_`,
84
+ # `named_estimators`, `named_estimators_` is consistent across all
85
+ # ensemble classes and when using `set_params()`.
86
+
87
+ # before fit
88
+ assert "svm" in estimator.named_estimators
89
+ assert estimator.named_estimators.svm is estimator.estimators[1][1]
90
+ assert estimator.named_estimators.svm is estimator.named_estimators["svm"]
91
+
92
+ # check fitted attributes
93
+ estimator.fit(X, y)
94
+ assert len(estimator.named_estimators) == 3
95
+ assert len(estimator.named_estimators_) == 3
96
+ assert sorted(list(estimator.named_estimators_.keys())) == sorted(
97
+ ["lr", "svm", "rf"]
98
+ )
99
+
100
+ # check that set_params() does not add a new attribute
101
+ estimator_new_params = clone(estimator)
102
+ svm_estimator = SVC() if is_classifier(estimator) else SVR()
103
+ estimator_new_params.set_params(svm=svm_estimator).fit(X, y)
104
+ assert not hasattr(estimator_new_params, "svm")
105
+ assert (
106
+ estimator_new_params.named_estimators.lr.get_params()
107
+ == estimator.named_estimators.lr.get_params()
108
+ )
109
+ assert (
110
+ estimator_new_params.named_estimators.rf.get_params()
111
+ == estimator.named_estimators.rf.get_params()
112
+ )
113
+
114
+ # check the behavior when setting an dropping an estimator
115
+ estimator_dropped = clone(estimator)
116
+ estimator_dropped.set_params(svm="drop")
117
+ estimator_dropped.fit(X, y)
118
+ assert len(estimator_dropped.named_estimators) == 3
119
+ assert estimator_dropped.named_estimators.svm == "drop"
120
+ assert len(estimator_dropped.named_estimators_) == 3
121
+ assert sorted(list(estimator_dropped.named_estimators_.keys())) == sorted(
122
+ ["lr", "svm", "rf"]
123
+ )
124
+ for sub_est in estimator_dropped.named_estimators_:
125
+ # check that the correspondence is correct
126
+ assert not isinstance(sub_est, type(estimator.named_estimators.svm))
127
+
128
+ # check that we can set the parameters of the underlying classifier
129
+ estimator.set_params(svm__C=10.0)
130
+ estimator.set_params(rf__max_depth=5)
131
+ assert (
132
+ estimator.get_params()["svm__C"]
133
+ == estimator.get_params()["svm"].get_params()["C"]
134
+ )
135
+ assert (
136
+ estimator.get_params()["rf__max_depth"]
137
+ == estimator.get_params()["rf"].get_params()["max_depth"]
138
+ )
139
+
140
+
141
+ @pytest.mark.parametrize(
142
+ "Ensemble",
143
+ [VotingClassifier, StackingRegressor, VotingRegressor],
144
+ )
145
+ def test_ensemble_heterogeneous_estimators_type(Ensemble):
146
+ # check that ensemble will fail during validation if the underlying
147
+ # estimators are not of the same type (i.e. classifier or regressor)
148
+ # StackingClassifier can have an underlying regresor so it's not checked
149
+ if issubclass(Ensemble, ClassifierMixin):
150
+ X, y = make_classification(n_samples=10)
151
+ estimators = [("lr", LinearRegression())]
152
+ ensemble_type = "classifier"
153
+ else:
154
+ X, y = make_regression(n_samples=10)
155
+ estimators = [("lr", LogisticRegression())]
156
+ ensemble_type = "regressor"
157
+ ensemble = Ensemble(estimators=estimators)
158
+
159
+ err_msg = "should be a {}".format(ensemble_type)
160
+ with pytest.raises(ValueError, match=err_msg):
161
+ ensemble.fit(X, y)
162
+
163
+
164
+ @pytest.mark.parametrize(
165
+ "X, y, Ensemble",
166
+ [
167
+ (*make_classification(n_samples=10), StackingClassifier),
168
+ (*make_classification(n_samples=10), VotingClassifier),
169
+ (*make_regression(n_samples=10), StackingRegressor),
170
+ (*make_regression(n_samples=10), VotingRegressor),
171
+ ],
172
+ )
173
+ def test_ensemble_heterogeneous_estimators_name_validation(X, y, Ensemble):
174
+ # raise an error when the name contains dunder
175
+ if issubclass(Ensemble, ClassifierMixin):
176
+ estimators = [("lr__", LogisticRegression())]
177
+ else:
178
+ estimators = [("lr__", LinearRegression())]
179
+ ensemble = Ensemble(estimators=estimators)
180
+
181
+ err_msg = r"Estimator names must not contain __: got \['lr__'\]"
182
+ with pytest.raises(ValueError, match=err_msg):
183
+ ensemble.fit(X, y)
184
+
185
+ # raise an error when the name is not unique
186
+ if issubclass(Ensemble, ClassifierMixin):
187
+ estimators = [("lr", LogisticRegression()), ("lr", LogisticRegression())]
188
+ else:
189
+ estimators = [("lr", LinearRegression()), ("lr", LinearRegression())]
190
+ ensemble = Ensemble(estimators=estimators)
191
+
192
+ err_msg = r"Names provided are not unique: \['lr', 'lr'\]"
193
+ with pytest.raises(ValueError, match=err_msg):
194
+ ensemble.fit(X, y)
195
+
196
+ # raise an error when the name conflicts with the parameters
197
+ if issubclass(Ensemble, ClassifierMixin):
198
+ estimators = [("estimators", LogisticRegression())]
199
+ else:
200
+ estimators = [("estimators", LinearRegression())]
201
+ ensemble = Ensemble(estimators=estimators)
202
+
203
+ err_msg = "Estimator names conflict with constructor arguments"
204
+ with pytest.raises(ValueError, match=err_msg):
205
+ ensemble.fit(X, y)
206
+
207
+
208
+ @pytest.mark.parametrize(
209
+ "X, y, estimator",
210
+ [
211
+ (
212
+ *make_classification(n_samples=10),
213
+ StackingClassifier(estimators=[("lr", LogisticRegression())]),
214
+ ),
215
+ (
216
+ *make_classification(n_samples=10),
217
+ VotingClassifier(estimators=[("lr", LogisticRegression())]),
218
+ ),
219
+ (
220
+ *make_regression(n_samples=10),
221
+ StackingRegressor(estimators=[("lr", LinearRegression())]),
222
+ ),
223
+ (
224
+ *make_regression(n_samples=10),
225
+ VotingRegressor(estimators=[("lr", LinearRegression())]),
226
+ ),
227
+ ],
228
+ ids=[
229
+ "stacking-classifier",
230
+ "voting-classifier",
231
+ "stacking-regressor",
232
+ "voting-regressor",
233
+ ],
234
+ )
235
+ def test_ensemble_heterogeneous_estimators_all_dropped(X, y, estimator):
236
+ # check that we raise a consistent error when all estimators are
237
+ # dropped
238
+ estimator.set_params(lr="drop")
239
+ with pytest.raises(ValueError, match="All estimators are dropped."):
240
+ estimator.fit(X, y)
241
+
242
+
243
+ @pytest.mark.parametrize(
244
+ "Ensemble, Estimator, X, y",
245
+ [
246
+ (StackingClassifier, LogisticRegression, X, y),
247
+ (StackingRegressor, LinearRegression, X_r, y_r),
248
+ (VotingClassifier, LogisticRegression, X, y),
249
+ (VotingRegressor, LinearRegression, X_r, y_r),
250
+ ],
251
+ )
252
+ # FIXME: we should move this test in `estimator_checks` once we are able
253
+ # to construct meta-estimator instances
254
+ def test_heterogeneous_ensemble_support_missing_values(Ensemble, Estimator, X, y):
255
+ # check that Voting and Stacking predictor delegate the missing values
256
+ # validation to the underlying estimator.
257
+ X = X.copy()
258
+ mask = np.random.choice([1, 0], X.shape, p=[0.1, 0.9]).astype(bool)
259
+ X[mask] = np.nan
260
+ pipe = make_pipeline(SimpleImputer(), Estimator())
261
+ ensemble = Ensemble(estimators=[("pipe1", pipe), ("pipe2", pipe)])
262
+ ensemble.fit(X, y).score(X, y)
openflamingo/lib/python3.10/site-packages/sklearn/ensemble/tests/test_forest.py ADDED
@@ -0,0 +1,1864 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ """
2
+ Testing for the forest module (sklearn.ensemble.forest).
3
+ """
4
+
5
+ # Authors: The scikit-learn developers
6
+ # SPDX-License-Identifier: BSD-3-Clause
7
+
8
+ import itertools
9
+ import math
10
+ import pickle
11
+ from collections import defaultdict
12
+ from functools import partial
13
+ from itertools import combinations, product
14
+ from typing import Any, Dict
15
+ from unittest.mock import patch
16
+
17
+ import joblib
18
+ import numpy as np
19
+ import pytest
20
+ from scipy.special import comb
21
+
22
+ import sklearn
23
+ from sklearn import clone, datasets
24
+ from sklearn.datasets import make_classification, make_hastie_10_2
25
+ from sklearn.decomposition import TruncatedSVD
26
+ from sklearn.dummy import DummyRegressor
27
+ from sklearn.ensemble import (
28
+ ExtraTreesClassifier,
29
+ ExtraTreesRegressor,
30
+ RandomForestClassifier,
31
+ RandomForestRegressor,
32
+ RandomTreesEmbedding,
33
+ )
34
+ from sklearn.ensemble._forest import (
35
+ _generate_unsampled_indices,
36
+ _get_n_samples_bootstrap,
37
+ )
38
+ from sklearn.exceptions import NotFittedError
39
+ from sklearn.metrics import (
40
+ explained_variance_score,
41
+ f1_score,
42
+ mean_poisson_deviance,
43
+ mean_squared_error,
44
+ )
45
+ from sklearn.model_selection import GridSearchCV, cross_val_score, train_test_split
46
+ from sklearn.svm import LinearSVC
47
+ from sklearn.tree._classes import SPARSE_SPLITTERS
48
+ from sklearn.utils._testing import (
49
+ _convert_container,
50
+ assert_allclose,
51
+ assert_almost_equal,
52
+ assert_array_almost_equal,
53
+ assert_array_equal,
54
+ ignore_warnings,
55
+ skip_if_no_parallel,
56
+ )
57
+ from sklearn.utils.fixes import COO_CONTAINERS, CSC_CONTAINERS, CSR_CONTAINERS
58
+ from sklearn.utils.multiclass import type_of_target
59
+ from sklearn.utils.parallel import Parallel
60
+ from sklearn.utils.validation import check_random_state
61
+
62
+ # toy sample
63
+ X = [[-2, -1], [-1, -1], [-1, -2], [1, 1], [1, 2], [2, 1]]
64
+ y = [-1, -1, -1, 1, 1, 1]
65
+ T = [[-1, -1], [2, 2], [3, 2]]
66
+ true_result = [-1, 1, 1]
67
+
68
+ # Larger classification sample used for testing feature importances
69
+ X_large, y_large = datasets.make_classification(
70
+ n_samples=500,
71
+ n_features=10,
72
+ n_informative=3,
73
+ n_redundant=0,
74
+ n_repeated=0,
75
+ shuffle=False,
76
+ random_state=0,
77
+ )
78
+
79
+ # also load the iris dataset
80
+ # and randomly permute it
81
+ iris = datasets.load_iris()
82
+ rng = check_random_state(0)
83
+ perm = rng.permutation(iris.target.size)
84
+ iris.data = iris.data[perm]
85
+ iris.target = iris.target[perm]
86
+
87
+ # Make regression dataset
88
+ X_reg, y_reg = datasets.make_regression(n_samples=500, n_features=10, random_state=1)
89
+
90
+ # also make a hastie_10_2 dataset
91
+ hastie_X, hastie_y = datasets.make_hastie_10_2(n_samples=20, random_state=1)
92
+ hastie_X = hastie_X.astype(np.float32)
93
+
94
+ # Get the default backend in joblib to test parallelism and interaction with
95
+ # different backends
96
+ DEFAULT_JOBLIB_BACKEND = joblib.parallel.get_active_backend()[0].__class__
97
+
98
+ FOREST_CLASSIFIERS = {
99
+ "ExtraTreesClassifier": ExtraTreesClassifier,
100
+ "RandomForestClassifier": RandomForestClassifier,
101
+ }
102
+
103
+ FOREST_REGRESSORS = {
104
+ "ExtraTreesRegressor": ExtraTreesRegressor,
105
+ "RandomForestRegressor": RandomForestRegressor,
106
+ }
107
+
108
+ FOREST_TRANSFORMERS = {
109
+ "RandomTreesEmbedding": RandomTreesEmbedding,
110
+ }
111
+
112
+ FOREST_ESTIMATORS: Dict[str, Any] = dict()
113
+ FOREST_ESTIMATORS.update(FOREST_CLASSIFIERS)
114
+ FOREST_ESTIMATORS.update(FOREST_REGRESSORS)
115
+ FOREST_ESTIMATORS.update(FOREST_TRANSFORMERS)
116
+
117
+ FOREST_CLASSIFIERS_REGRESSORS: Dict[str, Any] = FOREST_CLASSIFIERS.copy()
118
+ FOREST_CLASSIFIERS_REGRESSORS.update(FOREST_REGRESSORS)
119
+
120
+
121
+ @pytest.mark.parametrize("name", FOREST_CLASSIFIERS)
122
+ def test_classification_toy(name):
123
+ """Check classification on a toy dataset."""
124
+ ForestClassifier = FOREST_CLASSIFIERS[name]
125
+
126
+ clf = ForestClassifier(n_estimators=10, random_state=1)
127
+ clf.fit(X, y)
128
+ assert_array_equal(clf.predict(T), true_result)
129
+ assert 10 == len(clf)
130
+
131
+ clf = ForestClassifier(n_estimators=10, max_features=1, random_state=1)
132
+ clf.fit(X, y)
133
+ assert_array_equal(clf.predict(T), true_result)
134
+ assert 10 == len(clf)
135
+
136
+ # also test apply
137
+ leaf_indices = clf.apply(X)
138
+ assert leaf_indices.shape == (len(X), clf.n_estimators)
139
+
140
+
141
+ @pytest.mark.parametrize("name", FOREST_CLASSIFIERS)
142
+ @pytest.mark.parametrize("criterion", ("gini", "log_loss"))
143
+ def test_iris_criterion(name, criterion):
144
+ # Check consistency on dataset iris.
145
+ ForestClassifier = FOREST_CLASSIFIERS[name]
146
+
147
+ clf = ForestClassifier(n_estimators=10, criterion=criterion, random_state=1)
148
+ clf.fit(iris.data, iris.target)
149
+ score = clf.score(iris.data, iris.target)
150
+ assert score > 0.9, "Failed with criterion %s and score = %f" % (criterion, score)
151
+
152
+ clf = ForestClassifier(
153
+ n_estimators=10, criterion=criterion, max_features=2, random_state=1
154
+ )
155
+ clf.fit(iris.data, iris.target)
156
+ score = clf.score(iris.data, iris.target)
157
+ assert score > 0.5, "Failed with criterion %s and score = %f" % (criterion, score)
158
+
159
+
160
+ @pytest.mark.parametrize("name", FOREST_REGRESSORS)
161
+ @pytest.mark.parametrize(
162
+ "criterion", ("squared_error", "absolute_error", "friedman_mse")
163
+ )
164
+ def test_regression_criterion(name, criterion):
165
+ # Check consistency on regression dataset.
166
+ ForestRegressor = FOREST_REGRESSORS[name]
167
+
168
+ reg = ForestRegressor(n_estimators=5, criterion=criterion, random_state=1)
169
+ reg.fit(X_reg, y_reg)
170
+ score = reg.score(X_reg, y_reg)
171
+ assert (
172
+ score > 0.93
173
+ ), "Failed with max_features=None, criterion %s and score = %f" % (
174
+ criterion,
175
+ score,
176
+ )
177
+
178
+ reg = ForestRegressor(
179
+ n_estimators=5, criterion=criterion, max_features=6, random_state=1
180
+ )
181
+ reg.fit(X_reg, y_reg)
182
+ score = reg.score(X_reg, y_reg)
183
+ assert score > 0.92, "Failed with max_features=6, criterion %s and score = %f" % (
184
+ criterion,
185
+ score,
186
+ )
187
+
188
+
189
+ def test_poisson_vs_mse():
190
+ """Test that random forest with poisson criterion performs better than
191
+ mse for a poisson target.
192
+
193
+ There is a similar test for DecisionTreeRegressor.
194
+ """
195
+ rng = np.random.RandomState(42)
196
+ n_train, n_test, n_features = 500, 500, 10
197
+ X = datasets.make_low_rank_matrix(
198
+ n_samples=n_train + n_test, n_features=n_features, random_state=rng
199
+ )
200
+ # We create a log-linear Poisson model and downscale coef as it will get
201
+ # exponentiated.
202
+ coef = rng.uniform(low=-2, high=2, size=n_features) / np.max(X, axis=0)
203
+ y = rng.poisson(lam=np.exp(X @ coef))
204
+ X_train, X_test, y_train, y_test = train_test_split(
205
+ X, y, test_size=n_test, random_state=rng
206
+ )
207
+ # We prevent some overfitting by setting min_samples_split=10.
208
+ forest_poi = RandomForestRegressor(
209
+ criterion="poisson", min_samples_leaf=10, max_features="sqrt", random_state=rng
210
+ )
211
+ forest_mse = RandomForestRegressor(
212
+ criterion="squared_error",
213
+ min_samples_leaf=10,
214
+ max_features="sqrt",
215
+ random_state=rng,
216
+ )
217
+
218
+ forest_poi.fit(X_train, y_train)
219
+ forest_mse.fit(X_train, y_train)
220
+ dummy = DummyRegressor(strategy="mean").fit(X_train, y_train)
221
+
222
+ for X, y, data_name in [(X_train, y_train, "train"), (X_test, y_test, "test")]:
223
+ metric_poi = mean_poisson_deviance(y, forest_poi.predict(X))
224
+ # squared_error forest might produce non-positive predictions => clip
225
+ # If y = 0 for those, the poisson deviance gets too good.
226
+ # If we drew more samples, we would eventually get y > 0 and the
227
+ # poisson deviance would explode, i.e. be undefined. Therefore, we do
228
+ # not clip to a tiny value like 1e-15, but to 1e-6. This acts like a
229
+ # small penalty to the non-positive predictions.
230
+ metric_mse = mean_poisson_deviance(
231
+ y, np.clip(forest_mse.predict(X), 1e-6, None)
232
+ )
233
+ metric_dummy = mean_poisson_deviance(y, dummy.predict(X))
234
+ # As squared_error might correctly predict 0 in train set, its train
235
+ # score can be better than Poisson. This is no longer the case for the
236
+ # test set. But keep the above comment for clipping in mind.
237
+ if data_name == "test":
238
+ assert metric_poi < metric_mse
239
+ assert metric_poi < 0.8 * metric_dummy
240
+
241
+
242
+ @pytest.mark.parametrize("criterion", ("poisson", "squared_error"))
243
+ def test_balance_property_random_forest(criterion):
244
+ """ "Test that sum(y_pred)==sum(y_true) on the training set."""
245
+ rng = np.random.RandomState(42)
246
+ n_train, n_test, n_features = 500, 500, 10
247
+ X = datasets.make_low_rank_matrix(
248
+ n_samples=n_train + n_test, n_features=n_features, random_state=rng
249
+ )
250
+
251
+ coef = rng.uniform(low=-2, high=2, size=n_features) / np.max(X, axis=0)
252
+ y = rng.poisson(lam=np.exp(X @ coef))
253
+
254
+ reg = RandomForestRegressor(
255
+ criterion=criterion, n_estimators=10, bootstrap=False, random_state=rng
256
+ )
257
+ reg.fit(X, y)
258
+
259
+ assert np.sum(reg.predict(X)) == pytest.approx(np.sum(y))
260
+
261
+
262
+ @pytest.mark.parametrize("name", FOREST_REGRESSORS)
263
+ def test_regressor_attributes(name):
264
+ # Regression models should not have a classes_ attribute.
265
+ r = FOREST_REGRESSORS[name](random_state=0)
266
+ assert not hasattr(r, "classes_")
267
+ assert not hasattr(r, "n_classes_")
268
+
269
+ r.fit([[1, 2, 3], [4, 5, 6]], [1, 2])
270
+ assert not hasattr(r, "classes_")
271
+ assert not hasattr(r, "n_classes_")
272
+
273
+
274
+ @pytest.mark.parametrize("name", FOREST_CLASSIFIERS)
275
+ def test_probability(name):
276
+ # Predict probabilities.
277
+ ForestClassifier = FOREST_CLASSIFIERS[name]
278
+ with np.errstate(divide="ignore"):
279
+ clf = ForestClassifier(
280
+ n_estimators=10, random_state=1, max_features=1, max_depth=1
281
+ )
282
+ clf.fit(iris.data, iris.target)
283
+ assert_array_almost_equal(
284
+ np.sum(clf.predict_proba(iris.data), axis=1), np.ones(iris.data.shape[0])
285
+ )
286
+ assert_array_almost_equal(
287
+ clf.predict_proba(iris.data), np.exp(clf.predict_log_proba(iris.data))
288
+ )
289
+
290
+
291
+ @pytest.mark.parametrize("dtype", (np.float64, np.float32))
292
+ @pytest.mark.parametrize(
293
+ "name, criterion",
294
+ itertools.chain(
295
+ product(FOREST_CLASSIFIERS, ["gini", "log_loss"]),
296
+ product(FOREST_REGRESSORS, ["squared_error", "friedman_mse", "absolute_error"]),
297
+ ),
298
+ )
299
+ def test_importances(dtype, name, criterion):
300
+ tolerance = 0.01
301
+ if name in FOREST_REGRESSORS and criterion == "absolute_error":
302
+ tolerance = 0.05
303
+
304
+ # cast as dtype
305
+ X = X_large.astype(dtype, copy=False)
306
+ y = y_large.astype(dtype, copy=False)
307
+
308
+ ForestEstimator = FOREST_ESTIMATORS[name]
309
+
310
+ est = ForestEstimator(n_estimators=10, criterion=criterion, random_state=0)
311
+ est.fit(X, y)
312
+ importances = est.feature_importances_
313
+
314
+ # The forest estimator can detect that only the first 3 features of the
315
+ # dataset are informative:
316
+ n_important = np.sum(importances > 0.1)
317
+ assert importances.shape[0] == 10
318
+ assert n_important == 3
319
+ assert np.all(importances[:3] > 0.1)
320
+
321
+ # Check with parallel
322
+ importances = est.feature_importances_
323
+ est.set_params(n_jobs=2)
324
+ importances_parallel = est.feature_importances_
325
+ assert_array_almost_equal(importances, importances_parallel)
326
+
327
+ # Check with sample weights
328
+ sample_weight = check_random_state(0).randint(1, 10, len(X))
329
+ est = ForestEstimator(n_estimators=10, random_state=0, criterion=criterion)
330
+ est.fit(X, y, sample_weight=sample_weight)
331
+ importances = est.feature_importances_
332
+ assert np.all(importances >= 0.0)
333
+
334
+ for scale in [0.5, 100]:
335
+ est = ForestEstimator(n_estimators=10, random_state=0, criterion=criterion)
336
+ est.fit(X, y, sample_weight=scale * sample_weight)
337
+ importances_bis = est.feature_importances_
338
+ assert np.abs(importances - importances_bis).mean() < tolerance
339
+
340
+
341
+ def test_importances_asymptotic():
342
+ # Check whether variable importances of totally randomized trees
343
+ # converge towards their theoretical values (See Louppe et al,
344
+ # Understanding variable importances in forests of randomized trees, 2013).
345
+
346
+ def binomial(k, n):
347
+ return 0 if k < 0 or k > n else comb(int(n), int(k), exact=True)
348
+
349
+ def entropy(samples):
350
+ n_samples = len(samples)
351
+ entropy = 0.0
352
+
353
+ for count in np.bincount(samples):
354
+ p = 1.0 * count / n_samples
355
+ if p > 0:
356
+ entropy -= p * np.log2(p)
357
+
358
+ return entropy
359
+
360
+ def mdi_importance(X_m, X, y):
361
+ n_samples, n_features = X.shape
362
+
363
+ features = list(range(n_features))
364
+ features.pop(X_m)
365
+ values = [np.unique(X[:, i]) for i in range(n_features)]
366
+
367
+ imp = 0.0
368
+
369
+ for k in range(n_features):
370
+ # Weight of each B of size k
371
+ coef = 1.0 / (binomial(k, n_features) * (n_features - k))
372
+
373
+ # For all B of size k
374
+ for B in combinations(features, k):
375
+ # For all values B=b
376
+ for b in product(*[values[B[j]] for j in range(k)]):
377
+ mask_b = np.ones(n_samples, dtype=bool)
378
+
379
+ for j in range(k):
380
+ mask_b &= X[:, B[j]] == b[j]
381
+
382
+ X_, y_ = X[mask_b, :], y[mask_b]
383
+ n_samples_b = len(X_)
384
+
385
+ if n_samples_b > 0:
386
+ children = []
387
+
388
+ for xi in values[X_m]:
389
+ mask_xi = X_[:, X_m] == xi
390
+ children.append(y_[mask_xi])
391
+
392
+ imp += (
393
+ coef
394
+ * (1.0 * n_samples_b / n_samples) # P(B=b)
395
+ * (
396
+ entropy(y_)
397
+ - sum(
398
+ [
399
+ entropy(c) * len(c) / n_samples_b
400
+ for c in children
401
+ ]
402
+ )
403
+ )
404
+ )
405
+
406
+ return imp
407
+
408
+ data = np.array(
409
+ [
410
+ [0, 0, 1, 0, 0, 1, 0, 1],
411
+ [1, 0, 1, 1, 1, 0, 1, 2],
412
+ [1, 0, 1, 1, 0, 1, 1, 3],
413
+ [0, 1, 1, 1, 0, 1, 0, 4],
414
+ [1, 1, 0, 1, 0, 1, 1, 5],
415
+ [1, 1, 0, 1, 1, 1, 1, 6],
416
+ [1, 0, 1, 0, 0, 1, 0, 7],
417
+ [1, 1, 1, 1, 1, 1, 1, 8],
418
+ [1, 1, 1, 1, 0, 1, 1, 9],
419
+ [1, 1, 1, 0, 1, 1, 1, 0],
420
+ ]
421
+ )
422
+
423
+ X, y = np.array(data[:, :7], dtype=bool), data[:, 7]
424
+ n_features = X.shape[1]
425
+
426
+ # Compute true importances
427
+ true_importances = np.zeros(n_features)
428
+
429
+ for i in range(n_features):
430
+ true_importances[i] = mdi_importance(i, X, y)
431
+
432
+ # Estimate importances with totally randomized trees
433
+ clf = ExtraTreesClassifier(
434
+ n_estimators=500, max_features=1, criterion="log_loss", random_state=0
435
+ ).fit(X, y)
436
+
437
+ importances = (
438
+ sum(
439
+ tree.tree_.compute_feature_importances(normalize=False)
440
+ for tree in clf.estimators_
441
+ )
442
+ / clf.n_estimators
443
+ )
444
+
445
+ # Check correctness
446
+ assert_almost_equal(entropy(y), sum(importances))
447
+ assert np.abs(true_importances - importances).mean() < 0.01
448
+
449
+
450
+ @pytest.mark.parametrize("name", FOREST_ESTIMATORS)
451
+ def test_unfitted_feature_importances(name):
452
+ err_msg = (
453
+ "This {} instance is not fitted yet. Call 'fit' with "
454
+ "appropriate arguments before using this estimator.".format(name)
455
+ )
456
+ with pytest.raises(NotFittedError, match=err_msg):
457
+ getattr(FOREST_ESTIMATORS[name](), "feature_importances_")
458
+
459
+
460
+ @pytest.mark.parametrize("ForestClassifier", FOREST_CLASSIFIERS.values())
461
+ @pytest.mark.parametrize("X_type", ["array", "sparse_csr", "sparse_csc"])
462
+ @pytest.mark.parametrize(
463
+ "X, y, lower_bound_accuracy",
464
+ [
465
+ (
466
+ *datasets.make_classification(n_samples=300, n_classes=2, random_state=0),
467
+ 0.9,
468
+ ),
469
+ (
470
+ *datasets.make_classification(
471
+ n_samples=1000, n_classes=3, n_informative=6, random_state=0
472
+ ),
473
+ 0.65,
474
+ ),
475
+ (
476
+ iris.data,
477
+ iris.target * 2 + 1,
478
+ 0.65,
479
+ ),
480
+ (
481
+ *datasets.make_multilabel_classification(n_samples=300, random_state=0),
482
+ 0.18,
483
+ ),
484
+ ],
485
+ )
486
+ @pytest.mark.parametrize("oob_score", [True, partial(f1_score, average="micro")])
487
+ def test_forest_classifier_oob(
488
+ ForestClassifier, X, y, X_type, lower_bound_accuracy, oob_score
489
+ ):
490
+ """Check that OOB score is close to score on a test set."""
491
+ X = _convert_container(X, constructor_name=X_type)
492
+ X_train, X_test, y_train, y_test = train_test_split(
493
+ X,
494
+ y,
495
+ test_size=0.5,
496
+ random_state=0,
497
+ )
498
+ classifier = ForestClassifier(
499
+ n_estimators=40,
500
+ bootstrap=True,
501
+ oob_score=oob_score,
502
+ random_state=0,
503
+ )
504
+
505
+ assert not hasattr(classifier, "oob_score_")
506
+ assert not hasattr(classifier, "oob_decision_function_")
507
+
508
+ classifier.fit(X_train, y_train)
509
+ if callable(oob_score):
510
+ test_score = oob_score(y_test, classifier.predict(X_test))
511
+ else:
512
+ test_score = classifier.score(X_test, y_test)
513
+ assert classifier.oob_score_ >= lower_bound_accuracy
514
+
515
+ abs_diff = abs(test_score - classifier.oob_score_)
516
+ assert abs_diff <= 0.11, f"{abs_diff=} is greater than 0.11"
517
+
518
+ assert hasattr(classifier, "oob_score_")
519
+ assert not hasattr(classifier, "oob_prediction_")
520
+ assert hasattr(classifier, "oob_decision_function_")
521
+
522
+ if y.ndim == 1:
523
+ expected_shape = (X_train.shape[0], len(set(y)))
524
+ else:
525
+ expected_shape = (X_train.shape[0], len(set(y[:, 0])), y.shape[1])
526
+ assert classifier.oob_decision_function_.shape == expected_shape
527
+
528
+
529
+ @pytest.mark.parametrize("ForestRegressor", FOREST_REGRESSORS.values())
530
+ @pytest.mark.parametrize("X_type", ["array", "sparse_csr", "sparse_csc"])
531
+ @pytest.mark.parametrize(
532
+ "X, y, lower_bound_r2",
533
+ [
534
+ (
535
+ *datasets.make_regression(
536
+ n_samples=500, n_features=10, n_targets=1, random_state=0
537
+ ),
538
+ 0.7,
539
+ ),
540
+ (
541
+ *datasets.make_regression(
542
+ n_samples=500, n_features=10, n_targets=2, random_state=0
543
+ ),
544
+ 0.55,
545
+ ),
546
+ ],
547
+ )
548
+ @pytest.mark.parametrize("oob_score", [True, explained_variance_score])
549
+ def test_forest_regressor_oob(ForestRegressor, X, y, X_type, lower_bound_r2, oob_score):
550
+ """Check that forest-based regressor provide an OOB score close to the
551
+ score on a test set."""
552
+ X = _convert_container(X, constructor_name=X_type)
553
+ X_train, X_test, y_train, y_test = train_test_split(
554
+ X,
555
+ y,
556
+ test_size=0.5,
557
+ random_state=0,
558
+ )
559
+ regressor = ForestRegressor(
560
+ n_estimators=50,
561
+ bootstrap=True,
562
+ oob_score=oob_score,
563
+ random_state=0,
564
+ )
565
+
566
+ assert not hasattr(regressor, "oob_score_")
567
+ assert not hasattr(regressor, "oob_prediction_")
568
+
569
+ regressor.fit(X_train, y_train)
570
+ if callable(oob_score):
571
+ test_score = oob_score(y_test, regressor.predict(X_test))
572
+ else:
573
+ test_score = regressor.score(X_test, y_test)
574
+ assert regressor.oob_score_ >= lower_bound_r2
575
+
576
+ assert abs(test_score - regressor.oob_score_) <= 0.1
577
+
578
+ assert hasattr(regressor, "oob_score_")
579
+ assert hasattr(regressor, "oob_prediction_")
580
+ assert not hasattr(regressor, "oob_decision_function_")
581
+
582
+ if y.ndim == 1:
583
+ expected_shape = (X_train.shape[0],)
584
+ else:
585
+ expected_shape = (X_train.shape[0], y.ndim)
586
+ assert regressor.oob_prediction_.shape == expected_shape
587
+
588
+
589
+ @pytest.mark.parametrize("ForestEstimator", FOREST_CLASSIFIERS_REGRESSORS.values())
590
+ def test_forest_oob_warning(ForestEstimator):
591
+ """Check that a warning is raised when not enough estimator and the OOB
592
+ estimates will be inaccurate."""
593
+ estimator = ForestEstimator(
594
+ n_estimators=1,
595
+ oob_score=True,
596
+ bootstrap=True,
597
+ random_state=0,
598
+ )
599
+ with pytest.warns(UserWarning, match="Some inputs do not have OOB scores"):
600
+ estimator.fit(iris.data, iris.target)
601
+
602
+
603
+ @pytest.mark.parametrize("ForestEstimator", FOREST_CLASSIFIERS_REGRESSORS.values())
604
+ def test_forest_oob_score_requires_bootstrap(ForestEstimator):
605
+ """Check that we raise an error if OOB score is requested without
606
+ activating bootstrapping.
607
+ """
608
+ X = iris.data
609
+ y = iris.target
610
+ err_msg = "Out of bag estimation only available if bootstrap=True"
611
+ estimator = ForestEstimator(oob_score=True, bootstrap=False)
612
+ with pytest.raises(ValueError, match=err_msg):
613
+ estimator.fit(X, y)
614
+
615
+
616
+ @pytest.mark.parametrize("ForestClassifier", FOREST_CLASSIFIERS.values())
617
+ def test_classifier_error_oob_score_multiclass_multioutput(ForestClassifier):
618
+ """Check that we raise an error with when requesting OOB score with
619
+ multiclass-multioutput classification target.
620
+ """
621
+ rng = np.random.RandomState(42)
622
+ X = iris.data
623
+ y = rng.randint(low=0, high=5, size=(iris.data.shape[0], 2))
624
+ y_type = type_of_target(y)
625
+ assert y_type == "multiclass-multioutput"
626
+ estimator = ForestClassifier(oob_score=True, bootstrap=True)
627
+ err_msg = "The type of target cannot be used to compute OOB estimates"
628
+ with pytest.raises(ValueError, match=err_msg):
629
+ estimator.fit(X, y)
630
+
631
+
632
+ @pytest.mark.parametrize("ForestRegressor", FOREST_REGRESSORS.values())
633
+ def test_forest_multioutput_integral_regression_target(ForestRegressor):
634
+ """Check that multioutput regression with integral values is not interpreted
635
+ as a multiclass-multioutput target and OOB score can be computed.
636
+ """
637
+ rng = np.random.RandomState(42)
638
+ X = iris.data
639
+ y = rng.randint(low=0, high=10, size=(iris.data.shape[0], 2))
640
+ estimator = ForestRegressor(
641
+ n_estimators=30, oob_score=True, bootstrap=True, random_state=0
642
+ )
643
+ estimator.fit(X, y)
644
+
645
+ n_samples_bootstrap = _get_n_samples_bootstrap(len(X), estimator.max_samples)
646
+ n_samples_test = X.shape[0] // 4
647
+ oob_pred = np.zeros([n_samples_test, 2])
648
+ for sample_idx, sample in enumerate(X[:n_samples_test]):
649
+ n_samples_oob = 0
650
+ oob_pred_sample = np.zeros(2)
651
+ for tree in estimator.estimators_:
652
+ oob_unsampled_indices = _generate_unsampled_indices(
653
+ tree.random_state, len(X), n_samples_bootstrap
654
+ )
655
+ if sample_idx in oob_unsampled_indices:
656
+ n_samples_oob += 1
657
+ oob_pred_sample += tree.predict(sample.reshape(1, -1)).squeeze()
658
+ oob_pred[sample_idx] = oob_pred_sample / n_samples_oob
659
+ assert_allclose(oob_pred, estimator.oob_prediction_[:n_samples_test])
660
+
661
+
662
+ @pytest.mark.parametrize("oob_score", [True, False])
663
+ def test_random_trees_embedding_raise_error_oob(oob_score):
664
+ with pytest.raises(TypeError, match="got an unexpected keyword argument"):
665
+ RandomTreesEmbedding(oob_score=oob_score)
666
+ with pytest.raises(NotImplementedError, match="OOB score not supported"):
667
+ RandomTreesEmbedding()._set_oob_score_and_attributes(X, y)
668
+
669
+
670
+ @pytest.mark.parametrize("name", FOREST_CLASSIFIERS)
671
+ def test_gridsearch(name):
672
+ # Check that base trees can be grid-searched.
673
+ forest = FOREST_CLASSIFIERS[name]()
674
+ clf = GridSearchCV(forest, {"n_estimators": (1, 2), "max_depth": (1, 2)})
675
+ clf.fit(iris.data, iris.target)
676
+
677
+
678
+ @pytest.mark.parametrize("name", FOREST_CLASSIFIERS_REGRESSORS)
679
+ def test_parallel(name):
680
+ """Check parallel computations in classification"""
681
+ if name in FOREST_CLASSIFIERS:
682
+ X = iris.data
683
+ y = iris.target
684
+ elif name in FOREST_REGRESSORS:
685
+ X = X_reg
686
+ y = y_reg
687
+
688
+ ForestEstimator = FOREST_ESTIMATORS[name]
689
+ forest = ForestEstimator(n_estimators=10, n_jobs=3, random_state=0)
690
+
691
+ forest.fit(X, y)
692
+ assert len(forest) == 10
693
+
694
+ forest.set_params(n_jobs=1)
695
+ y1 = forest.predict(X)
696
+ forest.set_params(n_jobs=2)
697
+ y2 = forest.predict(X)
698
+ assert_array_almost_equal(y1, y2, 3)
699
+
700
+
701
+ @pytest.mark.parametrize("name", FOREST_CLASSIFIERS_REGRESSORS)
702
+ def test_pickle(name):
703
+ # Check pickability.
704
+ if name in FOREST_CLASSIFIERS:
705
+ X = iris.data[::2]
706
+ y = iris.target[::2]
707
+ elif name in FOREST_REGRESSORS:
708
+ X = X_reg[::2]
709
+ y = y_reg[::2]
710
+
711
+ ForestEstimator = FOREST_ESTIMATORS[name]
712
+ obj = ForestEstimator(random_state=0)
713
+ obj.fit(X, y)
714
+ score = obj.score(X, y)
715
+ pickle_object = pickle.dumps(obj)
716
+
717
+ obj2 = pickle.loads(pickle_object)
718
+ assert type(obj2) == obj.__class__
719
+ score2 = obj2.score(X, y)
720
+ assert score == score2
721
+
722
+
723
+ @pytest.mark.parametrize("name", FOREST_CLASSIFIERS_REGRESSORS)
724
+ def test_multioutput(name):
725
+ # Check estimators on multi-output problems.
726
+
727
+ X_train = [
728
+ [-2, -1],
729
+ [-1, -1],
730
+ [-1, -2],
731
+ [1, 1],
732
+ [1, 2],
733
+ [2, 1],
734
+ [-2, 1],
735
+ [-1, 1],
736
+ [-1, 2],
737
+ [2, -1],
738
+ [1, -1],
739
+ [1, -2],
740
+ ]
741
+ y_train = [
742
+ [-1, 0],
743
+ [-1, 0],
744
+ [-1, 0],
745
+ [1, 1],
746
+ [1, 1],
747
+ [1, 1],
748
+ [-1, 2],
749
+ [-1, 2],
750
+ [-1, 2],
751
+ [1, 3],
752
+ [1, 3],
753
+ [1, 3],
754
+ ]
755
+ X_test = [[-1, -1], [1, 1], [-1, 1], [1, -1]]
756
+ y_test = [[-1, 0], [1, 1], [-1, 2], [1, 3]]
757
+
758
+ est = FOREST_ESTIMATORS[name](random_state=0, bootstrap=False)
759
+ y_pred = est.fit(X_train, y_train).predict(X_test)
760
+ assert_array_almost_equal(y_pred, y_test)
761
+
762
+ if name in FOREST_CLASSIFIERS:
763
+ with np.errstate(divide="ignore"):
764
+ proba = est.predict_proba(X_test)
765
+ assert len(proba) == 2
766
+ assert proba[0].shape == (4, 2)
767
+ assert proba[1].shape == (4, 4)
768
+
769
+ log_proba = est.predict_log_proba(X_test)
770
+ assert len(log_proba) == 2
771
+ assert log_proba[0].shape == (4, 2)
772
+ assert log_proba[1].shape == (4, 4)
773
+
774
+
775
+ @pytest.mark.parametrize("name", FOREST_CLASSIFIERS)
776
+ def test_multioutput_string(name):
777
+ # Check estimators on multi-output problems with string outputs.
778
+
779
+ X_train = [
780
+ [-2, -1],
781
+ [-1, -1],
782
+ [-1, -2],
783
+ [1, 1],
784
+ [1, 2],
785
+ [2, 1],
786
+ [-2, 1],
787
+ [-1, 1],
788
+ [-1, 2],
789
+ [2, -1],
790
+ [1, -1],
791
+ [1, -2],
792
+ ]
793
+ y_train = [
794
+ ["red", "blue"],
795
+ ["red", "blue"],
796
+ ["red", "blue"],
797
+ ["green", "green"],
798
+ ["green", "green"],
799
+ ["green", "green"],
800
+ ["red", "purple"],
801
+ ["red", "purple"],
802
+ ["red", "purple"],
803
+ ["green", "yellow"],
804
+ ["green", "yellow"],
805
+ ["green", "yellow"],
806
+ ]
807
+ X_test = [[-1, -1], [1, 1], [-1, 1], [1, -1]]
808
+ y_test = [
809
+ ["red", "blue"],
810
+ ["green", "green"],
811
+ ["red", "purple"],
812
+ ["green", "yellow"],
813
+ ]
814
+
815
+ est = FOREST_ESTIMATORS[name](random_state=0, bootstrap=False)
816
+ y_pred = est.fit(X_train, y_train).predict(X_test)
817
+ assert_array_equal(y_pred, y_test)
818
+
819
+ with np.errstate(divide="ignore"):
820
+ proba = est.predict_proba(X_test)
821
+ assert len(proba) == 2
822
+ assert proba[0].shape == (4, 2)
823
+ assert proba[1].shape == (4, 4)
824
+
825
+ log_proba = est.predict_log_proba(X_test)
826
+ assert len(log_proba) == 2
827
+ assert log_proba[0].shape == (4, 2)
828
+ assert log_proba[1].shape == (4, 4)
829
+
830
+
831
+ @pytest.mark.parametrize("name", FOREST_CLASSIFIERS)
832
+ def test_classes_shape(name):
833
+ # Test that n_classes_ and classes_ have proper shape.
834
+ ForestClassifier = FOREST_CLASSIFIERS[name]
835
+
836
+ # Classification, single output
837
+ clf = ForestClassifier(random_state=0).fit(X, y)
838
+
839
+ assert clf.n_classes_ == 2
840
+ assert_array_equal(clf.classes_, [-1, 1])
841
+
842
+ # Classification, multi-output
843
+ _y = np.vstack((y, np.array(y) * 2)).T
844
+ clf = ForestClassifier(random_state=0).fit(X, _y)
845
+
846
+ assert_array_equal(clf.n_classes_, [2, 2])
847
+ assert_array_equal(clf.classes_, [[-1, 1], [-2, 2]])
848
+
849
+
850
+ def test_random_trees_dense_type():
851
+ # Test that the `sparse_output` parameter of RandomTreesEmbedding
852
+ # works by returning a dense array.
853
+
854
+ # Create the RTE with sparse=False
855
+ hasher = RandomTreesEmbedding(n_estimators=10, sparse_output=False)
856
+ X, y = datasets.make_circles(factor=0.5)
857
+ X_transformed = hasher.fit_transform(X)
858
+
859
+ # Assert that type is ndarray, not scipy.sparse.csr_matrix
860
+ assert isinstance(X_transformed, np.ndarray)
861
+
862
+
863
+ def test_random_trees_dense_equal():
864
+ # Test that the `sparse_output` parameter of RandomTreesEmbedding
865
+ # works by returning the same array for both argument values.
866
+
867
+ # Create the RTEs
868
+ hasher_dense = RandomTreesEmbedding(
869
+ n_estimators=10, sparse_output=False, random_state=0
870
+ )
871
+ hasher_sparse = RandomTreesEmbedding(
872
+ n_estimators=10, sparse_output=True, random_state=0
873
+ )
874
+ X, y = datasets.make_circles(factor=0.5)
875
+ X_transformed_dense = hasher_dense.fit_transform(X)
876
+ X_transformed_sparse = hasher_sparse.fit_transform(X)
877
+
878
+ # Assert that dense and sparse hashers have same array.
879
+ assert_array_equal(X_transformed_sparse.toarray(), X_transformed_dense)
880
+
881
+
882
+ def test_random_hasher():
883
+ # test random forest hashing on circles dataset
884
+ # make sure that it is linearly separable.
885
+ # even after projected to two SVD dimensions
886
+ # Note: Not all random_states produce perfect results.
887
+ hasher = RandomTreesEmbedding(n_estimators=30, random_state=1)
888
+ X, y = datasets.make_circles(factor=0.5)
889
+ X_transformed = hasher.fit_transform(X)
890
+
891
+ # test fit and transform:
892
+ hasher = RandomTreesEmbedding(n_estimators=30, random_state=1)
893
+ assert_array_equal(hasher.fit(X).transform(X).toarray(), X_transformed.toarray())
894
+
895
+ # one leaf active per data point per forest
896
+ assert X_transformed.shape[0] == X.shape[0]
897
+ assert_array_equal(X_transformed.sum(axis=1), hasher.n_estimators)
898
+ svd = TruncatedSVD(n_components=2)
899
+ X_reduced = svd.fit_transform(X_transformed)
900
+ linear_clf = LinearSVC()
901
+ linear_clf.fit(X_reduced, y)
902
+ assert linear_clf.score(X_reduced, y) == 1.0
903
+
904
+
905
+ @pytest.mark.parametrize("csc_container", CSC_CONTAINERS)
906
+ def test_random_hasher_sparse_data(csc_container):
907
+ X, y = datasets.make_multilabel_classification(random_state=0)
908
+ hasher = RandomTreesEmbedding(n_estimators=30, random_state=1)
909
+ X_transformed = hasher.fit_transform(X)
910
+ X_transformed_sparse = hasher.fit_transform(csc_container(X))
911
+ assert_array_equal(X_transformed_sparse.toarray(), X_transformed.toarray())
912
+
913
+
914
+ def test_parallel_train():
915
+ rng = check_random_state(12321)
916
+ n_samples, n_features = 80, 30
917
+ X_train = rng.randn(n_samples, n_features)
918
+ y_train = rng.randint(0, 2, n_samples)
919
+
920
+ clfs = [
921
+ RandomForestClassifier(n_estimators=20, n_jobs=n_jobs, random_state=12345).fit(
922
+ X_train, y_train
923
+ )
924
+ for n_jobs in [1, 2, 3, 8, 16, 32]
925
+ ]
926
+
927
+ X_test = rng.randn(n_samples, n_features)
928
+ probas = [clf.predict_proba(X_test) for clf in clfs]
929
+ for proba1, proba2 in zip(probas, probas[1:]):
930
+ assert_array_almost_equal(proba1, proba2)
931
+
932
+
933
+ def test_distribution():
934
+ rng = check_random_state(12321)
935
+
936
+ # Single variable with 4 values
937
+ X = rng.randint(0, 4, size=(1000, 1))
938
+ y = rng.rand(1000)
939
+ n_trees = 500
940
+
941
+ reg = ExtraTreesRegressor(n_estimators=n_trees, random_state=42).fit(X, y)
942
+
943
+ uniques = defaultdict(int)
944
+ for tree in reg.estimators_:
945
+ tree = "".join(
946
+ ("%d,%d/" % (f, int(t)) if f >= 0 else "-")
947
+ for f, t in zip(tree.tree_.feature, tree.tree_.threshold)
948
+ )
949
+
950
+ uniques[tree] += 1
951
+
952
+ uniques = sorted([(1.0 * count / n_trees, tree) for tree, count in uniques.items()])
953
+
954
+ # On a single variable problem where X_0 has 4 equiprobable values, there
955
+ # are 5 ways to build a random tree. The more compact (0,1/0,0/--0,2/--) of
956
+ # them has probability 1/3 while the 4 others have probability 1/6.
957
+
958
+ assert len(uniques) == 5
959
+ assert 0.20 > uniques[0][0] # Rough approximation of 1/6.
960
+ assert 0.20 > uniques[1][0]
961
+ assert 0.20 > uniques[2][0]
962
+ assert 0.20 > uniques[3][0]
963
+ assert uniques[4][0] > 0.3
964
+ assert uniques[4][1] == "0,1/0,0/--0,2/--"
965
+
966
+ # Two variables, one with 2 values, one with 3 values
967
+ X = np.empty((1000, 2))
968
+ X[:, 0] = np.random.randint(0, 2, 1000)
969
+ X[:, 1] = np.random.randint(0, 3, 1000)
970
+ y = rng.rand(1000)
971
+
972
+ reg = ExtraTreesRegressor(max_features=1, random_state=1).fit(X, y)
973
+
974
+ uniques = defaultdict(int)
975
+ for tree in reg.estimators_:
976
+ tree = "".join(
977
+ ("%d,%d/" % (f, int(t)) if f >= 0 else "-")
978
+ for f, t in zip(tree.tree_.feature, tree.tree_.threshold)
979
+ )
980
+
981
+ uniques[tree] += 1
982
+
983
+ uniques = [(count, tree) for tree, count in uniques.items()]
984
+ assert len(uniques) == 8
985
+
986
+
987
+ @pytest.mark.parametrize("name", FOREST_ESTIMATORS)
988
+ def test_max_leaf_nodes_max_depth(name):
989
+ X, y = hastie_X, hastie_y
990
+
991
+ # Test precedence of max_leaf_nodes over max_depth.
992
+ ForestEstimator = FOREST_ESTIMATORS[name]
993
+ est = ForestEstimator(
994
+ max_depth=1, max_leaf_nodes=4, n_estimators=1, random_state=0
995
+ ).fit(X, y)
996
+ assert est.estimators_[0].get_depth() == 1
997
+
998
+ est = ForestEstimator(max_depth=1, n_estimators=1, random_state=0).fit(X, y)
999
+ assert est.estimators_[0].get_depth() == 1
1000
+
1001
+
1002
+ @pytest.mark.parametrize("name", FOREST_ESTIMATORS)
1003
+ def test_min_samples_split(name):
1004
+ X, y = hastie_X, hastie_y
1005
+ ForestEstimator = FOREST_ESTIMATORS[name]
1006
+
1007
+ est = ForestEstimator(min_samples_split=10, n_estimators=1, random_state=0)
1008
+ est.fit(X, y)
1009
+ node_idx = est.estimators_[0].tree_.children_left != -1
1010
+ node_samples = est.estimators_[0].tree_.n_node_samples[node_idx]
1011
+
1012
+ assert np.min(node_samples) > len(X) * 0.5 - 1, "Failed with {0}".format(name)
1013
+
1014
+ est = ForestEstimator(min_samples_split=0.5, n_estimators=1, random_state=0)
1015
+ est.fit(X, y)
1016
+ node_idx = est.estimators_[0].tree_.children_left != -1
1017
+ node_samples = est.estimators_[0].tree_.n_node_samples[node_idx]
1018
+
1019
+ assert np.min(node_samples) > len(X) * 0.5 - 1, "Failed with {0}".format(name)
1020
+
1021
+
1022
+ @pytest.mark.parametrize("name", FOREST_ESTIMATORS)
1023
+ def test_min_samples_leaf(name):
1024
+ X, y = hastie_X, hastie_y
1025
+
1026
+ # Test if leaves contain more than leaf_count training examples
1027
+ ForestEstimator = FOREST_ESTIMATORS[name]
1028
+
1029
+ est = ForestEstimator(min_samples_leaf=5, n_estimators=1, random_state=0)
1030
+ est.fit(X, y)
1031
+ out = est.estimators_[0].tree_.apply(X)
1032
+ node_counts = np.bincount(out)
1033
+ # drop inner nodes
1034
+ leaf_count = node_counts[node_counts != 0]
1035
+ assert np.min(leaf_count) > 4, "Failed with {0}".format(name)
1036
+
1037
+ est = ForestEstimator(min_samples_leaf=0.25, n_estimators=1, random_state=0)
1038
+ est.fit(X, y)
1039
+ out = est.estimators_[0].tree_.apply(X)
1040
+ node_counts = np.bincount(out)
1041
+ # drop inner nodes
1042
+ leaf_count = node_counts[node_counts != 0]
1043
+ assert np.min(leaf_count) > len(X) * 0.25 - 1, "Failed with {0}".format(name)
1044
+
1045
+
1046
+ @pytest.mark.parametrize("name", FOREST_ESTIMATORS)
1047
+ def test_min_weight_fraction_leaf(name):
1048
+ X, y = hastie_X, hastie_y
1049
+
1050
+ # Test if leaves contain at least min_weight_fraction_leaf of the
1051
+ # training set
1052
+ ForestEstimator = FOREST_ESTIMATORS[name]
1053
+ rng = np.random.RandomState(0)
1054
+ weights = rng.rand(X.shape[0])
1055
+ total_weight = np.sum(weights)
1056
+
1057
+ # test both DepthFirstTreeBuilder and BestFirstTreeBuilder
1058
+ # by setting max_leaf_nodes
1059
+ for frac in np.linspace(0, 0.5, 6):
1060
+ est = ForestEstimator(
1061
+ min_weight_fraction_leaf=frac, n_estimators=1, random_state=0
1062
+ )
1063
+ if "RandomForest" in name:
1064
+ est.bootstrap = False
1065
+
1066
+ est.fit(X, y, sample_weight=weights)
1067
+ out = est.estimators_[0].tree_.apply(X)
1068
+ node_weights = np.bincount(out, weights=weights)
1069
+ # drop inner nodes
1070
+ leaf_weights = node_weights[node_weights != 0]
1071
+ assert (
1072
+ np.min(leaf_weights) >= total_weight * est.min_weight_fraction_leaf
1073
+ ), "Failed with {0} min_weight_fraction_leaf={1}".format(
1074
+ name, est.min_weight_fraction_leaf
1075
+ )
1076
+
1077
+
1078
+ @pytest.mark.parametrize("name", FOREST_ESTIMATORS)
1079
+ @pytest.mark.parametrize(
1080
+ "sparse_container", COO_CONTAINERS + CSC_CONTAINERS + CSR_CONTAINERS
1081
+ )
1082
+ def test_sparse_input(name, sparse_container):
1083
+ X, y = datasets.make_multilabel_classification(random_state=0, n_samples=50)
1084
+
1085
+ ForestEstimator = FOREST_ESTIMATORS[name]
1086
+
1087
+ dense = ForestEstimator(random_state=0, max_depth=2).fit(X, y)
1088
+ sparse = ForestEstimator(random_state=0, max_depth=2).fit(sparse_container(X), y)
1089
+
1090
+ assert_array_almost_equal(sparse.apply(X), dense.apply(X))
1091
+
1092
+ if name in FOREST_CLASSIFIERS or name in FOREST_REGRESSORS:
1093
+ assert_array_almost_equal(sparse.predict(X), dense.predict(X))
1094
+ assert_array_almost_equal(
1095
+ sparse.feature_importances_, dense.feature_importances_
1096
+ )
1097
+
1098
+ if name in FOREST_CLASSIFIERS:
1099
+ assert_array_almost_equal(sparse.predict_proba(X), dense.predict_proba(X))
1100
+ assert_array_almost_equal(
1101
+ sparse.predict_log_proba(X), dense.predict_log_proba(X)
1102
+ )
1103
+
1104
+ if name in FOREST_TRANSFORMERS:
1105
+ assert_array_almost_equal(
1106
+ sparse.transform(X).toarray(), dense.transform(X).toarray()
1107
+ )
1108
+ assert_array_almost_equal(
1109
+ sparse.fit_transform(X).toarray(), dense.fit_transform(X).toarray()
1110
+ )
1111
+
1112
+
1113
+ @pytest.mark.parametrize("name", FOREST_CLASSIFIERS_REGRESSORS)
1114
+ @pytest.mark.parametrize("dtype", (np.float64, np.float32))
1115
+ def test_memory_layout(name, dtype):
1116
+ # Test that it works no matter the memory layout
1117
+ est = FOREST_ESTIMATORS[name](random_state=0, bootstrap=False)
1118
+
1119
+ # Dense
1120
+ for container, kwargs in (
1121
+ (np.asarray, {}), # Nothing
1122
+ (np.asarray, {"order": "C"}), # C-order
1123
+ (np.asarray, {"order": "F"}), # F-order
1124
+ (np.ascontiguousarray, {}), # Contiguous
1125
+ ):
1126
+ X = container(iris.data, dtype=dtype, **kwargs)
1127
+ y = iris.target
1128
+ assert_array_almost_equal(est.fit(X, y).predict(X), y)
1129
+
1130
+ # Sparse (if applicable)
1131
+ if est.estimator.splitter in SPARSE_SPLITTERS:
1132
+ for sparse_container in COO_CONTAINERS + CSC_CONTAINERS + CSR_CONTAINERS:
1133
+ X = sparse_container(iris.data, dtype=dtype)
1134
+ y = iris.target
1135
+ assert_array_almost_equal(est.fit(X, y).predict(X), y)
1136
+
1137
+ # Strided
1138
+ X = np.asarray(iris.data[::3], dtype=dtype)
1139
+ y = iris.target[::3]
1140
+ assert_array_almost_equal(est.fit(X, y).predict(X), y)
1141
+
1142
+
1143
+ @pytest.mark.parametrize("name", FOREST_ESTIMATORS)
1144
+ def test_1d_input(name):
1145
+ X = iris.data[:, 0]
1146
+ X_2d = iris.data[:, 0].reshape((-1, 1))
1147
+ y = iris.target
1148
+
1149
+ with ignore_warnings():
1150
+ ForestEstimator = FOREST_ESTIMATORS[name]
1151
+ with pytest.raises(ValueError):
1152
+ ForestEstimator(n_estimators=1, random_state=0).fit(X, y)
1153
+
1154
+ est = ForestEstimator(random_state=0)
1155
+ est.fit(X_2d, y)
1156
+
1157
+ if name in FOREST_CLASSIFIERS or name in FOREST_REGRESSORS:
1158
+ with pytest.raises(ValueError):
1159
+ est.predict(X)
1160
+
1161
+
1162
+ @pytest.mark.parametrize("name", FOREST_CLASSIFIERS)
1163
+ def test_class_weights(name):
1164
+ # Check class_weights resemble sample_weights behavior.
1165
+ ForestClassifier = FOREST_CLASSIFIERS[name]
1166
+
1167
+ # Iris is balanced, so no effect expected for using 'balanced' weights
1168
+ clf1 = ForestClassifier(random_state=0)
1169
+ clf1.fit(iris.data, iris.target)
1170
+ clf2 = ForestClassifier(class_weight="balanced", random_state=0)
1171
+ clf2.fit(iris.data, iris.target)
1172
+ assert_almost_equal(clf1.feature_importances_, clf2.feature_importances_)
1173
+
1174
+ # Make a multi-output problem with three copies of Iris
1175
+ iris_multi = np.vstack((iris.target, iris.target, iris.target)).T
1176
+ # Create user-defined weights that should balance over the outputs
1177
+ clf3 = ForestClassifier(
1178
+ class_weight=[
1179
+ {0: 2.0, 1: 2.0, 2: 1.0},
1180
+ {0: 2.0, 1: 1.0, 2: 2.0},
1181
+ {0: 1.0, 1: 2.0, 2: 2.0},
1182
+ ],
1183
+ random_state=0,
1184
+ )
1185
+ clf3.fit(iris.data, iris_multi)
1186
+ assert_almost_equal(clf2.feature_importances_, clf3.feature_importances_)
1187
+ # Check against multi-output "balanced" which should also have no effect
1188
+ clf4 = ForestClassifier(class_weight="balanced", random_state=0)
1189
+ clf4.fit(iris.data, iris_multi)
1190
+ assert_almost_equal(clf3.feature_importances_, clf4.feature_importances_)
1191
+
1192
+ # Inflate importance of class 1, check against user-defined weights
1193
+ sample_weight = np.ones(iris.target.shape)
1194
+ sample_weight[iris.target == 1] *= 100
1195
+ class_weight = {0: 1.0, 1: 100.0, 2: 1.0}
1196
+ clf1 = ForestClassifier(random_state=0)
1197
+ clf1.fit(iris.data, iris.target, sample_weight)
1198
+ clf2 = ForestClassifier(class_weight=class_weight, random_state=0)
1199
+ clf2.fit(iris.data, iris.target)
1200
+ assert_almost_equal(clf1.feature_importances_, clf2.feature_importances_)
1201
+
1202
+ # Check that sample_weight and class_weight are multiplicative
1203
+ clf1 = ForestClassifier(random_state=0)
1204
+ clf1.fit(iris.data, iris.target, sample_weight**2)
1205
+ clf2 = ForestClassifier(class_weight=class_weight, random_state=0)
1206
+ clf2.fit(iris.data, iris.target, sample_weight)
1207
+ assert_almost_equal(clf1.feature_importances_, clf2.feature_importances_)
1208
+
1209
+
1210
+ @pytest.mark.parametrize("name", FOREST_CLASSIFIERS)
1211
+ def test_class_weight_balanced_and_bootstrap_multi_output(name):
1212
+ # Test class_weight works for multi-output"""
1213
+ ForestClassifier = FOREST_CLASSIFIERS[name]
1214
+ _y = np.vstack((y, np.array(y) * 2)).T
1215
+ clf = ForestClassifier(class_weight="balanced", random_state=0)
1216
+ clf.fit(X, _y)
1217
+ clf = ForestClassifier(
1218
+ class_weight=[{-1: 0.5, 1: 1.0}, {-2: 1.0, 2: 1.0}], random_state=0
1219
+ )
1220
+ clf.fit(X, _y)
1221
+ # smoke test for balanced subsample
1222
+ clf = ForestClassifier(class_weight="balanced_subsample", random_state=0)
1223
+ clf.fit(X, _y)
1224
+
1225
+
1226
+ @pytest.mark.parametrize("name", FOREST_CLASSIFIERS)
1227
+ def test_class_weight_errors(name):
1228
+ # Test if class_weight raises errors and warnings when expected.
1229
+ ForestClassifier = FOREST_CLASSIFIERS[name]
1230
+ _y = np.vstack((y, np.array(y) * 2)).T
1231
+
1232
+ # Warning warm_start with preset
1233
+ clf = ForestClassifier(class_weight="balanced", warm_start=True, random_state=0)
1234
+ clf.fit(X, y)
1235
+
1236
+ warn_msg = (
1237
+ "Warm-start fitting without increasing n_estimators does not fit new trees."
1238
+ )
1239
+ with pytest.warns(UserWarning, match=warn_msg):
1240
+ clf.fit(X, _y)
1241
+
1242
+ # Incorrect length list for multi-output
1243
+ clf = ForestClassifier(class_weight=[{-1: 0.5, 1: 1.0}], random_state=0)
1244
+ with pytest.raises(ValueError):
1245
+ clf.fit(X, _y)
1246
+
1247
+
1248
+ @pytest.mark.parametrize("name", FOREST_ESTIMATORS)
1249
+ def test_warm_start(name):
1250
+ # Test if fitting incrementally with warm start gives a forest of the
1251
+ # right size and the same results as a normal fit.
1252
+ X, y = hastie_X, hastie_y
1253
+ ForestEstimator = FOREST_ESTIMATORS[name]
1254
+ est_ws = None
1255
+ for n_estimators in [5, 10]:
1256
+ if est_ws is None:
1257
+ est_ws = ForestEstimator(
1258
+ n_estimators=n_estimators, random_state=42, warm_start=True
1259
+ )
1260
+ else:
1261
+ est_ws.set_params(n_estimators=n_estimators)
1262
+ est_ws.fit(X, y)
1263
+ assert len(est_ws) == n_estimators
1264
+
1265
+ est_no_ws = ForestEstimator(n_estimators=10, random_state=42, warm_start=False)
1266
+ est_no_ws.fit(X, y)
1267
+
1268
+ assert set([tree.random_state for tree in est_ws]) == set(
1269
+ [tree.random_state for tree in est_no_ws]
1270
+ )
1271
+
1272
+ assert_array_equal(
1273
+ est_ws.apply(X), est_no_ws.apply(X), err_msg="Failed with {0}".format(name)
1274
+ )
1275
+
1276
+
1277
+ @pytest.mark.parametrize("name", FOREST_ESTIMATORS)
1278
+ def test_warm_start_clear(name):
1279
+ # Test if fit clears state and grows a new forest when warm_start==False.
1280
+ X, y = hastie_X, hastie_y
1281
+ ForestEstimator = FOREST_ESTIMATORS[name]
1282
+ est = ForestEstimator(n_estimators=5, max_depth=1, warm_start=False, random_state=1)
1283
+ est.fit(X, y)
1284
+
1285
+ est_2 = ForestEstimator(
1286
+ n_estimators=5, max_depth=1, warm_start=True, random_state=2
1287
+ )
1288
+ est_2.fit(X, y) # inits state
1289
+ est_2.set_params(warm_start=False, random_state=1)
1290
+ est_2.fit(X, y) # clears old state and equals est
1291
+
1292
+ assert_array_almost_equal(est_2.apply(X), est.apply(X))
1293
+
1294
+
1295
+ @pytest.mark.parametrize("name", FOREST_ESTIMATORS)
1296
+ def test_warm_start_smaller_n_estimators(name):
1297
+ # Test if warm start second fit with smaller n_estimators raises error.
1298
+ X, y = hastie_X, hastie_y
1299
+ ForestEstimator = FOREST_ESTIMATORS[name]
1300
+ est = ForestEstimator(n_estimators=5, max_depth=1, warm_start=True)
1301
+ est.fit(X, y)
1302
+ est.set_params(n_estimators=4)
1303
+ with pytest.raises(ValueError):
1304
+ est.fit(X, y)
1305
+
1306
+
1307
+ @pytest.mark.parametrize("name", FOREST_ESTIMATORS)
1308
+ def test_warm_start_equal_n_estimators(name):
1309
+ # Test if warm start with equal n_estimators does nothing and returns the
1310
+ # same forest and raises a warning.
1311
+ X, y = hastie_X, hastie_y
1312
+ ForestEstimator = FOREST_ESTIMATORS[name]
1313
+ est = ForestEstimator(n_estimators=5, max_depth=3, warm_start=True, random_state=1)
1314
+ est.fit(X, y)
1315
+
1316
+ est_2 = ForestEstimator(
1317
+ n_estimators=5, max_depth=3, warm_start=True, random_state=1
1318
+ )
1319
+ est_2.fit(X, y)
1320
+ # Now est_2 equals est.
1321
+
1322
+ est_2.set_params(random_state=2)
1323
+ warn_msg = (
1324
+ "Warm-start fitting without increasing n_estimators does not fit new trees."
1325
+ )
1326
+ with pytest.warns(UserWarning, match=warn_msg):
1327
+ est_2.fit(X, y)
1328
+ # If we had fit the trees again we would have got a different forest as we
1329
+ # changed the random state.
1330
+ assert_array_equal(est.apply(X), est_2.apply(X))
1331
+
1332
+
1333
+ @pytest.mark.parametrize("name", FOREST_CLASSIFIERS_REGRESSORS)
1334
+ def test_warm_start_oob(name):
1335
+ # Test that the warm start computes oob score when asked.
1336
+ X, y = hastie_X, hastie_y
1337
+ ForestEstimator = FOREST_ESTIMATORS[name]
1338
+ # Use 15 estimators to avoid 'some inputs do not have OOB scores' warning.
1339
+ est = ForestEstimator(
1340
+ n_estimators=15,
1341
+ max_depth=3,
1342
+ warm_start=False,
1343
+ random_state=1,
1344
+ bootstrap=True,
1345
+ oob_score=True,
1346
+ )
1347
+ est.fit(X, y)
1348
+
1349
+ est_2 = ForestEstimator(
1350
+ n_estimators=5,
1351
+ max_depth=3,
1352
+ warm_start=False,
1353
+ random_state=1,
1354
+ bootstrap=True,
1355
+ oob_score=False,
1356
+ )
1357
+ est_2.fit(X, y)
1358
+
1359
+ est_2.set_params(warm_start=True, oob_score=True, n_estimators=15)
1360
+ est_2.fit(X, y)
1361
+
1362
+ assert hasattr(est_2, "oob_score_")
1363
+ assert est.oob_score_ == est_2.oob_score_
1364
+
1365
+ # Test that oob_score is computed even if we don't need to train
1366
+ # additional trees.
1367
+ est_3 = ForestEstimator(
1368
+ n_estimators=15,
1369
+ max_depth=3,
1370
+ warm_start=True,
1371
+ random_state=1,
1372
+ bootstrap=True,
1373
+ oob_score=False,
1374
+ )
1375
+ est_3.fit(X, y)
1376
+ assert not hasattr(est_3, "oob_score_")
1377
+
1378
+ est_3.set_params(oob_score=True)
1379
+ ignore_warnings(est_3.fit)(X, y)
1380
+
1381
+ assert est.oob_score_ == est_3.oob_score_
1382
+
1383
+
1384
+ @pytest.mark.parametrize("name", FOREST_CLASSIFIERS_REGRESSORS)
1385
+ def test_oob_not_computed_twice(name):
1386
+ # Check that oob_score is not computed twice when warm_start=True.
1387
+ X, y = hastie_X, hastie_y
1388
+ ForestEstimator = FOREST_ESTIMATORS[name]
1389
+
1390
+ est = ForestEstimator(
1391
+ n_estimators=10, warm_start=True, bootstrap=True, oob_score=True
1392
+ )
1393
+
1394
+ with patch.object(
1395
+ est, "_set_oob_score_and_attributes", wraps=est._set_oob_score_and_attributes
1396
+ ) as mock_set_oob_score_and_attributes:
1397
+ est.fit(X, y)
1398
+
1399
+ with pytest.warns(UserWarning, match="Warm-start fitting without increasing"):
1400
+ est.fit(X, y)
1401
+
1402
+ mock_set_oob_score_and_attributes.assert_called_once()
1403
+
1404
+
1405
+ def test_dtype_convert(n_classes=15):
1406
+ classifier = RandomForestClassifier(random_state=0, bootstrap=False)
1407
+
1408
+ X = np.eye(n_classes)
1409
+ y = [ch for ch in "ABCDEFGHIJKLMNOPQRSTU"[:n_classes]]
1410
+
1411
+ result = classifier.fit(X, y).predict(X)
1412
+ assert_array_equal(classifier.classes_, y)
1413
+ assert_array_equal(result, y)
1414
+
1415
+
1416
+ @pytest.mark.parametrize("name", FOREST_CLASSIFIERS_REGRESSORS)
1417
+ def test_decision_path(name):
1418
+ X, y = hastie_X, hastie_y
1419
+ n_samples = X.shape[0]
1420
+ ForestEstimator = FOREST_ESTIMATORS[name]
1421
+ est = ForestEstimator(n_estimators=5, max_depth=1, warm_start=False, random_state=1)
1422
+ est.fit(X, y)
1423
+ indicator, n_nodes_ptr = est.decision_path(X)
1424
+
1425
+ assert indicator.shape[1] == n_nodes_ptr[-1]
1426
+ assert indicator.shape[0] == n_samples
1427
+ assert_array_equal(
1428
+ np.diff(n_nodes_ptr), [e.tree_.node_count for e in est.estimators_]
1429
+ )
1430
+
1431
+ # Assert that leaves index are correct
1432
+ leaves = est.apply(X)
1433
+ for est_id in range(leaves.shape[1]):
1434
+ leave_indicator = [
1435
+ indicator[i, n_nodes_ptr[est_id] + j]
1436
+ for i, j in enumerate(leaves[:, est_id])
1437
+ ]
1438
+ assert_array_almost_equal(leave_indicator, np.ones(shape=n_samples))
1439
+
1440
+
1441
+ def test_min_impurity_decrease():
1442
+ X, y = datasets.make_hastie_10_2(n_samples=100, random_state=1)
1443
+ all_estimators = [
1444
+ RandomForestClassifier,
1445
+ RandomForestRegressor,
1446
+ ExtraTreesClassifier,
1447
+ ExtraTreesRegressor,
1448
+ ]
1449
+
1450
+ for Estimator in all_estimators:
1451
+ est = Estimator(min_impurity_decrease=0.1)
1452
+ est.fit(X, y)
1453
+ for tree in est.estimators_:
1454
+ # Simply check if the parameter is passed on correctly. Tree tests
1455
+ # will suffice for the actual working of this param
1456
+ assert tree.min_impurity_decrease == 0.1
1457
+
1458
+
1459
+ def test_poisson_y_positive_check():
1460
+ est = RandomForestRegressor(criterion="poisson")
1461
+ X = np.zeros((3, 3))
1462
+
1463
+ y = [-1, 1, 3]
1464
+ err_msg = (
1465
+ r"Some value\(s\) of y are negative which is "
1466
+ r"not allowed for Poisson regression."
1467
+ )
1468
+ with pytest.raises(ValueError, match=err_msg):
1469
+ est.fit(X, y)
1470
+
1471
+ y = [0, 0, 0]
1472
+ err_msg = (
1473
+ r"Sum of y is not strictly positive which "
1474
+ r"is necessary for Poisson regression."
1475
+ )
1476
+ with pytest.raises(ValueError, match=err_msg):
1477
+ est.fit(X, y)
1478
+
1479
+
1480
+ # mypy error: Variable "DEFAULT_JOBLIB_BACKEND" is not valid type
1481
+ class MyBackend(DEFAULT_JOBLIB_BACKEND): # type: ignore
1482
+ def __init__(self, *args, **kwargs):
1483
+ self.count = 0
1484
+ super().__init__(*args, **kwargs)
1485
+
1486
+ def start_call(self):
1487
+ self.count += 1
1488
+ return super().start_call()
1489
+
1490
+
1491
+ joblib.register_parallel_backend("testing", MyBackend)
1492
+
1493
+
1494
+ @skip_if_no_parallel
1495
+ def test_backend_respected():
1496
+ clf = RandomForestClassifier(n_estimators=10, n_jobs=2)
1497
+
1498
+ with joblib.parallel_backend("testing") as (ba, n_jobs):
1499
+ clf.fit(X, y)
1500
+
1501
+ assert ba.count > 0
1502
+
1503
+ # predict_proba requires shared memory. Ensure that's honored.
1504
+ with joblib.parallel_backend("testing") as (ba, _):
1505
+ clf.predict_proba(X)
1506
+
1507
+ assert ba.count == 0
1508
+
1509
+
1510
+ def test_forest_feature_importances_sum():
1511
+ X, y = make_classification(
1512
+ n_samples=15, n_informative=3, random_state=1, n_classes=3
1513
+ )
1514
+ clf = RandomForestClassifier(
1515
+ min_samples_leaf=5, random_state=42, n_estimators=200
1516
+ ).fit(X, y)
1517
+ assert math.isclose(1, clf.feature_importances_.sum(), abs_tol=1e-7)
1518
+
1519
+
1520
+ def test_forest_degenerate_feature_importances():
1521
+ # build a forest of single node trees. See #13636
1522
+ X = np.zeros((10, 10))
1523
+ y = np.ones((10,))
1524
+ gbr = RandomForestRegressor(n_estimators=10).fit(X, y)
1525
+ assert_array_equal(gbr.feature_importances_, np.zeros(10, dtype=np.float64))
1526
+
1527
+
1528
+ @pytest.mark.parametrize("name", FOREST_CLASSIFIERS_REGRESSORS)
1529
+ def test_max_samples_bootstrap(name):
1530
+ # Check invalid `max_samples` values
1531
+ est = FOREST_CLASSIFIERS_REGRESSORS[name](bootstrap=False, max_samples=0.5)
1532
+ err_msg = (
1533
+ r"`max_sample` cannot be set if `bootstrap=False`. "
1534
+ r"Either switch to `bootstrap=True` or set "
1535
+ r"`max_sample=None`."
1536
+ )
1537
+ with pytest.raises(ValueError, match=err_msg):
1538
+ est.fit(X, y)
1539
+
1540
+
1541
+ @pytest.mark.parametrize("name", FOREST_CLASSIFIERS_REGRESSORS)
1542
+ def test_large_max_samples_exception(name):
1543
+ # Check invalid `max_samples`
1544
+ est = FOREST_CLASSIFIERS_REGRESSORS[name](bootstrap=True, max_samples=int(1e9))
1545
+ match = "`max_samples` must be <= n_samples=6 but got value 1000000000"
1546
+ with pytest.raises(ValueError, match=match):
1547
+ est.fit(X, y)
1548
+
1549
+
1550
+ @pytest.mark.parametrize("name", FOREST_REGRESSORS)
1551
+ def test_max_samples_boundary_regressors(name):
1552
+ X_train, X_test, y_train, y_test = train_test_split(
1553
+ X_reg, y_reg, train_size=0.7, test_size=0.3, random_state=0
1554
+ )
1555
+
1556
+ ms_1_model = FOREST_REGRESSORS[name](
1557
+ bootstrap=True, max_samples=1.0, random_state=0
1558
+ )
1559
+ ms_1_predict = ms_1_model.fit(X_train, y_train).predict(X_test)
1560
+
1561
+ ms_None_model = FOREST_REGRESSORS[name](
1562
+ bootstrap=True, max_samples=None, random_state=0
1563
+ )
1564
+ ms_None_predict = ms_None_model.fit(X_train, y_train).predict(X_test)
1565
+
1566
+ ms_1_ms = mean_squared_error(ms_1_predict, y_test)
1567
+ ms_None_ms = mean_squared_error(ms_None_predict, y_test)
1568
+
1569
+ assert ms_1_ms == pytest.approx(ms_None_ms)
1570
+
1571
+
1572
+ @pytest.mark.parametrize("name", FOREST_CLASSIFIERS)
1573
+ def test_max_samples_boundary_classifiers(name):
1574
+ X_train, X_test, y_train, _ = train_test_split(
1575
+ X_large, y_large, random_state=0, stratify=y_large
1576
+ )
1577
+
1578
+ ms_1_model = FOREST_CLASSIFIERS[name](
1579
+ bootstrap=True, max_samples=1.0, random_state=0
1580
+ )
1581
+ ms_1_proba = ms_1_model.fit(X_train, y_train).predict_proba(X_test)
1582
+
1583
+ ms_None_model = FOREST_CLASSIFIERS[name](
1584
+ bootstrap=True, max_samples=None, random_state=0
1585
+ )
1586
+ ms_None_proba = ms_None_model.fit(X_train, y_train).predict_proba(X_test)
1587
+
1588
+ np.testing.assert_allclose(ms_1_proba, ms_None_proba)
1589
+
1590
+
1591
+ @pytest.mark.parametrize("csr_container", CSR_CONTAINERS)
1592
+ def test_forest_y_sparse(csr_container):
1593
+ X = [[1, 2, 3]]
1594
+ y = csr_container([[4, 5, 6]])
1595
+ est = RandomForestClassifier()
1596
+ msg = "sparse multilabel-indicator for y is not supported."
1597
+ with pytest.raises(ValueError, match=msg):
1598
+ est.fit(X, y)
1599
+
1600
+
1601
+ @pytest.mark.parametrize("ForestClass", [RandomForestClassifier, RandomForestRegressor])
1602
+ def test_little_tree_with_small_max_samples(ForestClass):
1603
+ rng = np.random.RandomState(1)
1604
+
1605
+ X = rng.randn(10000, 2)
1606
+ y = rng.randn(10000) > 0
1607
+
1608
+ # First fit with no restriction on max samples
1609
+ est1 = ForestClass(
1610
+ n_estimators=1,
1611
+ random_state=rng,
1612
+ max_samples=None,
1613
+ )
1614
+
1615
+ # Second fit with max samples restricted to just 2
1616
+ est2 = ForestClass(
1617
+ n_estimators=1,
1618
+ random_state=rng,
1619
+ max_samples=2,
1620
+ )
1621
+
1622
+ est1.fit(X, y)
1623
+ est2.fit(X, y)
1624
+
1625
+ tree1 = est1.estimators_[0].tree_
1626
+ tree2 = est2.estimators_[0].tree_
1627
+
1628
+ msg = "Tree without `max_samples` restriction should have more nodes"
1629
+ assert tree1.node_count > tree2.node_count, msg
1630
+
1631
+
1632
+ @pytest.mark.parametrize("Forest", FOREST_REGRESSORS)
1633
+ def test_mse_criterion_object_segfault_smoke_test(Forest):
1634
+ # This is a smoke test to ensure that passing a mutable criterion
1635
+ # does not cause a segfault when fitting with concurrent threads.
1636
+ # Non-regression test for:
1637
+ # https://github.com/scikit-learn/scikit-learn/issues/12623
1638
+ from sklearn.tree._criterion import MSE
1639
+
1640
+ y = y_reg.reshape(-1, 1)
1641
+ n_samples, n_outputs = y.shape
1642
+ mse_criterion = MSE(n_outputs, n_samples)
1643
+ est = FOREST_REGRESSORS[Forest](n_estimators=2, n_jobs=2, criterion=mse_criterion)
1644
+
1645
+ est.fit(X_reg, y)
1646
+
1647
+
1648
+ def test_random_trees_embedding_feature_names_out():
1649
+ """Check feature names out for Random Trees Embedding."""
1650
+ random_state = np.random.RandomState(0)
1651
+ X = np.abs(random_state.randn(100, 4))
1652
+ hasher = RandomTreesEmbedding(
1653
+ n_estimators=2, max_depth=2, sparse_output=False, random_state=0
1654
+ ).fit(X)
1655
+ names = hasher.get_feature_names_out()
1656
+ expected_names = [
1657
+ f"randomtreesembedding_{tree}_{leaf}"
1658
+ # Note: nodes with indices 0, 1 and 4 are internal split nodes and
1659
+ # therefore do not appear in the expected output feature names.
1660
+ for tree, leaf in [
1661
+ (0, 2),
1662
+ (0, 3),
1663
+ (0, 5),
1664
+ (0, 6),
1665
+ (1, 2),
1666
+ (1, 3),
1667
+ (1, 5),
1668
+ (1, 6),
1669
+ ]
1670
+ ]
1671
+ assert_array_equal(expected_names, names)
1672
+
1673
+
1674
+ @pytest.mark.parametrize("csr_container", CSR_CONTAINERS)
1675
+ def test_read_only_buffer(csr_container, monkeypatch):
1676
+ """RandomForestClassifier must work on readonly sparse data.
1677
+
1678
+ Non-regression test for: https://github.com/scikit-learn/scikit-learn/issues/25333
1679
+ """
1680
+ monkeypatch.setattr(
1681
+ sklearn.ensemble._forest,
1682
+ "Parallel",
1683
+ partial(Parallel, max_nbytes=100),
1684
+ )
1685
+ rng = np.random.RandomState(seed=0)
1686
+
1687
+ X, y = make_classification(n_samples=100, n_features=200, random_state=rng)
1688
+ X = csr_container(X, copy=True)
1689
+
1690
+ clf = RandomForestClassifier(n_jobs=2, random_state=rng)
1691
+ cross_val_score(clf, X, y, cv=2)
1692
+
1693
+
1694
+ @pytest.mark.parametrize("class_weight", ["balanced_subsample", None])
1695
+ def test_round_samples_to_one_when_samples_too_low(class_weight):
1696
+ """Check low max_samples works and is rounded to one.
1697
+
1698
+ Non-regression test for gh-24037.
1699
+ """
1700
+ X, y = datasets.load_wine(return_X_y=True)
1701
+ forest = RandomForestClassifier(
1702
+ n_estimators=10, max_samples=1e-4, class_weight=class_weight, random_state=0
1703
+ )
1704
+ forest.fit(X, y)
1705
+
1706
+
1707
+ @pytest.mark.parametrize("seed", [None, 1])
1708
+ @pytest.mark.parametrize("bootstrap", [True, False])
1709
+ @pytest.mark.parametrize("ForestClass", FOREST_CLASSIFIERS_REGRESSORS.values())
1710
+ def test_estimators_samples(ForestClass, bootstrap, seed):
1711
+ """Estimators_samples_ property should be consistent.
1712
+
1713
+ Tests consistency across fits and whether or not the seed for the random generator
1714
+ is set.
1715
+ """
1716
+ X, y = make_hastie_10_2(n_samples=200, random_state=1)
1717
+
1718
+ if bootstrap:
1719
+ max_samples = 0.5
1720
+ else:
1721
+ max_samples = None
1722
+ est = ForestClass(
1723
+ n_estimators=10,
1724
+ max_samples=max_samples,
1725
+ max_features=0.5,
1726
+ random_state=seed,
1727
+ bootstrap=bootstrap,
1728
+ )
1729
+ est.fit(X, y)
1730
+
1731
+ estimators_samples = est.estimators_samples_.copy()
1732
+
1733
+ # Test repeated calls result in same set of indices
1734
+ assert_array_equal(estimators_samples, est.estimators_samples_)
1735
+ estimators = est.estimators_
1736
+
1737
+ assert isinstance(estimators_samples, list)
1738
+ assert len(estimators_samples) == len(estimators)
1739
+ assert estimators_samples[0].dtype == np.int32
1740
+
1741
+ for i in range(len(estimators)):
1742
+ if bootstrap:
1743
+ assert len(estimators_samples[i]) == len(X) // 2
1744
+
1745
+ # the bootstrap should be a resampling with replacement
1746
+ assert len(np.unique(estimators_samples[i])) < len(estimators_samples[i])
1747
+ else:
1748
+ assert len(set(estimators_samples[i])) == len(X)
1749
+
1750
+ estimator_index = 0
1751
+ estimator_samples = estimators_samples[estimator_index]
1752
+ estimator = estimators[estimator_index]
1753
+
1754
+ X_train = X[estimator_samples]
1755
+ y_train = y[estimator_samples]
1756
+
1757
+ orig_tree_values = estimator.tree_.value
1758
+ estimator = clone(estimator)
1759
+ estimator.fit(X_train, y_train)
1760
+ new_tree_values = estimator.tree_.value
1761
+ assert_allclose(orig_tree_values, new_tree_values)
1762
+
1763
+
1764
+ @pytest.mark.parametrize(
1765
+ "make_data, Forest",
1766
+ [
1767
+ (datasets.make_regression, RandomForestRegressor),
1768
+ (datasets.make_classification, RandomForestClassifier),
1769
+ (datasets.make_regression, ExtraTreesRegressor),
1770
+ (datasets.make_classification, ExtraTreesClassifier),
1771
+ ],
1772
+ )
1773
+ def test_missing_values_is_resilient(make_data, Forest):
1774
+ """Check that forest can deal with missing values and has decent performance."""
1775
+
1776
+ rng = np.random.RandomState(0)
1777
+ n_samples, n_features = 1000, 10
1778
+ X, y = make_data(n_samples=n_samples, n_features=n_features, random_state=rng)
1779
+
1780
+ # Create dataset with missing values
1781
+ X_missing = X.copy()
1782
+ X_missing[rng.choice([False, True], size=X.shape, p=[0.95, 0.05])] = np.nan
1783
+ assert np.isnan(X_missing).any()
1784
+
1785
+ X_missing_train, X_missing_test, y_train, y_test = train_test_split(
1786
+ X_missing, y, random_state=0
1787
+ )
1788
+
1789
+ # Train forest with missing values
1790
+ forest_with_missing = Forest(random_state=rng, n_estimators=50)
1791
+ forest_with_missing.fit(X_missing_train, y_train)
1792
+ score_with_missing = forest_with_missing.score(X_missing_test, y_test)
1793
+
1794
+ # Train forest without missing values
1795
+ X_train, X_test, y_train, y_test = train_test_split(X, y, random_state=0)
1796
+ forest = Forest(random_state=rng, n_estimators=50)
1797
+ forest.fit(X_train, y_train)
1798
+ score_without_missing = forest.score(X_test, y_test)
1799
+
1800
+ # Score is still 80 percent of the forest's score that had no missing values
1801
+ assert score_with_missing >= 0.80 * score_without_missing
1802
+
1803
+
1804
+ @pytest.mark.parametrize(
1805
+ "Forest",
1806
+ [
1807
+ RandomForestClassifier,
1808
+ RandomForestRegressor,
1809
+ ExtraTreesRegressor,
1810
+ ExtraTreesClassifier,
1811
+ ],
1812
+ )
1813
+ def test_missing_value_is_predictive(Forest):
1814
+ """Check that the forest learns when missing values are only present for
1815
+ a predictive feature."""
1816
+ rng = np.random.RandomState(0)
1817
+ n_samples = 300
1818
+ expected_score = 0.75
1819
+
1820
+ X_non_predictive = rng.standard_normal(size=(n_samples, 10))
1821
+ y = rng.randint(0, high=2, size=n_samples)
1822
+
1823
+ # Create a predictive feature using `y` and with some noise
1824
+ X_random_mask = rng.choice([False, True], size=n_samples, p=[0.95, 0.05])
1825
+ y_mask = y.astype(bool)
1826
+ y_mask[X_random_mask] = ~y_mask[X_random_mask]
1827
+
1828
+ predictive_feature = rng.standard_normal(size=n_samples)
1829
+ predictive_feature[y_mask] = np.nan
1830
+ assert np.isnan(predictive_feature).any()
1831
+
1832
+ X_predictive = X_non_predictive.copy()
1833
+ X_predictive[:, 5] = predictive_feature
1834
+
1835
+ (
1836
+ X_predictive_train,
1837
+ X_predictive_test,
1838
+ X_non_predictive_train,
1839
+ X_non_predictive_test,
1840
+ y_train,
1841
+ y_test,
1842
+ ) = train_test_split(X_predictive, X_non_predictive, y, random_state=0)
1843
+ forest_predictive = Forest(random_state=0).fit(X_predictive_train, y_train)
1844
+ forest_non_predictive = Forest(random_state=0).fit(X_non_predictive_train, y_train)
1845
+
1846
+ predictive_test_score = forest_predictive.score(X_predictive_test, y_test)
1847
+
1848
+ assert predictive_test_score >= expected_score
1849
+ assert predictive_test_score >= forest_non_predictive.score(
1850
+ X_non_predictive_test, y_test
1851
+ )
1852
+
1853
+
1854
+ @pytest.mark.parametrize("Forest", FOREST_REGRESSORS.values())
1855
+ def test_non_supported_criterion_raises_error_with_missing_values(Forest):
1856
+ """Raise error for unsupported criterion when there are missing values."""
1857
+ X = np.array([[0, 1, 2], [np.nan, 0, 2.0]])
1858
+ y = [0.5, 1.0]
1859
+
1860
+ forest = Forest(criterion="absolute_error")
1861
+
1862
+ msg = ".*does not accept missing values"
1863
+ with pytest.raises(ValueError, match=msg):
1864
+ forest.fit(X, y)
openflamingo/lib/python3.10/site-packages/sklearn/ensemble/tests/test_gradient_boosting.py ADDED
@@ -0,0 +1,1711 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ """
2
+ Testing for the gradient boosting module (sklearn.ensemble.gradient_boosting).
3
+ """
4
+
5
+ import re
6
+ import warnings
7
+
8
+ import numpy as np
9
+ import pytest
10
+ from numpy.testing import assert_allclose
11
+
12
+ from sklearn import datasets
13
+ from sklearn.base import clone
14
+ from sklearn.datasets import make_classification, make_regression
15
+ from sklearn.dummy import DummyClassifier, DummyRegressor
16
+ from sklearn.ensemble import GradientBoostingClassifier, GradientBoostingRegressor
17
+ from sklearn.ensemble._gb import _safe_divide
18
+ from sklearn.ensemble._gradient_boosting import predict_stages
19
+ from sklearn.exceptions import DataConversionWarning, NotFittedError
20
+ from sklearn.linear_model import LinearRegression
21
+ from sklearn.metrics import mean_squared_error
22
+ from sklearn.model_selection import train_test_split
23
+ from sklearn.pipeline import make_pipeline
24
+ from sklearn.preprocessing import scale
25
+ from sklearn.svm import NuSVR
26
+ from sklearn.utils import check_random_state
27
+ from sklearn.utils._mocking import NoSampleWeightWrapper
28
+ from sklearn.utils._param_validation import InvalidParameterError
29
+ from sklearn.utils._testing import (
30
+ assert_array_almost_equal,
31
+ assert_array_equal,
32
+ skip_if_32bit,
33
+ )
34
+ from sklearn.utils.fixes import COO_CONTAINERS, CSC_CONTAINERS, CSR_CONTAINERS
35
+
36
+ GRADIENT_BOOSTING_ESTIMATORS = [GradientBoostingClassifier, GradientBoostingRegressor]
37
+
38
+ # toy sample
39
+ X = [[-2, -1], [-1, -1], [-1, -2], [1, 1], [1, 2], [2, 1]]
40
+ y = [-1, -1, -1, 1, 1, 1]
41
+ T = [[-1, -1], [2, 2], [3, 2]]
42
+ true_result = [-1, 1, 1]
43
+
44
+ # also make regression dataset
45
+ X_reg, y_reg = make_regression(
46
+ n_samples=100, n_features=4, n_informative=8, noise=10, random_state=7
47
+ )
48
+ y_reg = scale(y_reg)
49
+
50
+ rng = np.random.RandomState(0)
51
+ # also load the iris dataset
52
+ # and randomly permute it
53
+ iris = datasets.load_iris()
54
+ perm = rng.permutation(iris.target.size)
55
+ iris.data = iris.data[perm]
56
+ iris.target = iris.target[perm]
57
+
58
+
59
+ def test_exponential_n_classes_gt_2():
60
+ """Test exponential loss raises for n_classes > 2."""
61
+ clf = GradientBoostingClassifier(loss="exponential")
62
+ msg = "loss='exponential' is only suitable for a binary classification"
63
+ with pytest.raises(ValueError, match=msg):
64
+ clf.fit(iris.data, iris.target)
65
+
66
+
67
+ def test_raise_if_init_has_no_predict_proba():
68
+ """Test raise if init_ has no predict_proba method."""
69
+ clf = GradientBoostingClassifier(init=GradientBoostingRegressor)
70
+ msg = (
71
+ "The 'init' parameter of GradientBoostingClassifier must be a str among "
72
+ "{'zero'}, None or an object implementing 'fit' and 'predict_proba'."
73
+ )
74
+ with pytest.raises(ValueError, match=msg):
75
+ clf.fit(X, y)
76
+
77
+
78
+ @pytest.mark.parametrize("loss", ("log_loss", "exponential"))
79
+ def test_classification_toy(loss, global_random_seed):
80
+ # Check classification on a toy dataset.
81
+ clf = GradientBoostingClassifier(
82
+ loss=loss, n_estimators=10, random_state=global_random_seed
83
+ )
84
+
85
+ with pytest.raises(ValueError):
86
+ clf.predict(T)
87
+
88
+ clf.fit(X, y)
89
+ assert_array_equal(clf.predict(T), true_result)
90
+ assert 10 == len(clf.estimators_)
91
+
92
+ log_loss_decrease = clf.train_score_[:-1] - clf.train_score_[1:]
93
+ assert np.any(log_loss_decrease >= 0.0)
94
+
95
+ leaves = clf.apply(X)
96
+ assert leaves.shape == (6, 10, 1)
97
+
98
+
99
+ @pytest.mark.parametrize("loss", ("log_loss", "exponential"))
100
+ def test_classification_synthetic(loss, global_random_seed):
101
+ # Test GradientBoostingClassifier on synthetic dataset used by
102
+ # Hastie et al. in ESLII - Figure 10.9
103
+ # Note that Figure 10.9 reuses the dataset generated for figure 10.2
104
+ # and should have 2_000 train data points and 10_000 test data points.
105
+ # Here we intentionally use a smaller variant to make the test run faster,
106
+ # but the conclusions are still the same, despite the smaller datasets.
107
+ X, y = datasets.make_hastie_10_2(n_samples=2000, random_state=global_random_seed)
108
+
109
+ split_idx = 500
110
+ X_train, X_test = X[:split_idx], X[split_idx:]
111
+ y_train, y_test = y[:split_idx], y[split_idx:]
112
+
113
+ # Increasing the number of trees should decrease the test error
114
+ common_params = {
115
+ "max_depth": 1,
116
+ "learning_rate": 1.0,
117
+ "loss": loss,
118
+ "random_state": global_random_seed,
119
+ }
120
+ gbrt_10_stumps = GradientBoostingClassifier(n_estimators=10, **common_params)
121
+ gbrt_10_stumps.fit(X_train, y_train)
122
+
123
+ gbrt_50_stumps = GradientBoostingClassifier(n_estimators=50, **common_params)
124
+ gbrt_50_stumps.fit(X_train, y_train)
125
+
126
+ assert gbrt_10_stumps.score(X_test, y_test) < gbrt_50_stumps.score(X_test, y_test)
127
+
128
+ # Decision stumps are better suited for this dataset with a large number of
129
+ # estimators.
130
+ common_params = {
131
+ "n_estimators": 200,
132
+ "learning_rate": 1.0,
133
+ "loss": loss,
134
+ "random_state": global_random_seed,
135
+ }
136
+ gbrt_stumps = GradientBoostingClassifier(max_depth=1, **common_params)
137
+ gbrt_stumps.fit(X_train, y_train)
138
+
139
+ gbrt_10_nodes = GradientBoostingClassifier(max_leaf_nodes=10, **common_params)
140
+ gbrt_10_nodes.fit(X_train, y_train)
141
+
142
+ assert gbrt_stumps.score(X_test, y_test) > gbrt_10_nodes.score(X_test, y_test)
143
+
144
+
145
+ @pytest.mark.parametrize("loss", ("squared_error", "absolute_error", "huber"))
146
+ @pytest.mark.parametrize("subsample", (1.0, 0.5))
147
+ def test_regression_dataset(loss, subsample, global_random_seed):
148
+ # Check consistency on regression dataset with least squares
149
+ # and least absolute deviation.
150
+ ones = np.ones(len(y_reg))
151
+ last_y_pred = None
152
+ for sample_weight in [None, ones, 2 * ones]:
153
+ # learning_rate, max_depth and n_estimators were adjusted to get a mode
154
+ # that is accurate enough to reach a low MSE on the training set while
155
+ # keeping the resource used to execute this test low enough.
156
+ reg = GradientBoostingRegressor(
157
+ n_estimators=30,
158
+ loss=loss,
159
+ max_depth=4,
160
+ subsample=subsample,
161
+ min_samples_split=2,
162
+ random_state=global_random_seed,
163
+ learning_rate=0.5,
164
+ )
165
+
166
+ reg.fit(X_reg, y_reg, sample_weight=sample_weight)
167
+ leaves = reg.apply(X_reg)
168
+ assert leaves.shape == (100, 30)
169
+
170
+ y_pred = reg.predict(X_reg)
171
+ mse = mean_squared_error(y_reg, y_pred)
172
+ assert mse < 0.05
173
+
174
+ if last_y_pred is not None:
175
+ # FIXME: We temporarily bypass this test. This is due to the fact
176
+ # that GBRT with and without `sample_weight` do not use the same
177
+ # implementation of the median during the initialization with the
178
+ # `DummyRegressor`. In the future, we should make sure that both
179
+ # implementations should be the same. See PR #17377 for more.
180
+ # assert_allclose(last_y_pred, y_pred)
181
+ pass
182
+
183
+ last_y_pred = y_pred
184
+
185
+
186
+ @pytest.mark.parametrize("subsample", (1.0, 0.5))
187
+ @pytest.mark.parametrize("sample_weight", (None, 1))
188
+ def test_iris(subsample, sample_weight, global_random_seed):
189
+ if sample_weight == 1:
190
+ sample_weight = np.ones(len(iris.target))
191
+ # Check consistency on dataset iris.
192
+ clf = GradientBoostingClassifier(
193
+ n_estimators=100,
194
+ loss="log_loss",
195
+ random_state=global_random_seed,
196
+ subsample=subsample,
197
+ )
198
+ clf.fit(iris.data, iris.target, sample_weight=sample_weight)
199
+ score = clf.score(iris.data, iris.target)
200
+ assert score > 0.9
201
+
202
+ leaves = clf.apply(iris.data)
203
+ assert leaves.shape == (150, 100, 3)
204
+
205
+
206
+ def test_regression_synthetic(global_random_seed):
207
+ # Test on synthetic regression datasets used in Leo Breiman,
208
+ # `Bagging Predictors?. Machine Learning 24(2): 123-140 (1996).
209
+ random_state = check_random_state(global_random_seed)
210
+ regression_params = {
211
+ "n_estimators": 100,
212
+ "max_depth": 4,
213
+ "min_samples_split": 2,
214
+ "learning_rate": 0.1,
215
+ "loss": "squared_error",
216
+ "random_state": global_random_seed,
217
+ }
218
+
219
+ # Friedman1
220
+ X, y = datasets.make_friedman1(n_samples=1200, random_state=random_state, noise=1.0)
221
+ X_train, y_train = X[:200], y[:200]
222
+ X_test, y_test = X[200:], y[200:]
223
+
224
+ clf = GradientBoostingRegressor(**regression_params)
225
+ clf.fit(X_train, y_train)
226
+ mse = mean_squared_error(y_test, clf.predict(X_test))
227
+ assert mse < 6.5
228
+
229
+ # Friedman2
230
+ X, y = datasets.make_friedman2(n_samples=1200, random_state=random_state)
231
+ X_train, y_train = X[:200], y[:200]
232
+ X_test, y_test = X[200:], y[200:]
233
+
234
+ clf = GradientBoostingRegressor(**regression_params)
235
+ clf.fit(X_train, y_train)
236
+ mse = mean_squared_error(y_test, clf.predict(X_test))
237
+ assert mse < 2500.0
238
+
239
+ # Friedman3
240
+ X, y = datasets.make_friedman3(n_samples=1200, random_state=random_state)
241
+ X_train, y_train = X[:200], y[:200]
242
+ X_test, y_test = X[200:], y[200:]
243
+
244
+ clf = GradientBoostingRegressor(**regression_params)
245
+ clf.fit(X_train, y_train)
246
+ mse = mean_squared_error(y_test, clf.predict(X_test))
247
+ assert mse < 0.025
248
+
249
+
250
+ @pytest.mark.parametrize(
251
+ "GradientBoosting, X, y",
252
+ [
253
+ (GradientBoostingRegressor, X_reg, y_reg),
254
+ (GradientBoostingClassifier, iris.data, iris.target),
255
+ ],
256
+ )
257
+ def test_feature_importances(GradientBoosting, X, y):
258
+ # smoke test to check that the gradient boosting expose an attribute
259
+ # feature_importances_
260
+ gbdt = GradientBoosting()
261
+ assert not hasattr(gbdt, "feature_importances_")
262
+ gbdt.fit(X, y)
263
+ assert hasattr(gbdt, "feature_importances_")
264
+
265
+
266
+ def test_probability_log(global_random_seed):
267
+ # Predict probabilities.
268
+ clf = GradientBoostingClassifier(n_estimators=100, random_state=global_random_seed)
269
+
270
+ with pytest.raises(ValueError):
271
+ clf.predict_proba(T)
272
+
273
+ clf.fit(X, y)
274
+ assert_array_equal(clf.predict(T), true_result)
275
+
276
+ # check if probabilities are in [0, 1].
277
+ y_proba = clf.predict_proba(T)
278
+ assert np.all(y_proba >= 0.0)
279
+ assert np.all(y_proba <= 1.0)
280
+
281
+ # derive predictions from probabilities
282
+ y_pred = clf.classes_.take(y_proba.argmax(axis=1), axis=0)
283
+ assert_array_equal(y_pred, true_result)
284
+
285
+
286
+ def test_single_class_with_sample_weight():
287
+ sample_weight = [0, 0, 0, 1, 1, 1]
288
+ clf = GradientBoostingClassifier(n_estimators=100, random_state=1)
289
+ msg = (
290
+ "y contains 1 class after sample_weight trimmed classes with "
291
+ "zero weights, while a minimum of 2 classes are required."
292
+ )
293
+ with pytest.raises(ValueError, match=msg):
294
+ clf.fit(X, y, sample_weight=sample_weight)
295
+
296
+
297
+ @pytest.mark.parametrize("csc_container", CSC_CONTAINERS)
298
+ def test_check_inputs_predict_stages(csc_container):
299
+ # check that predict_stages through an error if the type of X is not
300
+ # supported
301
+ x, y = datasets.make_hastie_10_2(n_samples=100, random_state=1)
302
+ x_sparse_csc = csc_container(x)
303
+ clf = GradientBoostingClassifier(n_estimators=100, random_state=1)
304
+ clf.fit(x, y)
305
+ score = np.zeros((y.shape)).reshape(-1, 1)
306
+ err_msg = "When X is a sparse matrix, a CSR format is expected"
307
+ with pytest.raises(ValueError, match=err_msg):
308
+ predict_stages(clf.estimators_, x_sparse_csc, clf.learning_rate, score)
309
+ x_fortran = np.asfortranarray(x)
310
+ with pytest.raises(ValueError, match="X should be C-ordered np.ndarray"):
311
+ predict_stages(clf.estimators_, x_fortran, clf.learning_rate, score)
312
+
313
+
314
+ def test_max_feature_regression(global_random_seed):
315
+ # Test to make sure random state is set properly.
316
+ X, y = datasets.make_hastie_10_2(n_samples=12000, random_state=global_random_seed)
317
+
318
+ X_train, X_test = X[:2000], X[2000:]
319
+ y_train, y_test = y[:2000], y[2000:]
320
+
321
+ gbrt = GradientBoostingClassifier(
322
+ n_estimators=100,
323
+ min_samples_split=5,
324
+ max_depth=2,
325
+ learning_rate=0.1,
326
+ max_features=2,
327
+ random_state=global_random_seed,
328
+ )
329
+ gbrt.fit(X_train, y_train)
330
+ log_loss = gbrt._loss(y_test, gbrt.decision_function(X_test))
331
+ assert log_loss < 0.5, "GB failed with deviance %.4f" % log_loss
332
+
333
+
334
+ def test_feature_importance_regression(
335
+ fetch_california_housing_fxt, global_random_seed
336
+ ):
337
+ """Test that Gini importance is calculated correctly.
338
+
339
+ This test follows the example from [1]_ (pg. 373).
340
+
341
+ .. [1] Friedman, J., Hastie, T., & Tibshirani, R. (2001). The elements
342
+ of statistical learning. New York: Springer series in statistics.
343
+ """
344
+ california = fetch_california_housing_fxt()
345
+ X, y = california.data, california.target
346
+ X_train, X_test, y_train, y_test = train_test_split(
347
+ X, y, random_state=global_random_seed
348
+ )
349
+
350
+ reg = GradientBoostingRegressor(
351
+ loss="huber",
352
+ learning_rate=0.1,
353
+ max_leaf_nodes=6,
354
+ n_estimators=100,
355
+ random_state=global_random_seed,
356
+ )
357
+ reg.fit(X_train, y_train)
358
+ sorted_idx = np.argsort(reg.feature_importances_)[::-1]
359
+ sorted_features = [california.feature_names[s] for s in sorted_idx]
360
+
361
+ # The most important feature is the median income by far.
362
+ assert sorted_features[0] == "MedInc"
363
+
364
+ # The three subsequent features are the following. Their relative ordering
365
+ # might change a bit depending on the randomness of the trees and the
366
+ # train / test split.
367
+ assert set(sorted_features[1:4]) == {"Longitude", "AveOccup", "Latitude"}
368
+
369
+
370
+ def test_max_features():
371
+ # Test if max features is set properly for floats and str.
372
+ X, y = datasets.make_hastie_10_2(n_samples=12000, random_state=1)
373
+ _, n_features = X.shape
374
+
375
+ X_train = X[:2000]
376
+ y_train = y[:2000]
377
+
378
+ gbrt = GradientBoostingClassifier(n_estimators=1, max_features=None)
379
+ gbrt.fit(X_train, y_train)
380
+ assert gbrt.max_features_ == n_features
381
+
382
+ gbrt = GradientBoostingRegressor(n_estimators=1, max_features=None)
383
+ gbrt.fit(X_train, y_train)
384
+ assert gbrt.max_features_ == n_features
385
+
386
+ gbrt = GradientBoostingRegressor(n_estimators=1, max_features=0.3)
387
+ gbrt.fit(X_train, y_train)
388
+ assert gbrt.max_features_ == int(n_features * 0.3)
389
+
390
+ gbrt = GradientBoostingRegressor(n_estimators=1, max_features="sqrt")
391
+ gbrt.fit(X_train, y_train)
392
+ assert gbrt.max_features_ == int(np.sqrt(n_features))
393
+
394
+ gbrt = GradientBoostingRegressor(n_estimators=1, max_features="log2")
395
+ gbrt.fit(X_train, y_train)
396
+ assert gbrt.max_features_ == int(np.log2(n_features))
397
+
398
+ gbrt = GradientBoostingRegressor(n_estimators=1, max_features=0.01 / X.shape[1])
399
+ gbrt.fit(X_train, y_train)
400
+ assert gbrt.max_features_ == 1
401
+
402
+
403
+ def test_staged_predict():
404
+ # Test whether staged decision function eventually gives
405
+ # the same prediction.
406
+ X, y = datasets.make_friedman1(n_samples=1200, random_state=1, noise=1.0)
407
+ X_train, y_train = X[:200], y[:200]
408
+ X_test = X[200:]
409
+ clf = GradientBoostingRegressor()
410
+ # test raise ValueError if not fitted
411
+ with pytest.raises(ValueError):
412
+ np.fromiter(clf.staged_predict(X_test), dtype=np.float64)
413
+
414
+ clf.fit(X_train, y_train)
415
+ y_pred = clf.predict(X_test)
416
+
417
+ # test if prediction for last stage equals ``predict``
418
+ for y in clf.staged_predict(X_test):
419
+ assert y.shape == y_pred.shape
420
+
421
+ assert_array_almost_equal(y_pred, y)
422
+
423
+
424
+ def test_staged_predict_proba():
425
+ # Test whether staged predict proba eventually gives
426
+ # the same prediction.
427
+ X, y = datasets.make_hastie_10_2(n_samples=1200, random_state=1)
428
+ X_train, y_train = X[:200], y[:200]
429
+ X_test, y_test = X[200:], y[200:]
430
+ clf = GradientBoostingClassifier(n_estimators=20)
431
+ # test raise NotFittedError if not
432
+ with pytest.raises(NotFittedError):
433
+ np.fromiter(clf.staged_predict_proba(X_test), dtype=np.float64)
434
+
435
+ clf.fit(X_train, y_train)
436
+
437
+ # test if prediction for last stage equals ``predict``
438
+ for y_pred in clf.staged_predict(X_test):
439
+ assert y_test.shape == y_pred.shape
440
+
441
+ assert_array_equal(clf.predict(X_test), y_pred)
442
+
443
+ # test if prediction for last stage equals ``predict_proba``
444
+ for staged_proba in clf.staged_predict_proba(X_test):
445
+ assert y_test.shape[0] == staged_proba.shape[0]
446
+ assert 2 == staged_proba.shape[1]
447
+
448
+ assert_array_almost_equal(clf.predict_proba(X_test), staged_proba)
449
+
450
+
451
+ @pytest.mark.parametrize("Estimator", GRADIENT_BOOSTING_ESTIMATORS)
452
+ def test_staged_functions_defensive(Estimator, global_random_seed):
453
+ # test that staged_functions make defensive copies
454
+ rng = np.random.RandomState(global_random_seed)
455
+ X = rng.uniform(size=(10, 3))
456
+ y = (4 * X[:, 0]).astype(int) + 1 # don't predict zeros
457
+ estimator = Estimator()
458
+ estimator.fit(X, y)
459
+ for func in ["predict", "decision_function", "predict_proba"]:
460
+ staged_func = getattr(estimator, "staged_" + func, None)
461
+ if staged_func is None:
462
+ # regressor has no staged_predict_proba
463
+ continue
464
+ with warnings.catch_warnings(record=True):
465
+ staged_result = list(staged_func(X))
466
+ staged_result[1][:] = 0
467
+ assert np.all(staged_result[0] != 0)
468
+
469
+
470
+ def test_serialization():
471
+ # Check model serialization.
472
+ clf = GradientBoostingClassifier(n_estimators=100, random_state=1)
473
+
474
+ clf.fit(X, y)
475
+ assert_array_equal(clf.predict(T), true_result)
476
+ assert 100 == len(clf.estimators_)
477
+
478
+ try:
479
+ import cPickle as pickle
480
+ except ImportError:
481
+ import pickle
482
+
483
+ serialized_clf = pickle.dumps(clf, protocol=pickle.HIGHEST_PROTOCOL)
484
+ clf = None
485
+ clf = pickle.loads(serialized_clf)
486
+ assert_array_equal(clf.predict(T), true_result)
487
+ assert 100 == len(clf.estimators_)
488
+
489
+
490
+ def test_degenerate_targets():
491
+ # Check if we can fit even though all targets are equal.
492
+ clf = GradientBoostingClassifier(n_estimators=100, random_state=1)
493
+
494
+ # classifier should raise exception
495
+ with pytest.raises(ValueError):
496
+ clf.fit(X, np.ones(len(X)))
497
+
498
+ clf = GradientBoostingRegressor(n_estimators=100, random_state=1)
499
+ clf.fit(X, np.ones(len(X)))
500
+ clf.predict([rng.rand(2)])
501
+ assert_array_equal(np.ones((1,), dtype=np.float64), clf.predict([rng.rand(2)]))
502
+
503
+
504
+ def test_quantile_loss(global_random_seed):
505
+ # Check if quantile loss with alpha=0.5 equals absolute_error.
506
+ clf_quantile = GradientBoostingRegressor(
507
+ n_estimators=100,
508
+ loss="quantile",
509
+ max_depth=4,
510
+ alpha=0.5,
511
+ random_state=global_random_seed,
512
+ )
513
+
514
+ clf_quantile.fit(X_reg, y_reg)
515
+ y_quantile = clf_quantile.predict(X_reg)
516
+
517
+ clf_ae = GradientBoostingRegressor(
518
+ n_estimators=100,
519
+ loss="absolute_error",
520
+ max_depth=4,
521
+ random_state=global_random_seed,
522
+ )
523
+
524
+ clf_ae.fit(X_reg, y_reg)
525
+ y_ae = clf_ae.predict(X_reg)
526
+ assert_allclose(y_quantile, y_ae)
527
+
528
+
529
+ def test_symbol_labels():
530
+ # Test with non-integer class labels.
531
+ clf = GradientBoostingClassifier(n_estimators=100, random_state=1)
532
+
533
+ symbol_y = list(map(str, y))
534
+
535
+ clf.fit(X, symbol_y)
536
+ assert_array_equal(clf.predict(T), list(map(str, true_result)))
537
+ assert 100 == len(clf.estimators_)
538
+
539
+
540
+ def test_float_class_labels():
541
+ # Test with float class labels.
542
+ clf = GradientBoostingClassifier(n_estimators=100, random_state=1)
543
+
544
+ float_y = np.asarray(y, dtype=np.float32)
545
+
546
+ clf.fit(X, float_y)
547
+ assert_array_equal(clf.predict(T), np.asarray(true_result, dtype=np.float32))
548
+ assert 100 == len(clf.estimators_)
549
+
550
+
551
+ def test_shape_y():
552
+ # Test with float class labels.
553
+ clf = GradientBoostingClassifier(n_estimators=100, random_state=1)
554
+
555
+ y_ = np.asarray(y, dtype=np.int32)
556
+ y_ = y_[:, np.newaxis]
557
+
558
+ # This will raise a DataConversionWarning that we want to
559
+ # "always" raise, elsewhere the warnings gets ignored in the
560
+ # later tests, and the tests that check for this warning fail
561
+ warn_msg = (
562
+ "A column-vector y was passed when a 1d array was expected. "
563
+ "Please change the shape of y to \\(n_samples, \\), for "
564
+ "example using ravel()."
565
+ )
566
+ with pytest.warns(DataConversionWarning, match=warn_msg):
567
+ clf.fit(X, y_)
568
+ assert_array_equal(clf.predict(T), true_result)
569
+ assert 100 == len(clf.estimators_)
570
+
571
+
572
+ def test_mem_layout():
573
+ # Test with different memory layouts of X and y
574
+ X_ = np.asfortranarray(X)
575
+ clf = GradientBoostingClassifier(n_estimators=100, random_state=1)
576
+ clf.fit(X_, y)
577
+ assert_array_equal(clf.predict(T), true_result)
578
+ assert 100 == len(clf.estimators_)
579
+
580
+ X_ = np.ascontiguousarray(X)
581
+ clf = GradientBoostingClassifier(n_estimators=100, random_state=1)
582
+ clf.fit(X_, y)
583
+ assert_array_equal(clf.predict(T), true_result)
584
+ assert 100 == len(clf.estimators_)
585
+
586
+ y_ = np.asarray(y, dtype=np.int32)
587
+ y_ = np.ascontiguousarray(y_)
588
+ clf = GradientBoostingClassifier(n_estimators=100, random_state=1)
589
+ clf.fit(X, y_)
590
+ assert_array_equal(clf.predict(T), true_result)
591
+ assert 100 == len(clf.estimators_)
592
+
593
+ y_ = np.asarray(y, dtype=np.int32)
594
+ y_ = np.asfortranarray(y_)
595
+ clf = GradientBoostingClassifier(n_estimators=100, random_state=1)
596
+ clf.fit(X, y_)
597
+ assert_array_equal(clf.predict(T), true_result)
598
+ assert 100 == len(clf.estimators_)
599
+
600
+
601
+ @pytest.mark.parametrize("GradientBoostingEstimator", GRADIENT_BOOSTING_ESTIMATORS)
602
+ def test_oob_improvement(GradientBoostingEstimator):
603
+ # Test if oob improvement has correct shape and regression test.
604
+ estimator = GradientBoostingEstimator(
605
+ n_estimators=100, random_state=1, subsample=0.5
606
+ )
607
+ estimator.fit(X, y)
608
+ assert estimator.oob_improvement_.shape[0] == 100
609
+ # hard-coded regression test - change if modification in OOB computation
610
+ assert_array_almost_equal(
611
+ estimator.oob_improvement_[:5],
612
+ np.array([0.19, 0.15, 0.12, -0.11, 0.11]),
613
+ decimal=2,
614
+ )
615
+
616
+
617
+ @pytest.mark.parametrize("GradientBoostingEstimator", GRADIENT_BOOSTING_ESTIMATORS)
618
+ def test_oob_scores(GradientBoostingEstimator):
619
+ # Test if oob scores has correct shape and regression test.
620
+ X, y = datasets.make_hastie_10_2(n_samples=100, random_state=1)
621
+ estimator = GradientBoostingEstimator(
622
+ n_estimators=100, random_state=1, subsample=0.5
623
+ )
624
+ estimator.fit(X, y)
625
+ assert estimator.oob_scores_.shape[0] == 100
626
+ assert estimator.oob_scores_[-1] == pytest.approx(estimator.oob_score_)
627
+
628
+ estimator = GradientBoostingEstimator(
629
+ n_estimators=100,
630
+ random_state=1,
631
+ subsample=0.5,
632
+ n_iter_no_change=5,
633
+ )
634
+ estimator.fit(X, y)
635
+ assert estimator.oob_scores_.shape[0] < 100
636
+ assert estimator.oob_scores_[-1] == pytest.approx(estimator.oob_score_)
637
+
638
+
639
+ @pytest.mark.parametrize(
640
+ "GradientBoostingEstimator, oob_attribute",
641
+ [
642
+ (GradientBoostingClassifier, "oob_improvement_"),
643
+ (GradientBoostingClassifier, "oob_scores_"),
644
+ (GradientBoostingClassifier, "oob_score_"),
645
+ (GradientBoostingRegressor, "oob_improvement_"),
646
+ (GradientBoostingRegressor, "oob_scores_"),
647
+ (GradientBoostingRegressor, "oob_score_"),
648
+ ],
649
+ )
650
+ def test_oob_attributes_error(GradientBoostingEstimator, oob_attribute):
651
+ """
652
+ Check that we raise an AttributeError when the OOB statistics were not computed.
653
+ """
654
+ X, y = datasets.make_hastie_10_2(n_samples=100, random_state=1)
655
+ estimator = GradientBoostingEstimator(
656
+ n_estimators=100,
657
+ random_state=1,
658
+ subsample=1.0,
659
+ )
660
+ estimator.fit(X, y)
661
+ with pytest.raises(AttributeError):
662
+ estimator.oob_attribute
663
+
664
+
665
+ def test_oob_multilcass_iris():
666
+ # Check OOB improvement on multi-class dataset.
667
+ estimator = GradientBoostingClassifier(
668
+ n_estimators=100, loss="log_loss", random_state=1, subsample=0.5
669
+ )
670
+ estimator.fit(iris.data, iris.target)
671
+ score = estimator.score(iris.data, iris.target)
672
+ assert score > 0.9
673
+ assert estimator.oob_improvement_.shape[0] == estimator.n_estimators
674
+ assert estimator.oob_scores_.shape[0] == estimator.n_estimators
675
+ assert estimator.oob_scores_[-1] == pytest.approx(estimator.oob_score_)
676
+
677
+ estimator = GradientBoostingClassifier(
678
+ n_estimators=100,
679
+ loss="log_loss",
680
+ random_state=1,
681
+ subsample=0.5,
682
+ n_iter_no_change=5,
683
+ )
684
+ estimator.fit(iris.data, iris.target)
685
+ score = estimator.score(iris.data, iris.target)
686
+ assert estimator.oob_improvement_.shape[0] < estimator.n_estimators
687
+ assert estimator.oob_scores_.shape[0] < estimator.n_estimators
688
+ assert estimator.oob_scores_[-1] == pytest.approx(estimator.oob_score_)
689
+
690
+ # hard-coded regression test - change if modification in OOB computation
691
+ # FIXME: the following snippet does not yield the same results on 32 bits
692
+ # assert_array_almost_equal(estimator.oob_improvement_[:5],
693
+ # np.array([12.68, 10.45, 8.18, 6.43, 5.13]),
694
+ # decimal=2)
695
+
696
+
697
+ def test_verbose_output():
698
+ # Check verbose=1 does not cause error.
699
+ import sys
700
+ from io import StringIO
701
+
702
+ old_stdout = sys.stdout
703
+ sys.stdout = StringIO()
704
+ clf = GradientBoostingClassifier(
705
+ n_estimators=100, random_state=1, verbose=1, subsample=0.8
706
+ )
707
+ clf.fit(X, y)
708
+ verbose_output = sys.stdout
709
+ sys.stdout = old_stdout
710
+
711
+ # check output
712
+ verbose_output.seek(0)
713
+ header = verbose_output.readline().rstrip()
714
+ # with OOB
715
+ true_header = " ".join(["%10s"] + ["%16s"] * 3) % (
716
+ "Iter",
717
+ "Train Loss",
718
+ "OOB Improve",
719
+ "Remaining Time",
720
+ )
721
+ assert true_header == header
722
+
723
+ n_lines = sum(1 for l in verbose_output.readlines())
724
+ # one for 1-10 and then 9 for 20-100
725
+ assert 10 + 9 == n_lines
726
+
727
+
728
+ def test_more_verbose_output():
729
+ # Check verbose=2 does not cause error.
730
+ import sys
731
+ from io import StringIO
732
+
733
+ old_stdout = sys.stdout
734
+ sys.stdout = StringIO()
735
+ clf = GradientBoostingClassifier(n_estimators=100, random_state=1, verbose=2)
736
+ clf.fit(X, y)
737
+ verbose_output = sys.stdout
738
+ sys.stdout = old_stdout
739
+
740
+ # check output
741
+ verbose_output.seek(0)
742
+ header = verbose_output.readline().rstrip()
743
+ # no OOB
744
+ true_header = " ".join(["%10s"] + ["%16s"] * 2) % (
745
+ "Iter",
746
+ "Train Loss",
747
+ "Remaining Time",
748
+ )
749
+ assert true_header == header
750
+
751
+ n_lines = sum(1 for l in verbose_output.readlines())
752
+ # 100 lines for n_estimators==100
753
+ assert 100 == n_lines
754
+
755
+
756
+ @pytest.mark.parametrize("Cls", GRADIENT_BOOSTING_ESTIMATORS)
757
+ def test_warm_start(Cls, global_random_seed):
758
+ # Test if warm start equals fit.
759
+ X, y = datasets.make_hastie_10_2(n_samples=100, random_state=global_random_seed)
760
+ est = Cls(n_estimators=200, max_depth=1, random_state=global_random_seed)
761
+ est.fit(X, y)
762
+
763
+ est_ws = Cls(
764
+ n_estimators=100, max_depth=1, warm_start=True, random_state=global_random_seed
765
+ )
766
+ est_ws.fit(X, y)
767
+ est_ws.set_params(n_estimators=200)
768
+ est_ws.fit(X, y)
769
+
770
+ if Cls is GradientBoostingRegressor:
771
+ assert_allclose(est_ws.predict(X), est.predict(X))
772
+ else:
773
+ # Random state is preserved and hence predict_proba must also be
774
+ # same
775
+ assert_array_equal(est_ws.predict(X), est.predict(X))
776
+ assert_allclose(est_ws.predict_proba(X), est.predict_proba(X))
777
+
778
+
779
+ @pytest.mark.parametrize("Cls", GRADIENT_BOOSTING_ESTIMATORS)
780
+ def test_warm_start_n_estimators(Cls, global_random_seed):
781
+ # Test if warm start equals fit - set n_estimators.
782
+ X, y = datasets.make_hastie_10_2(n_samples=100, random_state=global_random_seed)
783
+ est = Cls(n_estimators=300, max_depth=1, random_state=global_random_seed)
784
+ est.fit(X, y)
785
+
786
+ est_ws = Cls(
787
+ n_estimators=100, max_depth=1, warm_start=True, random_state=global_random_seed
788
+ )
789
+ est_ws.fit(X, y)
790
+ est_ws.set_params(n_estimators=300)
791
+ est_ws.fit(X, y)
792
+
793
+ assert_allclose(est_ws.predict(X), est.predict(X))
794
+
795
+
796
+ @pytest.mark.parametrize("Cls", GRADIENT_BOOSTING_ESTIMATORS)
797
+ def test_warm_start_max_depth(Cls):
798
+ # Test if possible to fit trees of different depth in ensemble.
799
+ X, y = datasets.make_hastie_10_2(n_samples=100, random_state=1)
800
+ est = Cls(n_estimators=100, max_depth=1, warm_start=True)
801
+ est.fit(X, y)
802
+ est.set_params(n_estimators=110, max_depth=2)
803
+ est.fit(X, y)
804
+
805
+ # last 10 trees have different depth
806
+ assert est.estimators_[0, 0].max_depth == 1
807
+ for i in range(1, 11):
808
+ assert est.estimators_[-i, 0].max_depth == 2
809
+
810
+
811
+ @pytest.mark.parametrize("Cls", GRADIENT_BOOSTING_ESTIMATORS)
812
+ def test_warm_start_clear(Cls):
813
+ # Test if fit clears state.
814
+ X, y = datasets.make_hastie_10_2(n_samples=100, random_state=1)
815
+ est = Cls(n_estimators=100, max_depth=1)
816
+ est.fit(X, y)
817
+
818
+ est_2 = Cls(n_estimators=100, max_depth=1, warm_start=True)
819
+ est_2.fit(X, y) # inits state
820
+ est_2.set_params(warm_start=False)
821
+ est_2.fit(X, y) # clears old state and equals est
822
+
823
+ assert_array_almost_equal(est_2.predict(X), est.predict(X))
824
+
825
+
826
+ @pytest.mark.parametrize("GradientBoosting", GRADIENT_BOOSTING_ESTIMATORS)
827
+ def test_warm_start_state_oob_scores(GradientBoosting):
828
+ """
829
+ Check that the states of the OOB scores are cleared when used with `warm_start`.
830
+ """
831
+ X, y = datasets.make_hastie_10_2(n_samples=100, random_state=1)
832
+ n_estimators = 100
833
+ estimator = GradientBoosting(
834
+ n_estimators=n_estimators,
835
+ max_depth=1,
836
+ subsample=0.5,
837
+ warm_start=True,
838
+ random_state=1,
839
+ )
840
+ estimator.fit(X, y)
841
+ oob_scores, oob_score = estimator.oob_scores_, estimator.oob_score_
842
+ assert len(oob_scores) == n_estimators
843
+ assert oob_scores[-1] == pytest.approx(oob_score)
844
+
845
+ n_more_estimators = 200
846
+ estimator.set_params(n_estimators=n_more_estimators).fit(X, y)
847
+ assert len(estimator.oob_scores_) == n_more_estimators
848
+ assert_allclose(estimator.oob_scores_[:n_estimators], oob_scores)
849
+
850
+ estimator.set_params(n_estimators=n_estimators, warm_start=False).fit(X, y)
851
+ assert estimator.oob_scores_ is not oob_scores
852
+ assert estimator.oob_score_ is not oob_score
853
+ assert_allclose(estimator.oob_scores_, oob_scores)
854
+ assert estimator.oob_score_ == pytest.approx(oob_score)
855
+ assert oob_scores[-1] == pytest.approx(oob_score)
856
+
857
+
858
+ @pytest.mark.parametrize("Cls", GRADIENT_BOOSTING_ESTIMATORS)
859
+ def test_warm_start_smaller_n_estimators(Cls):
860
+ # Test if warm start with smaller n_estimators raises error
861
+ X, y = datasets.make_hastie_10_2(n_samples=100, random_state=1)
862
+ est = Cls(n_estimators=100, max_depth=1, warm_start=True)
863
+ est.fit(X, y)
864
+ est.set_params(n_estimators=99)
865
+ with pytest.raises(ValueError):
866
+ est.fit(X, y)
867
+
868
+
869
+ @pytest.mark.parametrize("Cls", GRADIENT_BOOSTING_ESTIMATORS)
870
+ def test_warm_start_equal_n_estimators(Cls):
871
+ # Test if warm start with equal n_estimators does nothing
872
+ X, y = datasets.make_hastie_10_2(n_samples=100, random_state=1)
873
+ est = Cls(n_estimators=100, max_depth=1)
874
+ est.fit(X, y)
875
+
876
+ est2 = clone(est)
877
+ est2.set_params(n_estimators=est.n_estimators, warm_start=True)
878
+ est2.fit(X, y)
879
+
880
+ assert_array_almost_equal(est2.predict(X), est.predict(X))
881
+
882
+
883
+ @pytest.mark.parametrize("Cls", GRADIENT_BOOSTING_ESTIMATORS)
884
+ def test_warm_start_oob_switch(Cls):
885
+ # Test if oob can be turned on during warm start.
886
+ X, y = datasets.make_hastie_10_2(n_samples=100, random_state=1)
887
+ est = Cls(n_estimators=100, max_depth=1, warm_start=True)
888
+ est.fit(X, y)
889
+ est.set_params(n_estimators=110, subsample=0.5)
890
+ est.fit(X, y)
891
+
892
+ assert_array_equal(est.oob_improvement_[:100], np.zeros(100))
893
+ assert_array_equal(est.oob_scores_[:100], np.zeros(100))
894
+
895
+ # the last 10 are not zeros
896
+ assert (est.oob_improvement_[-10:] != 0.0).all()
897
+ assert (est.oob_scores_[-10:] != 0.0).all()
898
+
899
+ assert est.oob_scores_[-1] == pytest.approx(est.oob_score_)
900
+
901
+
902
+ @pytest.mark.parametrize("Cls", GRADIENT_BOOSTING_ESTIMATORS)
903
+ def test_warm_start_oob(Cls):
904
+ # Test if warm start OOB equals fit.
905
+ X, y = datasets.make_hastie_10_2(n_samples=100, random_state=1)
906
+ est = Cls(n_estimators=200, max_depth=1, subsample=0.5, random_state=1)
907
+ est.fit(X, y)
908
+
909
+ est_ws = Cls(
910
+ n_estimators=100, max_depth=1, subsample=0.5, random_state=1, warm_start=True
911
+ )
912
+ est_ws.fit(X, y)
913
+ est_ws.set_params(n_estimators=200)
914
+ est_ws.fit(X, y)
915
+
916
+ assert_array_almost_equal(est_ws.oob_improvement_[:100], est.oob_improvement_[:100])
917
+ assert_array_almost_equal(est_ws.oob_scores_[:100], est.oob_scores_[:100])
918
+ assert est.oob_scores_[-1] == pytest.approx(est.oob_score_)
919
+ assert est_ws.oob_scores_[-1] == pytest.approx(est_ws.oob_score_)
920
+
921
+
922
+ @pytest.mark.parametrize("Cls", GRADIENT_BOOSTING_ESTIMATORS)
923
+ @pytest.mark.parametrize(
924
+ "sparse_container", COO_CONTAINERS + CSC_CONTAINERS + CSR_CONTAINERS
925
+ )
926
+ def test_warm_start_sparse(Cls, sparse_container):
927
+ # Test that all sparse matrix types are supported
928
+ X, y = datasets.make_hastie_10_2(n_samples=100, random_state=1)
929
+ est_dense = Cls(
930
+ n_estimators=100, max_depth=1, subsample=0.5, random_state=1, warm_start=True
931
+ )
932
+ est_dense.fit(X, y)
933
+ est_dense.predict(X)
934
+ est_dense.set_params(n_estimators=200)
935
+ est_dense.fit(X, y)
936
+ y_pred_dense = est_dense.predict(X)
937
+
938
+ X_sparse = sparse_container(X)
939
+
940
+ est_sparse = Cls(
941
+ n_estimators=100,
942
+ max_depth=1,
943
+ subsample=0.5,
944
+ random_state=1,
945
+ warm_start=True,
946
+ )
947
+ est_sparse.fit(X_sparse, y)
948
+ est_sparse.predict(X)
949
+ est_sparse.set_params(n_estimators=200)
950
+ est_sparse.fit(X_sparse, y)
951
+ y_pred_sparse = est_sparse.predict(X)
952
+
953
+ assert_array_almost_equal(
954
+ est_dense.oob_improvement_[:100], est_sparse.oob_improvement_[:100]
955
+ )
956
+ assert est_dense.oob_scores_[-1] == pytest.approx(est_dense.oob_score_)
957
+ assert_array_almost_equal(est_dense.oob_scores_[:100], est_sparse.oob_scores_[:100])
958
+ assert est_sparse.oob_scores_[-1] == pytest.approx(est_sparse.oob_score_)
959
+ assert_array_almost_equal(y_pred_dense, y_pred_sparse)
960
+
961
+
962
+ @pytest.mark.parametrize("Cls", GRADIENT_BOOSTING_ESTIMATORS)
963
+ def test_warm_start_fortran(Cls, global_random_seed):
964
+ # Test that feeding a X in Fortran-ordered is giving the same results as
965
+ # in C-ordered
966
+ X, y = datasets.make_hastie_10_2(n_samples=100, random_state=global_random_seed)
967
+ est_c = Cls(n_estimators=1, random_state=global_random_seed, warm_start=True)
968
+ est_fortran = Cls(n_estimators=1, random_state=global_random_seed, warm_start=True)
969
+
970
+ est_c.fit(X, y)
971
+ est_c.set_params(n_estimators=11)
972
+ est_c.fit(X, y)
973
+
974
+ X_fortran = np.asfortranarray(X)
975
+ est_fortran.fit(X_fortran, y)
976
+ est_fortran.set_params(n_estimators=11)
977
+ est_fortran.fit(X_fortran, y)
978
+
979
+ assert_allclose(est_c.predict(X), est_fortran.predict(X))
980
+
981
+
982
+ def early_stopping_monitor(i, est, locals):
983
+ """Returns True on the 10th iteration."""
984
+ if i == 9:
985
+ return True
986
+ else:
987
+ return False
988
+
989
+
990
+ @pytest.mark.parametrize("Cls", GRADIENT_BOOSTING_ESTIMATORS)
991
+ def test_monitor_early_stopping(Cls):
992
+ # Test if monitor return value works.
993
+ X, y = datasets.make_hastie_10_2(n_samples=100, random_state=1)
994
+
995
+ est = Cls(n_estimators=20, max_depth=1, random_state=1, subsample=0.5)
996
+ est.fit(X, y, monitor=early_stopping_monitor)
997
+ assert est.n_estimators == 20 # this is not altered
998
+ assert est.estimators_.shape[0] == 10
999
+ assert est.train_score_.shape[0] == 10
1000
+ assert est.oob_improvement_.shape[0] == 10
1001
+ assert est.oob_scores_.shape[0] == 10
1002
+ assert est.oob_scores_[-1] == pytest.approx(est.oob_score_)
1003
+
1004
+ # try refit
1005
+ est.set_params(n_estimators=30)
1006
+ est.fit(X, y)
1007
+ assert est.n_estimators == 30
1008
+ assert est.estimators_.shape[0] == 30
1009
+ assert est.train_score_.shape[0] == 30
1010
+ assert est.oob_improvement_.shape[0] == 30
1011
+ assert est.oob_scores_.shape[0] == 30
1012
+ assert est.oob_scores_[-1] == pytest.approx(est.oob_score_)
1013
+
1014
+ est = Cls(
1015
+ n_estimators=20, max_depth=1, random_state=1, subsample=0.5, warm_start=True
1016
+ )
1017
+ est.fit(X, y, monitor=early_stopping_monitor)
1018
+ assert est.n_estimators == 20
1019
+ assert est.estimators_.shape[0] == 10
1020
+ assert est.train_score_.shape[0] == 10
1021
+ assert est.oob_improvement_.shape[0] == 10
1022
+ assert est.oob_scores_.shape[0] == 10
1023
+ assert est.oob_scores_[-1] == pytest.approx(est.oob_score_)
1024
+
1025
+ # try refit
1026
+ est.set_params(n_estimators=30, warm_start=False)
1027
+ est.fit(X, y)
1028
+ assert est.n_estimators == 30
1029
+ assert est.train_score_.shape[0] == 30
1030
+ assert est.estimators_.shape[0] == 30
1031
+ assert est.oob_improvement_.shape[0] == 30
1032
+ assert est.oob_scores_.shape[0] == 30
1033
+ assert est.oob_scores_[-1] == pytest.approx(est.oob_score_)
1034
+
1035
+
1036
+ def test_complete_classification():
1037
+ # Test greedy trees with max_depth + 1 leafs.
1038
+ from sklearn.tree._tree import TREE_LEAF
1039
+
1040
+ X, y = datasets.make_hastie_10_2(n_samples=100, random_state=1)
1041
+ k = 4
1042
+
1043
+ est = GradientBoostingClassifier(
1044
+ n_estimators=20, max_depth=None, random_state=1, max_leaf_nodes=k + 1
1045
+ )
1046
+ est.fit(X, y)
1047
+
1048
+ tree = est.estimators_[0, 0].tree_
1049
+ assert tree.max_depth == k
1050
+ assert tree.children_left[tree.children_left == TREE_LEAF].shape[0] == k + 1
1051
+
1052
+
1053
+ def test_complete_regression():
1054
+ # Test greedy trees with max_depth + 1 leafs.
1055
+ from sklearn.tree._tree import TREE_LEAF
1056
+
1057
+ k = 4
1058
+
1059
+ est = GradientBoostingRegressor(
1060
+ n_estimators=20, max_depth=None, random_state=1, max_leaf_nodes=k + 1
1061
+ )
1062
+ est.fit(X_reg, y_reg)
1063
+
1064
+ tree = est.estimators_[-1, 0].tree_
1065
+ assert tree.children_left[tree.children_left == TREE_LEAF].shape[0] == k + 1
1066
+
1067
+
1068
+ def test_zero_estimator_reg(global_random_seed):
1069
+ # Test if init='zero' works for regression by checking that it is better
1070
+ # than a simple baseline.
1071
+
1072
+ baseline = DummyRegressor(strategy="mean").fit(X_reg, y_reg)
1073
+ mse_baseline = mean_squared_error(baseline.predict(X_reg), y_reg)
1074
+ est = GradientBoostingRegressor(
1075
+ n_estimators=5,
1076
+ max_depth=1,
1077
+ random_state=global_random_seed,
1078
+ init="zero",
1079
+ learning_rate=0.5,
1080
+ )
1081
+ est.fit(X_reg, y_reg)
1082
+ y_pred = est.predict(X_reg)
1083
+ mse_gbdt = mean_squared_error(y_reg, y_pred)
1084
+ assert mse_gbdt < mse_baseline
1085
+
1086
+
1087
+ def test_zero_estimator_clf(global_random_seed):
1088
+ # Test if init='zero' works for classification.
1089
+ X = iris.data
1090
+ y = np.array(iris.target)
1091
+
1092
+ est = GradientBoostingClassifier(
1093
+ n_estimators=20, max_depth=1, random_state=global_random_seed, init="zero"
1094
+ )
1095
+ est.fit(X, y)
1096
+
1097
+ assert est.score(X, y) > 0.96
1098
+
1099
+ # binary clf
1100
+ mask = y != 0
1101
+ y[mask] = 1
1102
+ y[~mask] = 0
1103
+ est = GradientBoostingClassifier(
1104
+ n_estimators=20, max_depth=1, random_state=global_random_seed, init="zero"
1105
+ )
1106
+ est.fit(X, y)
1107
+ assert est.score(X, y) > 0.96
1108
+
1109
+
1110
+ @pytest.mark.parametrize("GBEstimator", GRADIENT_BOOSTING_ESTIMATORS)
1111
+ def test_max_leaf_nodes_max_depth(GBEstimator):
1112
+ # Test precedence of max_leaf_nodes over max_depth.
1113
+ X, y = datasets.make_hastie_10_2(n_samples=100, random_state=1)
1114
+
1115
+ k = 4
1116
+
1117
+ est = GBEstimator(max_depth=1, max_leaf_nodes=k).fit(X, y)
1118
+ tree = est.estimators_[0, 0].tree_
1119
+ assert tree.max_depth == 1
1120
+
1121
+ est = GBEstimator(max_depth=1).fit(X, y)
1122
+ tree = est.estimators_[0, 0].tree_
1123
+ assert tree.max_depth == 1
1124
+
1125
+
1126
+ @pytest.mark.parametrize("GBEstimator", GRADIENT_BOOSTING_ESTIMATORS)
1127
+ def test_min_impurity_decrease(GBEstimator):
1128
+ X, y = datasets.make_hastie_10_2(n_samples=100, random_state=1)
1129
+
1130
+ est = GBEstimator(min_impurity_decrease=0.1)
1131
+ est.fit(X, y)
1132
+ for tree in est.estimators_.flat:
1133
+ # Simply check if the parameter is passed on correctly. Tree tests
1134
+ # will suffice for the actual working of this param
1135
+ assert tree.min_impurity_decrease == 0.1
1136
+
1137
+
1138
+ def test_warm_start_wo_nestimators_change():
1139
+ # Test if warm_start does nothing if n_estimators is not changed.
1140
+ # Regression test for #3513.
1141
+ clf = GradientBoostingClassifier(n_estimators=10, warm_start=True)
1142
+ clf.fit([[0, 1], [2, 3]], [0, 1])
1143
+ assert clf.estimators_.shape[0] == 10
1144
+ clf.fit([[0, 1], [2, 3]], [0, 1])
1145
+ assert clf.estimators_.shape[0] == 10
1146
+
1147
+
1148
+ @pytest.mark.parametrize(
1149
+ ("loss", "value"),
1150
+ [
1151
+ ("squared_error", 0.5),
1152
+ ("absolute_error", 0.0),
1153
+ ("huber", 0.5),
1154
+ ("quantile", 0.5),
1155
+ ],
1156
+ )
1157
+ def test_non_uniform_weights_toy_edge_case_reg(loss, value):
1158
+ X = [[1, 0], [1, 0], [1, 0], [0, 1]]
1159
+ y = [0, 0, 1, 0]
1160
+ # ignore the first 2 training samples by setting their weight to 0
1161
+ sample_weight = [0, 0, 1, 1]
1162
+ gb = GradientBoostingRegressor(learning_rate=1.0, n_estimators=2, loss=loss)
1163
+ gb.fit(X, y, sample_weight=sample_weight)
1164
+ assert gb.predict([[1, 0]])[0] >= value
1165
+
1166
+
1167
+ def test_non_uniform_weights_toy_edge_case_clf():
1168
+ X = [[1, 0], [1, 0], [1, 0], [0, 1]]
1169
+ y = [0, 0, 1, 0]
1170
+ # ignore the first 2 training samples by setting their weight to 0
1171
+ sample_weight = [0, 0, 1, 1]
1172
+ for loss in ("log_loss", "exponential"):
1173
+ gb = GradientBoostingClassifier(n_estimators=5, loss=loss)
1174
+ gb.fit(X, y, sample_weight=sample_weight)
1175
+ assert_array_equal(gb.predict([[1, 0]]), [1])
1176
+
1177
+
1178
+ @skip_if_32bit
1179
+ @pytest.mark.parametrize(
1180
+ "EstimatorClass", (GradientBoostingClassifier, GradientBoostingRegressor)
1181
+ )
1182
+ @pytest.mark.parametrize(
1183
+ "sparse_container", COO_CONTAINERS + CSC_CONTAINERS + CSR_CONTAINERS
1184
+ )
1185
+ def test_sparse_input(EstimatorClass, sparse_container):
1186
+ y, X = datasets.make_multilabel_classification(
1187
+ random_state=0, n_samples=50, n_features=1, n_classes=20
1188
+ )
1189
+ y = y[:, 0]
1190
+ X_sparse = sparse_container(X)
1191
+
1192
+ dense = EstimatorClass(
1193
+ n_estimators=10, random_state=0, max_depth=2, min_impurity_decrease=1e-7
1194
+ ).fit(X, y)
1195
+ sparse = EstimatorClass(
1196
+ n_estimators=10, random_state=0, max_depth=2, min_impurity_decrease=1e-7
1197
+ ).fit(X_sparse, y)
1198
+
1199
+ assert_array_almost_equal(sparse.apply(X), dense.apply(X))
1200
+ assert_array_almost_equal(sparse.predict(X), dense.predict(X))
1201
+ assert_array_almost_equal(sparse.feature_importances_, dense.feature_importances_)
1202
+
1203
+ assert_array_almost_equal(sparse.predict(X_sparse), dense.predict(X))
1204
+ assert_array_almost_equal(dense.predict(X_sparse), sparse.predict(X))
1205
+
1206
+ if issubclass(EstimatorClass, GradientBoostingClassifier):
1207
+ assert_array_almost_equal(sparse.predict_proba(X), dense.predict_proba(X))
1208
+ assert_array_almost_equal(
1209
+ sparse.predict_log_proba(X), dense.predict_log_proba(X)
1210
+ )
1211
+
1212
+ assert_array_almost_equal(
1213
+ sparse.decision_function(X_sparse), sparse.decision_function(X)
1214
+ )
1215
+ assert_array_almost_equal(
1216
+ dense.decision_function(X_sparse), sparse.decision_function(X)
1217
+ )
1218
+ for res_sparse, res in zip(
1219
+ sparse.staged_decision_function(X_sparse),
1220
+ sparse.staged_decision_function(X),
1221
+ ):
1222
+ assert_array_almost_equal(res_sparse, res)
1223
+
1224
+
1225
+ @pytest.mark.parametrize(
1226
+ "GradientBoostingEstimator", [GradientBoostingClassifier, GradientBoostingRegressor]
1227
+ )
1228
+ def test_gradient_boosting_early_stopping(GradientBoostingEstimator):
1229
+ # Check if early stopping works as expected, that is empirically check that the
1230
+ # number of trained estimators is increasing when the tolerance decreases.
1231
+
1232
+ X, y = make_classification(n_samples=1000, random_state=0)
1233
+ n_estimators = 1000
1234
+
1235
+ gb_large_tol = GradientBoostingEstimator(
1236
+ n_estimators=n_estimators,
1237
+ n_iter_no_change=10,
1238
+ learning_rate=0.1,
1239
+ max_depth=3,
1240
+ random_state=42,
1241
+ tol=1e-1,
1242
+ )
1243
+
1244
+ gb_small_tol = GradientBoostingEstimator(
1245
+ n_estimators=n_estimators,
1246
+ n_iter_no_change=10,
1247
+ learning_rate=0.1,
1248
+ max_depth=3,
1249
+ random_state=42,
1250
+ tol=1e-3,
1251
+ )
1252
+
1253
+ X_train, X_test, y_train, y_test = train_test_split(X, y, random_state=42)
1254
+ gb_large_tol.fit(X_train, y_train)
1255
+ gb_small_tol.fit(X_train, y_train)
1256
+
1257
+ assert gb_large_tol.n_estimators_ < gb_small_tol.n_estimators_ < n_estimators
1258
+
1259
+ assert gb_large_tol.score(X_test, y_test) > 0.7
1260
+ assert gb_small_tol.score(X_test, y_test) > 0.7
1261
+
1262
+
1263
+ def test_gradient_boosting_without_early_stopping():
1264
+ # When early stopping is not used, the number of trained estimators
1265
+ # must be the one specified.
1266
+ X, y = make_classification(n_samples=1000, random_state=0)
1267
+
1268
+ gbc = GradientBoostingClassifier(
1269
+ n_estimators=50, learning_rate=0.1, max_depth=3, random_state=42
1270
+ )
1271
+ gbc.fit(X, y)
1272
+ gbr = GradientBoostingRegressor(
1273
+ n_estimators=30, learning_rate=0.1, max_depth=3, random_state=42
1274
+ )
1275
+ gbr.fit(X, y)
1276
+
1277
+ # The number of trained estimators must be the one specified.
1278
+ assert gbc.n_estimators_ == 50
1279
+ assert gbr.n_estimators_ == 30
1280
+
1281
+
1282
+ def test_gradient_boosting_validation_fraction():
1283
+ X, y = make_classification(n_samples=1000, random_state=0)
1284
+
1285
+ gbc = GradientBoostingClassifier(
1286
+ n_estimators=100,
1287
+ n_iter_no_change=10,
1288
+ validation_fraction=0.1,
1289
+ learning_rate=0.1,
1290
+ max_depth=3,
1291
+ random_state=42,
1292
+ )
1293
+ gbc2 = clone(gbc).set_params(validation_fraction=0.3)
1294
+ gbc3 = clone(gbc).set_params(n_iter_no_change=20)
1295
+
1296
+ gbr = GradientBoostingRegressor(
1297
+ n_estimators=100,
1298
+ n_iter_no_change=10,
1299
+ learning_rate=0.1,
1300
+ max_depth=3,
1301
+ validation_fraction=0.1,
1302
+ random_state=42,
1303
+ )
1304
+ gbr2 = clone(gbr).set_params(validation_fraction=0.3)
1305
+ gbr3 = clone(gbr).set_params(n_iter_no_change=20)
1306
+
1307
+ X_train, X_test, y_train, y_test = train_test_split(X, y, random_state=42)
1308
+ # Check if validation_fraction has an effect
1309
+ gbc.fit(X_train, y_train)
1310
+ gbc2.fit(X_train, y_train)
1311
+ assert gbc.n_estimators_ != gbc2.n_estimators_
1312
+
1313
+ gbr.fit(X_train, y_train)
1314
+ gbr2.fit(X_train, y_train)
1315
+ assert gbr.n_estimators_ != gbr2.n_estimators_
1316
+
1317
+ # Check if n_estimators_ increase monotonically with n_iter_no_change
1318
+ # Set validation
1319
+ gbc3.fit(X_train, y_train)
1320
+ gbr3.fit(X_train, y_train)
1321
+ assert gbr.n_estimators_ < gbr3.n_estimators_
1322
+ assert gbc.n_estimators_ < gbc3.n_estimators_
1323
+
1324
+
1325
+ def test_early_stopping_stratified():
1326
+ # Make sure data splitting for early stopping is stratified
1327
+ X = [[1, 2], [2, 3], [3, 4], [4, 5]]
1328
+ y = [0, 0, 0, 1]
1329
+
1330
+ gbc = GradientBoostingClassifier(n_iter_no_change=5)
1331
+ with pytest.raises(
1332
+ ValueError, match="The least populated class in y has only 1 member"
1333
+ ):
1334
+ gbc.fit(X, y)
1335
+
1336
+
1337
+ def _make_multiclass():
1338
+ return make_classification(n_classes=3, n_clusters_per_class=1)
1339
+
1340
+
1341
+ @pytest.mark.parametrize(
1342
+ "gb, dataset_maker, init_estimator",
1343
+ [
1344
+ (GradientBoostingClassifier, make_classification, DummyClassifier),
1345
+ (GradientBoostingClassifier, _make_multiclass, DummyClassifier),
1346
+ (GradientBoostingRegressor, make_regression, DummyRegressor),
1347
+ ],
1348
+ ids=["binary classification", "multiclass classification", "regression"],
1349
+ )
1350
+ def test_gradient_boosting_with_init(
1351
+ gb, dataset_maker, init_estimator, global_random_seed
1352
+ ):
1353
+ # Check that GradientBoostingRegressor works when init is a sklearn
1354
+ # estimator.
1355
+ # Check that an error is raised if trying to fit with sample weight but
1356
+ # initial estimator does not support sample weight
1357
+
1358
+ X, y = dataset_maker()
1359
+ sample_weight = np.random.RandomState(global_random_seed).rand(100)
1360
+
1361
+ # init supports sample weights
1362
+ init_est = init_estimator()
1363
+ gb(init=init_est).fit(X, y, sample_weight=sample_weight)
1364
+
1365
+ # init does not support sample weights
1366
+ init_est = NoSampleWeightWrapper(init_estimator())
1367
+ gb(init=init_est).fit(X, y) # ok no sample weights
1368
+ with pytest.raises(ValueError, match="estimator.*does not support sample weights"):
1369
+ gb(init=init_est).fit(X, y, sample_weight=sample_weight)
1370
+
1371
+
1372
+ def test_gradient_boosting_with_init_pipeline():
1373
+ # Check that the init estimator can be a pipeline (see issue #13466)
1374
+
1375
+ X, y = make_regression(random_state=0)
1376
+ init = make_pipeline(LinearRegression())
1377
+ gb = GradientBoostingRegressor(init=init)
1378
+ gb.fit(X, y) # pipeline without sample_weight works fine
1379
+
1380
+ with pytest.raises(
1381
+ ValueError,
1382
+ match="The initial estimator Pipeline does not support sample weights",
1383
+ ):
1384
+ gb.fit(X, y, sample_weight=np.ones(X.shape[0]))
1385
+
1386
+ # Passing sample_weight to a pipeline raises a ValueError. This test makes
1387
+ # sure we make the distinction between ValueError raised by a pipeline that
1388
+ # was passed sample_weight, and a InvalidParameterError raised by a regular
1389
+ # estimator whose input checking failed.
1390
+ invalid_nu = 1.5
1391
+ err_msg = (
1392
+ "The 'nu' parameter of NuSVR must be a float in the"
1393
+ f" range (0.0, 1.0]. Got {invalid_nu} instead."
1394
+ )
1395
+ with pytest.raises(InvalidParameterError, match=re.escape(err_msg)):
1396
+ # Note that NuSVR properly supports sample_weight
1397
+ init = NuSVR(gamma="auto", nu=invalid_nu)
1398
+ gb = GradientBoostingRegressor(init=init)
1399
+ gb.fit(X, y, sample_weight=np.ones(X.shape[0]))
1400
+
1401
+
1402
+ def test_early_stopping_n_classes():
1403
+ # when doing early stopping (_, , y_train, _ = train_test_split(X, y))
1404
+ # there might be classes in y that are missing in y_train. As the init
1405
+ # estimator will be trained on y_train, we need to raise an error if this
1406
+ # happens.
1407
+
1408
+ X = [[1]] * 10
1409
+ y = [0, 0] + [1] * 8 # only 2 negative class over 10 samples
1410
+ gb = GradientBoostingClassifier(
1411
+ n_iter_no_change=5, random_state=0, validation_fraction=0.8
1412
+ )
1413
+ with pytest.raises(
1414
+ ValueError, match="The training data after the early stopping split"
1415
+ ):
1416
+ gb.fit(X, y)
1417
+
1418
+ # No error if we let training data be big enough
1419
+ gb = GradientBoostingClassifier(
1420
+ n_iter_no_change=5, random_state=0, validation_fraction=0.4
1421
+ )
1422
+
1423
+
1424
+ def test_gbr_degenerate_feature_importances():
1425
+ # growing an ensemble of single node trees. See #13620
1426
+ X = np.zeros((10, 10))
1427
+ y = np.ones((10,))
1428
+ gbr = GradientBoostingRegressor().fit(X, y)
1429
+ assert_array_equal(gbr.feature_importances_, np.zeros(10, dtype=np.float64))
1430
+
1431
+
1432
+ def test_huber_vs_mean_and_median():
1433
+ """Check that huber lies between absolute and squared error."""
1434
+ n_rep = 100
1435
+ n_samples = 10
1436
+ y = np.tile(np.arange(n_samples), n_rep)
1437
+ x1 = np.minimum(y, n_samples / 2)
1438
+ x2 = np.minimum(-y, -n_samples / 2)
1439
+ X = np.c_[x1, x2]
1440
+
1441
+ rng = np.random.RandomState(42)
1442
+ # We want an asymmetric distribution.
1443
+ y = y + rng.exponential(scale=1, size=y.shape)
1444
+
1445
+ gbt_absolute_error = GradientBoostingRegressor(loss="absolute_error").fit(X, y)
1446
+ gbt_huber = GradientBoostingRegressor(loss="huber").fit(X, y)
1447
+ gbt_squared_error = GradientBoostingRegressor().fit(X, y)
1448
+
1449
+ gbt_huber_predictions = gbt_huber.predict(X)
1450
+ assert np.all(gbt_absolute_error.predict(X) <= gbt_huber_predictions)
1451
+ assert np.all(gbt_huber_predictions <= gbt_squared_error.predict(X))
1452
+
1453
+
1454
+ def test_safe_divide():
1455
+ """Test that _safe_divide handles division by zero."""
1456
+ with warnings.catch_warnings():
1457
+ warnings.simplefilter("error")
1458
+ assert _safe_divide(np.float64(1e300), 0) == 0
1459
+ assert _safe_divide(np.float64(0.0), np.float64(0.0)) == 0
1460
+ with pytest.warns(RuntimeWarning, match="overflow"):
1461
+ # np.finfo(float).max = 1.7976931348623157e+308
1462
+ _safe_divide(np.float64(1e300), 1e-10)
1463
+
1464
+
1465
+ def test_squared_error_exact_backward_compat():
1466
+ """Test squared error GBT backward compat on a simple dataset.
1467
+
1468
+ The results to compare against are taken from scikit-learn v1.2.0.
1469
+ """
1470
+ n_samples = 10
1471
+ y = np.arange(n_samples)
1472
+ x1 = np.minimum(y, n_samples / 2)
1473
+ x2 = np.minimum(-y, -n_samples / 2)
1474
+ X = np.c_[x1, x2]
1475
+ gbt = GradientBoostingRegressor(loss="squared_error", n_estimators=100).fit(X, y)
1476
+
1477
+ pred_result = np.array(
1478
+ [
1479
+ 1.39245726e-04,
1480
+ 1.00010468e00,
1481
+ 2.00007043e00,
1482
+ 3.00004051e00,
1483
+ 4.00000802e00,
1484
+ 4.99998972e00,
1485
+ 5.99996312e00,
1486
+ 6.99993395e00,
1487
+ 7.99989372e00,
1488
+ 8.99985660e00,
1489
+ ]
1490
+ )
1491
+ assert_allclose(gbt.predict(X), pred_result, rtol=1e-8)
1492
+
1493
+ train_score = np.array(
1494
+ [
1495
+ 4.87246390e-08,
1496
+ 3.95590036e-08,
1497
+ 3.21267865e-08,
1498
+ 2.60970300e-08,
1499
+ 2.11820178e-08,
1500
+ 1.71995782e-08,
1501
+ 1.39695549e-08,
1502
+ 1.13391770e-08,
1503
+ 9.19931587e-09,
1504
+ 7.47000575e-09,
1505
+ ]
1506
+ )
1507
+ assert_allclose(gbt.train_score_[-10:], train_score, rtol=1e-8)
1508
+
1509
+ # Same but with sample_weights
1510
+ sample_weights = np.tile([1, 10], n_samples // 2)
1511
+ gbt = GradientBoostingRegressor(loss="squared_error", n_estimators=100).fit(
1512
+ X, y, sample_weight=sample_weights
1513
+ )
1514
+
1515
+ pred_result = np.array(
1516
+ [
1517
+ 1.52391462e-04,
1518
+ 1.00011168e00,
1519
+ 2.00007724e00,
1520
+ 3.00004638e00,
1521
+ 4.00001302e00,
1522
+ 4.99999873e00,
1523
+ 5.99997093e00,
1524
+ 6.99994329e00,
1525
+ 7.99991290e00,
1526
+ 8.99988727e00,
1527
+ ]
1528
+ )
1529
+ assert_allclose(gbt.predict(X), pred_result, rtol=1e-6, atol=1e-5)
1530
+
1531
+ train_score = np.array(
1532
+ [
1533
+ 4.12445296e-08,
1534
+ 3.34418322e-08,
1535
+ 2.71151383e-08,
1536
+ 2.19782469e-08,
1537
+ 1.78173649e-08,
1538
+ 1.44461976e-08,
1539
+ 1.17120123e-08,
1540
+ 9.49485678e-09,
1541
+ 7.69772505e-09,
1542
+ 6.24155316e-09,
1543
+ ]
1544
+ )
1545
+ assert_allclose(gbt.train_score_[-10:], train_score, rtol=1e-3, atol=1e-11)
1546
+
1547
+
1548
+ @skip_if_32bit
1549
+ def test_huber_exact_backward_compat():
1550
+ """Test huber GBT backward compat on a simple dataset.
1551
+
1552
+ The results to compare against are taken from scikit-learn v1.2.0.
1553
+ """
1554
+ n_samples = 10
1555
+ y = np.arange(n_samples)
1556
+ x1 = np.minimum(y, n_samples / 2)
1557
+ x2 = np.minimum(-y, -n_samples / 2)
1558
+ X = np.c_[x1, x2]
1559
+ gbt = GradientBoostingRegressor(loss="huber", n_estimators=100, alpha=0.8).fit(X, y)
1560
+
1561
+ assert_allclose(gbt._loss.closs.delta, 0.0001655688041282133)
1562
+
1563
+ pred_result = np.array(
1564
+ [
1565
+ 1.48120765e-04,
1566
+ 9.99949174e-01,
1567
+ 2.00116957e00,
1568
+ 2.99986716e00,
1569
+ 4.00012064e00,
1570
+ 5.00002462e00,
1571
+ 5.99998898e00,
1572
+ 6.99692549e00,
1573
+ 8.00006356e00,
1574
+ 8.99985099e00,
1575
+ ]
1576
+ )
1577
+ assert_allclose(gbt.predict(X), pred_result, rtol=1e-8)
1578
+
1579
+ train_score = np.array(
1580
+ [
1581
+ 2.59484709e-07,
1582
+ 2.19165900e-07,
1583
+ 1.89644782e-07,
1584
+ 1.64556454e-07,
1585
+ 1.38705110e-07,
1586
+ 1.20373736e-07,
1587
+ 1.04746082e-07,
1588
+ 9.13835687e-08,
1589
+ 8.20245756e-08,
1590
+ 7.17122188e-08,
1591
+ ]
1592
+ )
1593
+ assert_allclose(gbt.train_score_[-10:], train_score, rtol=1e-8)
1594
+
1595
+
1596
+ def test_binomial_error_exact_backward_compat():
1597
+ """Test binary log_loss GBT backward compat on a simple dataset.
1598
+
1599
+ The results to compare against are taken from scikit-learn v1.2.0.
1600
+ """
1601
+ n_samples = 10
1602
+ y = np.arange(n_samples) % 2
1603
+ x1 = np.minimum(y, n_samples / 2)
1604
+ x2 = np.minimum(-y, -n_samples / 2)
1605
+ X = np.c_[x1, x2]
1606
+ gbt = GradientBoostingClassifier(loss="log_loss", n_estimators=100).fit(X, y)
1607
+
1608
+ pred_result = np.array(
1609
+ [
1610
+ [9.99978098e-01, 2.19017313e-05],
1611
+ [2.19017313e-05, 9.99978098e-01],
1612
+ [9.99978098e-01, 2.19017313e-05],
1613
+ [2.19017313e-05, 9.99978098e-01],
1614
+ [9.99978098e-01, 2.19017313e-05],
1615
+ [2.19017313e-05, 9.99978098e-01],
1616
+ [9.99978098e-01, 2.19017313e-05],
1617
+ [2.19017313e-05, 9.99978098e-01],
1618
+ [9.99978098e-01, 2.19017313e-05],
1619
+ [2.19017313e-05, 9.99978098e-01],
1620
+ ]
1621
+ )
1622
+ assert_allclose(gbt.predict_proba(X), pred_result, rtol=1e-8)
1623
+
1624
+ train_score = np.array(
1625
+ [
1626
+ 1.07742210e-04,
1627
+ 9.74889078e-05,
1628
+ 8.82113863e-05,
1629
+ 7.98167784e-05,
1630
+ 7.22210566e-05,
1631
+ 6.53481907e-05,
1632
+ 5.91293869e-05,
1633
+ 5.35023988e-05,
1634
+ 4.84109045e-05,
1635
+ 4.38039423e-05,
1636
+ ]
1637
+ )
1638
+ assert_allclose(gbt.train_score_[-10:], train_score, rtol=1e-8)
1639
+
1640
+
1641
+ def test_multinomial_error_exact_backward_compat():
1642
+ """Test multiclass log_loss GBT backward compat on a simple dataset.
1643
+
1644
+ The results to compare against are taken from scikit-learn v1.2.0.
1645
+ """
1646
+ n_samples = 10
1647
+ y = np.arange(n_samples) % 4
1648
+ x1 = np.minimum(y, n_samples / 2)
1649
+ x2 = np.minimum(-y, -n_samples / 2)
1650
+ X = np.c_[x1, x2]
1651
+ gbt = GradientBoostingClassifier(loss="log_loss", n_estimators=100).fit(X, y)
1652
+
1653
+ pred_result = np.array(
1654
+ [
1655
+ [9.99999727e-01, 1.11956255e-07, 8.04921671e-08, 8.04921668e-08],
1656
+ [1.11956254e-07, 9.99999727e-01, 8.04921671e-08, 8.04921668e-08],
1657
+ [1.19417637e-07, 1.19417637e-07, 9.99999675e-01, 8.60526098e-08],
1658
+ [1.19417637e-07, 1.19417637e-07, 8.60526088e-08, 9.99999675e-01],
1659
+ [9.99999727e-01, 1.11956255e-07, 8.04921671e-08, 8.04921668e-08],
1660
+ [1.11956254e-07, 9.99999727e-01, 8.04921671e-08, 8.04921668e-08],
1661
+ [1.19417637e-07, 1.19417637e-07, 9.99999675e-01, 8.60526098e-08],
1662
+ [1.19417637e-07, 1.19417637e-07, 8.60526088e-08, 9.99999675e-01],
1663
+ [9.99999727e-01, 1.11956255e-07, 8.04921671e-08, 8.04921668e-08],
1664
+ [1.11956254e-07, 9.99999727e-01, 8.04921671e-08, 8.04921668e-08],
1665
+ ]
1666
+ )
1667
+ assert_allclose(gbt.predict_proba(X), pred_result, rtol=1e-8)
1668
+
1669
+ train_score = np.array(
1670
+ [
1671
+ 1.13300150e-06,
1672
+ 9.75183397e-07,
1673
+ 8.39348103e-07,
1674
+ 7.22433588e-07,
1675
+ 6.21804338e-07,
1676
+ 5.35191943e-07,
1677
+ 4.60643966e-07,
1678
+ 3.96479930e-07,
1679
+ 3.41253434e-07,
1680
+ 2.93719550e-07,
1681
+ ]
1682
+ )
1683
+ assert_allclose(gbt.train_score_[-10:], train_score, rtol=1e-8)
1684
+
1685
+
1686
+ def test_gb_denominator_zero(global_random_seed):
1687
+ """Test _update_terminal_regions denominator is not zero.
1688
+
1689
+ For instance for log loss based binary classification, the line search step might
1690
+ become nan/inf as denominator = hessian = prob * (1 - prob) and prob = 0 or 1 can
1691
+ happen.
1692
+ Here, we create a situation were this happens (at least with roughly 80%) based
1693
+ on the random seed.
1694
+ """
1695
+ X, y = datasets.make_hastie_10_2(n_samples=100, random_state=20)
1696
+
1697
+ params = {
1698
+ "learning_rate": 1.0,
1699
+ "subsample": 0.5,
1700
+ "n_estimators": 100,
1701
+ "max_leaf_nodes": 4,
1702
+ "max_depth": None,
1703
+ "random_state": global_random_seed,
1704
+ "min_samples_leaf": 2,
1705
+ }
1706
+
1707
+ clf = GradientBoostingClassifier(**params)
1708
+ # _safe_devide would raise a RuntimeWarning
1709
+ with warnings.catch_warnings():
1710
+ warnings.simplefilter("error")
1711
+ clf.fit(X, y)
openflamingo/lib/python3.10/site-packages/sklearn/ensemble/tests/test_iforest.py ADDED
@@ -0,0 +1,393 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ """
2
+ Testing for Isolation Forest algorithm (sklearn.ensemble.iforest).
3
+ """
4
+
5
+ # Authors: The scikit-learn developers
6
+ # SPDX-License-Identifier: BSD-3-Clause
7
+
8
+ import warnings
9
+ from unittest.mock import Mock, patch
10
+
11
+ import numpy as np
12
+ import pytest
13
+ from joblib import parallel_backend
14
+
15
+ from sklearn.datasets import load_diabetes, load_iris, make_classification
16
+ from sklearn.ensemble import IsolationForest
17
+ from sklearn.ensemble._iforest import _average_path_length
18
+ from sklearn.metrics import roc_auc_score
19
+ from sklearn.model_selection import ParameterGrid, train_test_split
20
+ from sklearn.utils import check_random_state
21
+ from sklearn.utils._testing import (
22
+ assert_allclose,
23
+ assert_array_almost_equal,
24
+ assert_array_equal,
25
+ ignore_warnings,
26
+ )
27
+ from sklearn.utils.fixes import CSC_CONTAINERS, CSR_CONTAINERS
28
+
29
+ # load iris & diabetes dataset
30
+ iris = load_iris()
31
+ diabetes = load_diabetes()
32
+
33
+
34
+ def test_iforest(global_random_seed):
35
+ """Check Isolation Forest for various parameter settings."""
36
+ X_train = np.array([[0, 1], [1, 2]])
37
+ X_test = np.array([[2, 1], [1, 1]])
38
+
39
+ grid = ParameterGrid(
40
+ {"n_estimators": [3], "max_samples": [0.5, 1.0, 3], "bootstrap": [True, False]}
41
+ )
42
+
43
+ with ignore_warnings():
44
+ for params in grid:
45
+ IsolationForest(random_state=global_random_seed, **params).fit(
46
+ X_train
47
+ ).predict(X_test)
48
+
49
+
50
+ @pytest.mark.parametrize("sparse_container", CSC_CONTAINERS + CSR_CONTAINERS)
51
+ def test_iforest_sparse(global_random_seed, sparse_container):
52
+ """Check IForest for various parameter settings on sparse input."""
53
+ rng = check_random_state(global_random_seed)
54
+ X_train, X_test = train_test_split(diabetes.data[:50], random_state=rng)
55
+ grid = ParameterGrid({"max_samples": [0.5, 1.0], "bootstrap": [True, False]})
56
+
57
+ X_train_sparse = sparse_container(X_train)
58
+ X_test_sparse = sparse_container(X_test)
59
+
60
+ for params in grid:
61
+ # Trained on sparse format
62
+ sparse_classifier = IsolationForest(
63
+ n_estimators=10, random_state=global_random_seed, **params
64
+ ).fit(X_train_sparse)
65
+ sparse_results = sparse_classifier.predict(X_test_sparse)
66
+
67
+ # Trained on dense format
68
+ dense_classifier = IsolationForest(
69
+ n_estimators=10, random_state=global_random_seed, **params
70
+ ).fit(X_train)
71
+ dense_results = dense_classifier.predict(X_test)
72
+
73
+ assert_array_equal(sparse_results, dense_results)
74
+
75
+
76
+ def test_iforest_error():
77
+ """Test that it gives proper exception on deficient input."""
78
+ X = iris.data
79
+
80
+ # The dataset has less than 256 samples, explicitly setting
81
+ # max_samples > n_samples should result in a warning. If not set
82
+ # explicitly there should be no warning
83
+ warn_msg = "max_samples will be set to n_samples for estimation"
84
+ with pytest.warns(UserWarning, match=warn_msg):
85
+ IsolationForest(max_samples=1000).fit(X)
86
+ with warnings.catch_warnings():
87
+ warnings.simplefilter("error", UserWarning)
88
+ IsolationForest(max_samples="auto").fit(X)
89
+ with warnings.catch_warnings():
90
+ warnings.simplefilter("error", UserWarning)
91
+ IsolationForest(max_samples=np.int64(2)).fit(X)
92
+
93
+ # test X_test n_features match X_train one:
94
+ with pytest.raises(ValueError):
95
+ IsolationForest().fit(X).predict(X[:, 1:])
96
+
97
+
98
+ def test_recalculate_max_depth():
99
+ """Check max_depth recalculation when max_samples is reset to n_samples"""
100
+ X = iris.data
101
+ clf = IsolationForest().fit(X)
102
+ for est in clf.estimators_:
103
+ assert est.max_depth == int(np.ceil(np.log2(X.shape[0])))
104
+
105
+
106
+ def test_max_samples_attribute():
107
+ X = iris.data
108
+ clf = IsolationForest().fit(X)
109
+ assert clf.max_samples_ == X.shape[0]
110
+
111
+ clf = IsolationForest(max_samples=500)
112
+ warn_msg = "max_samples will be set to n_samples for estimation"
113
+ with pytest.warns(UserWarning, match=warn_msg):
114
+ clf.fit(X)
115
+ assert clf.max_samples_ == X.shape[0]
116
+
117
+ clf = IsolationForest(max_samples=0.4).fit(X)
118
+ assert clf.max_samples_ == 0.4 * X.shape[0]
119
+
120
+
121
+ def test_iforest_parallel_regression(global_random_seed):
122
+ """Check parallel regression."""
123
+ rng = check_random_state(global_random_seed)
124
+
125
+ X_train, X_test = train_test_split(diabetes.data, random_state=rng)
126
+
127
+ ensemble = IsolationForest(n_jobs=3, random_state=global_random_seed).fit(X_train)
128
+
129
+ ensemble.set_params(n_jobs=1)
130
+ y1 = ensemble.predict(X_test)
131
+ ensemble.set_params(n_jobs=2)
132
+ y2 = ensemble.predict(X_test)
133
+ assert_array_almost_equal(y1, y2)
134
+
135
+ ensemble = IsolationForest(n_jobs=1, random_state=global_random_seed).fit(X_train)
136
+
137
+ y3 = ensemble.predict(X_test)
138
+ assert_array_almost_equal(y1, y3)
139
+
140
+
141
+ def test_iforest_performance(global_random_seed):
142
+ """Test Isolation Forest performs well"""
143
+
144
+ # Generate train/test data
145
+ rng = check_random_state(global_random_seed)
146
+ X = 0.3 * rng.randn(600, 2)
147
+ X = rng.permutation(np.vstack((X + 2, X - 2)))
148
+ X_train = X[:1000]
149
+
150
+ # Generate some abnormal novel observations
151
+ X_outliers = rng.uniform(low=-1, high=1, size=(200, 2))
152
+ X_test = np.vstack((X[1000:], X_outliers))
153
+ y_test = np.array([0] * 200 + [1] * 200)
154
+
155
+ # fit the model
156
+ clf = IsolationForest(max_samples=100, random_state=rng).fit(X_train)
157
+
158
+ # predict scores (the lower, the more normal)
159
+ y_pred = -clf.decision_function(X_test)
160
+
161
+ # check that there is at most 6 errors (false positive or false negative)
162
+ assert roc_auc_score(y_test, y_pred) > 0.98
163
+
164
+
165
+ @pytest.mark.parametrize("contamination", [0.25, "auto"])
166
+ def test_iforest_works(contamination, global_random_seed):
167
+ # toy sample (the last two samples are outliers)
168
+ X = [[-2, -1], [-1, -1], [-1, -2], [1, 1], [1, 2], [2, 1], [7, 4], [-5, 9]]
169
+
170
+ # Test IsolationForest
171
+ clf = IsolationForest(random_state=global_random_seed, contamination=contamination)
172
+ clf.fit(X)
173
+ decision_func = -clf.decision_function(X)
174
+ pred = clf.predict(X)
175
+ # assert detect outliers:
176
+ assert np.min(decision_func[-2:]) > np.max(decision_func[:-2])
177
+ assert_array_equal(pred, 6 * [1] + 2 * [-1])
178
+
179
+
180
+ def test_max_samples_consistency():
181
+ # Make sure validated max_samples in iforest and BaseBagging are identical
182
+ X = iris.data
183
+ clf = IsolationForest().fit(X)
184
+ assert clf.max_samples_ == clf._max_samples
185
+
186
+
187
+ def test_iforest_subsampled_features():
188
+ # It tests non-regression for #5732 which failed at predict.
189
+ rng = check_random_state(0)
190
+ X_train, X_test, y_train, y_test = train_test_split(
191
+ diabetes.data[:50], diabetes.target[:50], random_state=rng
192
+ )
193
+ clf = IsolationForest(max_features=0.8)
194
+ clf.fit(X_train, y_train)
195
+ clf.predict(X_test)
196
+
197
+
198
+ def test_iforest_average_path_length():
199
+ # It tests non-regression for #8549 which used the wrong formula
200
+ # for average path length, strictly for the integer case
201
+ # Updated to check average path length when input is <= 2 (issue #11839)
202
+ result_one = 2.0 * (np.log(4.0) + np.euler_gamma) - 2.0 * 4.0 / 5.0
203
+ result_two = 2.0 * (np.log(998.0) + np.euler_gamma) - 2.0 * 998.0 / 999.0
204
+ assert_allclose(_average_path_length([0]), [0.0])
205
+ assert_allclose(_average_path_length([1]), [0.0])
206
+ assert_allclose(_average_path_length([2]), [1.0])
207
+ assert_allclose(_average_path_length([5]), [result_one])
208
+ assert_allclose(_average_path_length([999]), [result_two])
209
+ assert_allclose(
210
+ _average_path_length(np.array([1, 2, 5, 999])),
211
+ [0.0, 1.0, result_one, result_two],
212
+ )
213
+ # _average_path_length is increasing
214
+ avg_path_length = _average_path_length(np.arange(5))
215
+ assert_array_equal(avg_path_length, np.sort(avg_path_length))
216
+
217
+
218
+ def test_score_samples():
219
+ X_train = [[1, 1], [1, 2], [2, 1]]
220
+ clf1 = IsolationForest(contamination=0.1).fit(X_train)
221
+ clf2 = IsolationForest().fit(X_train)
222
+ assert_array_equal(
223
+ clf1.score_samples([[2.0, 2.0]]),
224
+ clf1.decision_function([[2.0, 2.0]]) + clf1.offset_,
225
+ )
226
+ assert_array_equal(
227
+ clf2.score_samples([[2.0, 2.0]]),
228
+ clf2.decision_function([[2.0, 2.0]]) + clf2.offset_,
229
+ )
230
+ assert_array_equal(
231
+ clf1.score_samples([[2.0, 2.0]]), clf2.score_samples([[2.0, 2.0]])
232
+ )
233
+
234
+
235
+ def test_iforest_warm_start():
236
+ """Test iterative addition of iTrees to an iForest"""
237
+
238
+ rng = check_random_state(0)
239
+ X = rng.randn(20, 2)
240
+
241
+ # fit first 10 trees
242
+ clf = IsolationForest(
243
+ n_estimators=10, max_samples=20, random_state=rng, warm_start=True
244
+ )
245
+ clf.fit(X)
246
+ # remember the 1st tree
247
+ tree_1 = clf.estimators_[0]
248
+ # fit another 10 trees
249
+ clf.set_params(n_estimators=20)
250
+ clf.fit(X)
251
+ # expecting 20 fitted trees and no overwritten trees
252
+ assert len(clf.estimators_) == 20
253
+ assert clf.estimators_[0] is tree_1
254
+
255
+
256
+ # mock get_chunk_n_rows to actually test more than one chunk (here one
257
+ # chunk has 3 rows):
258
+ @patch(
259
+ "sklearn.ensemble._iforest.get_chunk_n_rows",
260
+ side_effect=Mock(**{"return_value": 3}),
261
+ )
262
+ @pytest.mark.parametrize("contamination, n_predict_calls", [(0.25, 3), ("auto", 2)])
263
+ def test_iforest_chunks_works1(
264
+ mocked_get_chunk, contamination, n_predict_calls, global_random_seed
265
+ ):
266
+ test_iforest_works(contamination, global_random_seed)
267
+ assert mocked_get_chunk.call_count == n_predict_calls
268
+
269
+
270
+ # idem with chunk_size = 10 rows
271
+ @patch(
272
+ "sklearn.ensemble._iforest.get_chunk_n_rows",
273
+ side_effect=Mock(**{"return_value": 10}),
274
+ )
275
+ @pytest.mark.parametrize("contamination, n_predict_calls", [(0.25, 3), ("auto", 2)])
276
+ def test_iforest_chunks_works2(
277
+ mocked_get_chunk, contamination, n_predict_calls, global_random_seed
278
+ ):
279
+ test_iforest_works(contamination, global_random_seed)
280
+ assert mocked_get_chunk.call_count == n_predict_calls
281
+
282
+
283
+ def test_iforest_with_uniform_data():
284
+ """Test whether iforest predicts inliers when using uniform data"""
285
+
286
+ # 2-d array of all 1s
287
+ X = np.ones((100, 10))
288
+ iforest = IsolationForest()
289
+ iforest.fit(X)
290
+
291
+ rng = np.random.RandomState(0)
292
+
293
+ assert all(iforest.predict(X) == 1)
294
+ assert all(iforest.predict(rng.randn(100, 10)) == 1)
295
+ assert all(iforest.predict(X + 1) == 1)
296
+ assert all(iforest.predict(X - 1) == 1)
297
+
298
+ # 2-d array where columns contain the same value across rows
299
+ X = np.repeat(rng.randn(1, 10), 100, 0)
300
+ iforest = IsolationForest()
301
+ iforest.fit(X)
302
+
303
+ assert all(iforest.predict(X) == 1)
304
+ assert all(iforest.predict(rng.randn(100, 10)) == 1)
305
+ assert all(iforest.predict(np.ones((100, 10))) == 1)
306
+
307
+ # Single row
308
+ X = rng.randn(1, 10)
309
+ iforest = IsolationForest()
310
+ iforest.fit(X)
311
+
312
+ assert all(iforest.predict(X) == 1)
313
+ assert all(iforest.predict(rng.randn(100, 10)) == 1)
314
+ assert all(iforest.predict(np.ones((100, 10))) == 1)
315
+
316
+
317
+ @pytest.mark.parametrize("csc_container", CSC_CONTAINERS)
318
+ def test_iforest_with_n_jobs_does_not_segfault(csc_container):
319
+ """Check that Isolation Forest does not segfault with n_jobs=2
320
+
321
+ Non-regression test for #23252
322
+ """
323
+ X, _ = make_classification(n_samples=85_000, n_features=100, random_state=0)
324
+ X = csc_container(X)
325
+ IsolationForest(n_estimators=10, max_samples=256, n_jobs=2).fit(X)
326
+
327
+
328
+ def test_iforest_preserve_feature_names():
329
+ """Check that feature names are preserved when contamination is not "auto".
330
+
331
+ Feature names are required for consistency checks during scoring.
332
+
333
+ Non-regression test for Issue #25844
334
+ """
335
+ pd = pytest.importorskip("pandas")
336
+ rng = np.random.RandomState(0)
337
+
338
+ X = pd.DataFrame(data=rng.randn(4), columns=["a"])
339
+ model = IsolationForest(random_state=0, contamination=0.05)
340
+
341
+ with warnings.catch_warnings():
342
+ warnings.simplefilter("error", UserWarning)
343
+ model.fit(X)
344
+
345
+
346
+ @pytest.mark.parametrize("sparse_container", CSC_CONTAINERS + CSR_CONTAINERS)
347
+ def test_iforest_sparse_input_float_contamination(sparse_container):
348
+ """Check that `IsolationForest` accepts sparse matrix input and float value for
349
+ contamination.
350
+
351
+ Non-regression test for:
352
+ https://github.com/scikit-learn/scikit-learn/issues/27626
353
+ """
354
+ X, _ = make_classification(n_samples=50, n_features=4, random_state=0)
355
+ X = sparse_container(X)
356
+ X.sort_indices()
357
+ contamination = 0.1
358
+ iforest = IsolationForest(
359
+ n_estimators=5, contamination=contamination, random_state=0
360
+ ).fit(X)
361
+
362
+ X_decision = iforest.decision_function(X)
363
+ assert (X_decision < 0).sum() / X.shape[0] == pytest.approx(contamination)
364
+
365
+
366
+ @pytest.mark.parametrize("n_jobs", [1, 2])
367
+ @pytest.mark.parametrize("contamination", [0.25, "auto"])
368
+ def test_iforest_predict_parallel(global_random_seed, contamination, n_jobs):
369
+ """Check that `IsolationForest.predict` is parallelized."""
370
+ # toy sample (the last two samples are outliers)
371
+ X = [[-2, -1], [-1, -1], [-1, -2], [1, 1], [1, 2], [2, 1], [7, 4], [-5, 9]]
372
+
373
+ # Test IsolationForest
374
+ clf = IsolationForest(
375
+ random_state=global_random_seed, contamination=contamination, n_jobs=None
376
+ )
377
+ clf.fit(X)
378
+ decision_func = -clf.decision_function(X)
379
+ pred = clf.predict(X)
380
+
381
+ # assert detect outliers:
382
+ assert np.min(decision_func[-2:]) > np.max(decision_func[:-2])
383
+ assert_array_equal(pred, 6 * [1] + 2 * [-1])
384
+
385
+ clf_parallel = IsolationForest(
386
+ random_state=global_random_seed, contamination=contamination, n_jobs=-1
387
+ )
388
+ clf_parallel.fit(X)
389
+ with parallel_backend("threading", n_jobs=n_jobs):
390
+ pred_paralell = clf_parallel.predict(X)
391
+
392
+ # assert the same results as non-parallel
393
+ assert_array_equal(pred, pred_paralell)
openflamingo/lib/python3.10/site-packages/sklearn/ensemble/tests/test_stacking.py ADDED
@@ -0,0 +1,1019 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ """Test the stacking classifier and regressor."""
2
+
3
+ # Authors: The scikit-learn developers
4
+ # SPDX-License-Identifier: BSD-3-Clause
5
+
6
+ import re
7
+ from unittest.mock import Mock
8
+
9
+ import numpy as np
10
+ import pytest
11
+ from numpy.testing import assert_array_equal
12
+ from scipy import sparse
13
+
14
+ from sklearn import config_context
15
+ from sklearn.base import BaseEstimator, ClassifierMixin, RegressorMixin, clone
16
+ from sklearn.datasets import (
17
+ load_breast_cancer,
18
+ load_diabetes,
19
+ load_iris,
20
+ make_classification,
21
+ make_multilabel_classification,
22
+ make_regression,
23
+ )
24
+ from sklearn.dummy import DummyClassifier, DummyRegressor
25
+ from sklearn.ensemble import (
26
+ RandomForestClassifier,
27
+ RandomForestRegressor,
28
+ StackingClassifier,
29
+ StackingRegressor,
30
+ )
31
+ from sklearn.exceptions import ConvergenceWarning, NotFittedError
32
+ from sklearn.linear_model import (
33
+ LinearRegression,
34
+ LogisticRegression,
35
+ Ridge,
36
+ RidgeClassifier,
37
+ )
38
+ from sklearn.model_selection import KFold, StratifiedKFold, train_test_split
39
+ from sklearn.neighbors import KNeighborsClassifier
40
+ from sklearn.neural_network import MLPClassifier
41
+ from sklearn.preprocessing import scale
42
+ from sklearn.svm import SVC, LinearSVC, LinearSVR
43
+ from sklearn.tests.metadata_routing_common import (
44
+ ConsumingClassifier,
45
+ ConsumingRegressor,
46
+ _Registry,
47
+ check_recorded_metadata,
48
+ )
49
+ from sklearn.utils._mocking import CheckingClassifier
50
+ from sklearn.utils._testing import (
51
+ assert_allclose,
52
+ assert_allclose_dense_sparse,
53
+ ignore_warnings,
54
+ )
55
+ from sklearn.utils.fixes import COO_CONTAINERS, CSC_CONTAINERS, CSR_CONTAINERS
56
+
57
+ diabetes = load_diabetes()
58
+ X_diabetes, y_diabetes = diabetes.data, diabetes.target
59
+ iris = load_iris()
60
+ X_iris, y_iris = iris.data, iris.target
61
+ X_multilabel, y_multilabel = make_multilabel_classification(
62
+ n_classes=3, random_state=42
63
+ )
64
+ X_binary, y_binary = make_classification(n_classes=2, random_state=42)
65
+
66
+
67
+ @pytest.mark.parametrize(
68
+ "cv", [3, StratifiedKFold(n_splits=3, shuffle=True, random_state=42)]
69
+ )
70
+ @pytest.mark.parametrize(
71
+ "final_estimator", [None, RandomForestClassifier(random_state=42)]
72
+ )
73
+ @pytest.mark.parametrize("passthrough", [False, True])
74
+ def test_stacking_classifier_iris(cv, final_estimator, passthrough):
75
+ # prescale the data to avoid convergence warning without using a pipeline
76
+ # for later assert
77
+ X_train, X_test, y_train, y_test = train_test_split(
78
+ scale(X_iris), y_iris, stratify=y_iris, random_state=42
79
+ )
80
+ estimators = [("lr", LogisticRegression()), ("svc", LinearSVC())]
81
+ clf = StackingClassifier(
82
+ estimators=estimators,
83
+ final_estimator=final_estimator,
84
+ cv=cv,
85
+ passthrough=passthrough,
86
+ )
87
+ clf.fit(X_train, y_train)
88
+ clf.predict(X_test)
89
+ clf.predict_proba(X_test)
90
+ assert clf.score(X_test, y_test) > 0.8
91
+
92
+ X_trans = clf.transform(X_test)
93
+ expected_column_count = 10 if passthrough else 6
94
+ assert X_trans.shape[1] == expected_column_count
95
+ if passthrough:
96
+ assert_allclose(X_test, X_trans[:, -4:])
97
+
98
+ clf.set_params(lr="drop")
99
+ clf.fit(X_train, y_train)
100
+ clf.predict(X_test)
101
+ clf.predict_proba(X_test)
102
+ if final_estimator is None:
103
+ # LogisticRegression has decision_function method
104
+ clf.decision_function(X_test)
105
+
106
+ X_trans = clf.transform(X_test)
107
+ expected_column_count_drop = 7 if passthrough else 3
108
+ assert X_trans.shape[1] == expected_column_count_drop
109
+ if passthrough:
110
+ assert_allclose(X_test, X_trans[:, -4:])
111
+
112
+
113
+ def test_stacking_classifier_drop_column_binary_classification():
114
+ # check that a column is dropped in binary classification
115
+ X, y = load_breast_cancer(return_X_y=True)
116
+ X_train, X_test, y_train, _ = train_test_split(
117
+ scale(X), y, stratify=y, random_state=42
118
+ )
119
+
120
+ # both classifiers implement 'predict_proba' and will both drop one column
121
+ estimators = [
122
+ ("lr", LogisticRegression()),
123
+ ("rf", RandomForestClassifier(random_state=42)),
124
+ ]
125
+ clf = StackingClassifier(estimators=estimators, cv=3)
126
+
127
+ clf.fit(X_train, y_train)
128
+ X_trans = clf.transform(X_test)
129
+ assert X_trans.shape[1] == 2
130
+
131
+ # LinearSVC does not implement 'predict_proba' and will not drop one column
132
+ estimators = [("lr", LogisticRegression()), ("svc", LinearSVC())]
133
+ clf.set_params(estimators=estimators)
134
+
135
+ clf.fit(X_train, y_train)
136
+ X_trans = clf.transform(X_test)
137
+ assert X_trans.shape[1] == 2
138
+
139
+
140
+ def test_stacking_classifier_drop_estimator():
141
+ # prescale the data to avoid convergence warning without using a pipeline
142
+ # for later assert
143
+ X_train, X_test, y_train, _ = train_test_split(
144
+ scale(X_iris), y_iris, stratify=y_iris, random_state=42
145
+ )
146
+ estimators = [("lr", "drop"), ("svc", LinearSVC(random_state=0))]
147
+ rf = RandomForestClassifier(n_estimators=10, random_state=42)
148
+ clf = StackingClassifier(
149
+ estimators=[("svc", LinearSVC(random_state=0))],
150
+ final_estimator=rf,
151
+ cv=5,
152
+ )
153
+ clf_drop = StackingClassifier(estimators=estimators, final_estimator=rf, cv=5)
154
+
155
+ clf.fit(X_train, y_train)
156
+ clf_drop.fit(X_train, y_train)
157
+ assert_allclose(clf.predict(X_test), clf_drop.predict(X_test))
158
+ assert_allclose(clf.predict_proba(X_test), clf_drop.predict_proba(X_test))
159
+ assert_allclose(clf.transform(X_test), clf_drop.transform(X_test))
160
+
161
+
162
+ def test_stacking_regressor_drop_estimator():
163
+ # prescale the data to avoid convergence warning without using a pipeline
164
+ # for later assert
165
+ X_train, X_test, y_train, _ = train_test_split(
166
+ scale(X_diabetes), y_diabetes, random_state=42
167
+ )
168
+ estimators = [("lr", "drop"), ("svr", LinearSVR(random_state=0))]
169
+ rf = RandomForestRegressor(n_estimators=10, random_state=42)
170
+ reg = StackingRegressor(
171
+ estimators=[("svr", LinearSVR(random_state=0))],
172
+ final_estimator=rf,
173
+ cv=5,
174
+ )
175
+ reg_drop = StackingRegressor(estimators=estimators, final_estimator=rf, cv=5)
176
+
177
+ reg.fit(X_train, y_train)
178
+ reg_drop.fit(X_train, y_train)
179
+ assert_allclose(reg.predict(X_test), reg_drop.predict(X_test))
180
+ assert_allclose(reg.transform(X_test), reg_drop.transform(X_test))
181
+
182
+
183
+ @pytest.mark.parametrize("cv", [3, KFold(n_splits=3, shuffle=True, random_state=42)])
184
+ @pytest.mark.parametrize(
185
+ "final_estimator, predict_params",
186
+ [
187
+ (None, {}),
188
+ (RandomForestRegressor(random_state=42), {}),
189
+ (DummyRegressor(), {"return_std": True}),
190
+ ],
191
+ )
192
+ @pytest.mark.parametrize("passthrough", [False, True])
193
+ def test_stacking_regressor_diabetes(cv, final_estimator, predict_params, passthrough):
194
+ # prescale the data to avoid convergence warning without using a pipeline
195
+ # for later assert
196
+ X_train, X_test, y_train, _ = train_test_split(
197
+ scale(X_diabetes), y_diabetes, random_state=42
198
+ )
199
+ estimators = [("lr", LinearRegression()), ("svr", LinearSVR())]
200
+ reg = StackingRegressor(
201
+ estimators=estimators,
202
+ final_estimator=final_estimator,
203
+ cv=cv,
204
+ passthrough=passthrough,
205
+ )
206
+ reg.fit(X_train, y_train)
207
+ result = reg.predict(X_test, **predict_params)
208
+ expected_result_length = 2 if predict_params else 1
209
+ if predict_params:
210
+ assert len(result) == expected_result_length
211
+
212
+ X_trans = reg.transform(X_test)
213
+ expected_column_count = 12 if passthrough else 2
214
+ assert X_trans.shape[1] == expected_column_count
215
+ if passthrough:
216
+ assert_allclose(X_test, X_trans[:, -10:])
217
+
218
+ reg.set_params(lr="drop")
219
+ reg.fit(X_train, y_train)
220
+ reg.predict(X_test)
221
+
222
+ X_trans = reg.transform(X_test)
223
+ expected_column_count_drop = 11 if passthrough else 1
224
+ assert X_trans.shape[1] == expected_column_count_drop
225
+ if passthrough:
226
+ assert_allclose(X_test, X_trans[:, -10:])
227
+
228
+
229
+ @pytest.mark.parametrize(
230
+ "sparse_container", COO_CONTAINERS + CSC_CONTAINERS + CSR_CONTAINERS
231
+ )
232
+ def test_stacking_regressor_sparse_passthrough(sparse_container):
233
+ # Check passthrough behavior on a sparse X matrix
234
+ X_train, X_test, y_train, _ = train_test_split(
235
+ sparse_container(scale(X_diabetes)), y_diabetes, random_state=42
236
+ )
237
+ estimators = [("lr", LinearRegression()), ("svr", LinearSVR())]
238
+ rf = RandomForestRegressor(n_estimators=10, random_state=42)
239
+ clf = StackingRegressor(
240
+ estimators=estimators, final_estimator=rf, cv=5, passthrough=True
241
+ )
242
+ clf.fit(X_train, y_train)
243
+ X_trans = clf.transform(X_test)
244
+ assert_allclose_dense_sparse(X_test, X_trans[:, -10:])
245
+ assert sparse.issparse(X_trans)
246
+ assert X_test.format == X_trans.format
247
+
248
+
249
+ @pytest.mark.parametrize(
250
+ "sparse_container", COO_CONTAINERS + CSC_CONTAINERS + CSR_CONTAINERS
251
+ )
252
+ def test_stacking_classifier_sparse_passthrough(sparse_container):
253
+ # Check passthrough behavior on a sparse X matrix
254
+ X_train, X_test, y_train, _ = train_test_split(
255
+ sparse_container(scale(X_iris)), y_iris, random_state=42
256
+ )
257
+ estimators = [("lr", LogisticRegression()), ("svc", LinearSVC())]
258
+ rf = RandomForestClassifier(n_estimators=10, random_state=42)
259
+ clf = StackingClassifier(
260
+ estimators=estimators, final_estimator=rf, cv=5, passthrough=True
261
+ )
262
+ clf.fit(X_train, y_train)
263
+ X_trans = clf.transform(X_test)
264
+ assert_allclose_dense_sparse(X_test, X_trans[:, -4:])
265
+ assert sparse.issparse(X_trans)
266
+ assert X_test.format == X_trans.format
267
+
268
+
269
+ def test_stacking_classifier_drop_binary_prob():
270
+ # check that classifier will drop one of the probability column for
271
+ # binary classification problem
272
+
273
+ # Select only the 2 first classes
274
+ X_, y_ = scale(X_iris[:100]), y_iris[:100]
275
+
276
+ estimators = [("lr", LogisticRegression()), ("rf", RandomForestClassifier())]
277
+ clf = StackingClassifier(estimators=estimators)
278
+ clf.fit(X_, y_)
279
+ X_meta = clf.transform(X_)
280
+ assert X_meta.shape[1] == 2
281
+
282
+
283
+ class NoWeightRegressor(RegressorMixin, BaseEstimator):
284
+ def fit(self, X, y):
285
+ self.reg = DummyRegressor()
286
+ return self.reg.fit(X, y)
287
+
288
+ def predict(self, X):
289
+ return np.ones(X.shape[0])
290
+
291
+
292
+ class NoWeightClassifier(ClassifierMixin, BaseEstimator):
293
+ def fit(self, X, y):
294
+ self.clf = DummyClassifier(strategy="stratified")
295
+ return self.clf.fit(X, y)
296
+
297
+
298
+ @pytest.mark.parametrize(
299
+ "y, params, type_err, msg_err",
300
+ [
301
+ (y_iris, {"estimators": []}, ValueError, "Invalid 'estimators' attribute,"),
302
+ (
303
+ y_iris,
304
+ {
305
+ "estimators": [
306
+ ("lr", LogisticRegression()),
307
+ ("svm", SVC(max_iter=50_000)),
308
+ ],
309
+ "stack_method": "predict_proba",
310
+ },
311
+ ValueError,
312
+ "does not implement the method predict_proba",
313
+ ),
314
+ (
315
+ y_iris,
316
+ {
317
+ "estimators": [
318
+ ("lr", LogisticRegression()),
319
+ ("cor", NoWeightClassifier()),
320
+ ]
321
+ },
322
+ TypeError,
323
+ "does not support sample weight",
324
+ ),
325
+ (
326
+ y_iris,
327
+ {
328
+ "estimators": [
329
+ ("lr", LogisticRegression()),
330
+ ("cor", LinearSVC(max_iter=50_000)),
331
+ ],
332
+ "final_estimator": NoWeightClassifier(),
333
+ },
334
+ TypeError,
335
+ "does not support sample weight",
336
+ ),
337
+ ],
338
+ )
339
+ def test_stacking_classifier_error(y, params, type_err, msg_err):
340
+ with pytest.raises(type_err, match=msg_err):
341
+ clf = StackingClassifier(**params, cv=3)
342
+ clf.fit(scale(X_iris), y, sample_weight=np.ones(X_iris.shape[0]))
343
+
344
+
345
+ @pytest.mark.parametrize(
346
+ "y, params, type_err, msg_err",
347
+ [
348
+ (y_diabetes, {"estimators": []}, ValueError, "Invalid 'estimators' attribute,"),
349
+ (
350
+ y_diabetes,
351
+ {"estimators": [("lr", LinearRegression()), ("cor", NoWeightRegressor())]},
352
+ TypeError,
353
+ "does not support sample weight",
354
+ ),
355
+ (
356
+ y_diabetes,
357
+ {
358
+ "estimators": [
359
+ ("lr", LinearRegression()),
360
+ ("cor", LinearSVR()),
361
+ ],
362
+ "final_estimator": NoWeightRegressor(),
363
+ },
364
+ TypeError,
365
+ "does not support sample weight",
366
+ ),
367
+ ],
368
+ )
369
+ def test_stacking_regressor_error(y, params, type_err, msg_err):
370
+ with pytest.raises(type_err, match=msg_err):
371
+ reg = StackingRegressor(**params, cv=3)
372
+ reg.fit(scale(X_diabetes), y, sample_weight=np.ones(X_diabetes.shape[0]))
373
+
374
+
375
+ @pytest.mark.parametrize(
376
+ "estimator, X, y",
377
+ [
378
+ (
379
+ StackingClassifier(
380
+ estimators=[
381
+ ("lr", LogisticRegression(random_state=0)),
382
+ ("svm", LinearSVC(random_state=0)),
383
+ ]
384
+ ),
385
+ X_iris[:100],
386
+ y_iris[:100],
387
+ ), # keep only classes 0 and 1
388
+ (
389
+ StackingRegressor(
390
+ estimators=[
391
+ ("lr", LinearRegression()),
392
+ ("svm", LinearSVR(random_state=0)),
393
+ ]
394
+ ),
395
+ X_diabetes,
396
+ y_diabetes,
397
+ ),
398
+ ],
399
+ ids=["StackingClassifier", "StackingRegressor"],
400
+ )
401
+ def test_stacking_randomness(estimator, X, y):
402
+ # checking that fixing the random state of the CV will lead to the same
403
+ # results
404
+ estimator_full = clone(estimator)
405
+ estimator_full.set_params(
406
+ cv=KFold(shuffle=True, random_state=np.random.RandomState(0))
407
+ )
408
+
409
+ estimator_drop = clone(estimator)
410
+ estimator_drop.set_params(lr="drop")
411
+ estimator_drop.set_params(
412
+ cv=KFold(shuffle=True, random_state=np.random.RandomState(0))
413
+ )
414
+
415
+ assert_allclose(
416
+ estimator_full.fit(X, y).transform(X)[:, 1:],
417
+ estimator_drop.fit(X, y).transform(X),
418
+ )
419
+
420
+
421
+ def test_stacking_classifier_stratify_default():
422
+ # check that we stratify the classes for the default CV
423
+ clf = StackingClassifier(
424
+ estimators=[
425
+ ("lr", LogisticRegression(max_iter=10_000)),
426
+ ("svm", LinearSVC(max_iter=10_000)),
427
+ ]
428
+ )
429
+ # since iris is not shuffled, a simple k-fold would not contain the
430
+ # 3 classes during training
431
+ clf.fit(X_iris, y_iris)
432
+
433
+
434
+ @pytest.mark.parametrize(
435
+ "stacker, X, y",
436
+ [
437
+ (
438
+ StackingClassifier(
439
+ estimators=[
440
+ ("lr", LogisticRegression()),
441
+ ("svm", LinearSVC(random_state=42)),
442
+ ],
443
+ final_estimator=LogisticRegression(),
444
+ cv=KFold(shuffle=True, random_state=42),
445
+ ),
446
+ *load_breast_cancer(return_X_y=True),
447
+ ),
448
+ (
449
+ StackingRegressor(
450
+ estimators=[
451
+ ("lr", LinearRegression()),
452
+ ("svm", LinearSVR(random_state=42)),
453
+ ],
454
+ final_estimator=LinearRegression(),
455
+ cv=KFold(shuffle=True, random_state=42),
456
+ ),
457
+ X_diabetes,
458
+ y_diabetes,
459
+ ),
460
+ ],
461
+ ids=["StackingClassifier", "StackingRegressor"],
462
+ )
463
+ def test_stacking_with_sample_weight(stacker, X, y):
464
+ # check that sample weights has an influence on the fitting
465
+ # note: ConvergenceWarning are catch since we are not worrying about the
466
+ # convergence here
467
+ n_half_samples = len(y) // 2
468
+ total_sample_weight = np.array(
469
+ [0.1] * n_half_samples + [0.9] * (len(y) - n_half_samples)
470
+ )
471
+ X_train, X_test, y_train, _, sample_weight_train, _ = train_test_split(
472
+ X, y, total_sample_weight, random_state=42
473
+ )
474
+
475
+ with ignore_warnings(category=ConvergenceWarning):
476
+ stacker.fit(X_train, y_train)
477
+ y_pred_no_weight = stacker.predict(X_test)
478
+
479
+ with ignore_warnings(category=ConvergenceWarning):
480
+ stacker.fit(X_train, y_train, sample_weight=np.ones(y_train.shape))
481
+ y_pred_unit_weight = stacker.predict(X_test)
482
+
483
+ assert_allclose(y_pred_no_weight, y_pred_unit_weight)
484
+
485
+ with ignore_warnings(category=ConvergenceWarning):
486
+ stacker.fit(X_train, y_train, sample_weight=sample_weight_train)
487
+ y_pred_biased = stacker.predict(X_test)
488
+
489
+ assert np.abs(y_pred_no_weight - y_pred_biased).sum() > 0
490
+
491
+
492
+ def test_stacking_classifier_sample_weight_fit_param():
493
+ # check sample_weight is passed to all invocations of fit
494
+ stacker = StackingClassifier(
495
+ estimators=[("lr", CheckingClassifier(expected_sample_weight=True))],
496
+ final_estimator=CheckingClassifier(expected_sample_weight=True),
497
+ )
498
+ stacker.fit(X_iris, y_iris, sample_weight=np.ones(X_iris.shape[0]))
499
+
500
+
501
+ @pytest.mark.filterwarnings("ignore::sklearn.exceptions.ConvergenceWarning")
502
+ @pytest.mark.parametrize(
503
+ "stacker, X, y",
504
+ [
505
+ (
506
+ StackingClassifier(
507
+ estimators=[
508
+ ("lr", LogisticRegression()),
509
+ ("svm", LinearSVC(random_state=42)),
510
+ ],
511
+ final_estimator=LogisticRegression(),
512
+ ),
513
+ *load_breast_cancer(return_X_y=True),
514
+ ),
515
+ (
516
+ StackingRegressor(
517
+ estimators=[
518
+ ("lr", LinearRegression()),
519
+ ("svm", LinearSVR(random_state=42)),
520
+ ],
521
+ final_estimator=LinearRegression(),
522
+ ),
523
+ X_diabetes,
524
+ y_diabetes,
525
+ ),
526
+ ],
527
+ ids=["StackingClassifier", "StackingRegressor"],
528
+ )
529
+ def test_stacking_cv_influence(stacker, X, y):
530
+ # check that the stacking affects the fit of the final estimator but not
531
+ # the fit of the base estimators
532
+ # note: ConvergenceWarning are catch since we are not worrying about the
533
+ # convergence here
534
+ stacker_cv_3 = clone(stacker)
535
+ stacker_cv_5 = clone(stacker)
536
+
537
+ stacker_cv_3.set_params(cv=3)
538
+ stacker_cv_5.set_params(cv=5)
539
+
540
+ stacker_cv_3.fit(X, y)
541
+ stacker_cv_5.fit(X, y)
542
+
543
+ # the base estimators should be identical
544
+ for est_cv_3, est_cv_5 in zip(stacker_cv_3.estimators_, stacker_cv_5.estimators_):
545
+ assert_allclose(est_cv_3.coef_, est_cv_5.coef_)
546
+
547
+ # the final estimator should be different
548
+ with pytest.raises(AssertionError, match="Not equal"):
549
+ assert_allclose(
550
+ stacker_cv_3.final_estimator_.coef_, stacker_cv_5.final_estimator_.coef_
551
+ )
552
+
553
+
554
+ @pytest.mark.parametrize(
555
+ "Stacker, Estimator, stack_method, final_estimator, X, y",
556
+ [
557
+ (
558
+ StackingClassifier,
559
+ DummyClassifier,
560
+ "predict_proba",
561
+ LogisticRegression(random_state=42),
562
+ X_iris,
563
+ y_iris,
564
+ ),
565
+ (
566
+ StackingRegressor,
567
+ DummyRegressor,
568
+ "predict",
569
+ LinearRegression(),
570
+ X_diabetes,
571
+ y_diabetes,
572
+ ),
573
+ ],
574
+ )
575
+ def test_stacking_prefit(Stacker, Estimator, stack_method, final_estimator, X, y):
576
+ """Check the behaviour of stacking when `cv='prefit'`"""
577
+ X_train1, X_train2, y_train1, y_train2 = train_test_split(
578
+ X, y, random_state=42, test_size=0.5
579
+ )
580
+ estimators = [
581
+ ("d0", Estimator().fit(X_train1, y_train1)),
582
+ ("d1", Estimator().fit(X_train1, y_train1)),
583
+ ]
584
+
585
+ # mock out fit and stack_method to be asserted later
586
+ for _, estimator in estimators:
587
+ estimator.fit = Mock(name="fit")
588
+ stack_func = getattr(estimator, stack_method)
589
+ predict_method_mocked = Mock(side_effect=stack_func)
590
+ # Mocking a method will not provide a `__name__` while Python methods
591
+ # do and we are using it in `_get_response_method`.
592
+ predict_method_mocked.__name__ = stack_method
593
+ setattr(estimator, stack_method, predict_method_mocked)
594
+
595
+ stacker = Stacker(
596
+ estimators=estimators, cv="prefit", final_estimator=final_estimator
597
+ )
598
+ stacker.fit(X_train2, y_train2)
599
+
600
+ assert stacker.estimators_ == [estimator for _, estimator in estimators]
601
+ # fit was not called again
602
+ assert all(estimator.fit.call_count == 0 for estimator in stacker.estimators_)
603
+
604
+ # stack method is called with the proper inputs
605
+ for estimator in stacker.estimators_:
606
+ stack_func_mock = getattr(estimator, stack_method)
607
+ stack_func_mock.assert_called_with(X_train2)
608
+
609
+
610
+ @pytest.mark.parametrize(
611
+ "stacker, X, y",
612
+ [
613
+ (
614
+ StackingClassifier(
615
+ estimators=[("lr", LogisticRegression()), ("svm", SVC())],
616
+ cv="prefit",
617
+ ),
618
+ X_iris,
619
+ y_iris,
620
+ ),
621
+ (
622
+ StackingRegressor(
623
+ estimators=[
624
+ ("lr", LinearRegression()),
625
+ ("svm", LinearSVR()),
626
+ ],
627
+ cv="prefit",
628
+ ),
629
+ X_diabetes,
630
+ y_diabetes,
631
+ ),
632
+ ],
633
+ )
634
+ def test_stacking_prefit_error(stacker, X, y):
635
+ # check that NotFittedError is raised
636
+ # if base estimators are not fitted when cv="prefit"
637
+ with pytest.raises(NotFittedError):
638
+ stacker.fit(X, y)
639
+
640
+
641
+ @pytest.mark.parametrize(
642
+ "make_dataset, Stacking, Estimator",
643
+ [
644
+ (make_classification, StackingClassifier, LogisticRegression),
645
+ (make_regression, StackingRegressor, LinearRegression),
646
+ ],
647
+ )
648
+ def test_stacking_without_n_features_in(make_dataset, Stacking, Estimator):
649
+ # Stacking supports estimators without `n_features_in_`. Regression test
650
+ # for #17353
651
+
652
+ class MyEstimator(Estimator):
653
+ """Estimator without n_features_in_"""
654
+
655
+ def fit(self, X, y):
656
+ super().fit(X, y)
657
+ del self.n_features_in_
658
+
659
+ X, y = make_dataset(random_state=0, n_samples=100)
660
+ stacker = Stacking(estimators=[("lr", MyEstimator())])
661
+
662
+ msg = f"{Stacking.__name__} object has no attribute n_features_in_"
663
+ with pytest.raises(AttributeError, match=msg):
664
+ stacker.n_features_in_
665
+
666
+ # Does not raise
667
+ stacker.fit(X, y)
668
+
669
+ msg = "'MyEstimator' object has no attribute 'n_features_in_'"
670
+ with pytest.raises(AttributeError, match=msg):
671
+ stacker.n_features_in_
672
+
673
+
674
+ @pytest.mark.parametrize(
675
+ "estimator",
676
+ [
677
+ # output a 2D array of the probability of the positive class for each output
678
+ MLPClassifier(random_state=42),
679
+ # output a list of 2D array containing the probability of each class
680
+ # for each output
681
+ RandomForestClassifier(random_state=42),
682
+ ],
683
+ ids=["MLPClassifier", "RandomForestClassifier"],
684
+ )
685
+ def test_stacking_classifier_multilabel_predict_proba(estimator):
686
+ """Check the behaviour for the multilabel classification case and the
687
+ `predict_proba` stacking method.
688
+
689
+ Estimators are not consistent with the output arrays and we need to ensure that
690
+ we handle all cases.
691
+ """
692
+ X_train, X_test, y_train, y_test = train_test_split(
693
+ X_multilabel, y_multilabel, stratify=y_multilabel, random_state=42
694
+ )
695
+ n_outputs = 3
696
+
697
+ estimators = [("est", estimator)]
698
+ stacker = StackingClassifier(
699
+ estimators=estimators,
700
+ final_estimator=KNeighborsClassifier(),
701
+ stack_method="predict_proba",
702
+ ).fit(X_train, y_train)
703
+
704
+ X_trans = stacker.transform(X_test)
705
+ assert X_trans.shape == (X_test.shape[0], n_outputs)
706
+ # we should not have any collinear classes and thus nothing should sum to 1
707
+ assert not any(np.isclose(X_trans.sum(axis=1), 1.0))
708
+
709
+ y_pred = stacker.predict(X_test)
710
+ assert y_pred.shape == y_test.shape
711
+
712
+
713
+ def test_stacking_classifier_multilabel_decision_function():
714
+ """Check the behaviour for the multilabel classification case and the
715
+ `decision_function` stacking method. Only `RidgeClassifier` supports this
716
+ case.
717
+ """
718
+ X_train, X_test, y_train, y_test = train_test_split(
719
+ X_multilabel, y_multilabel, stratify=y_multilabel, random_state=42
720
+ )
721
+ n_outputs = 3
722
+
723
+ estimators = [("est", RidgeClassifier())]
724
+ stacker = StackingClassifier(
725
+ estimators=estimators,
726
+ final_estimator=KNeighborsClassifier(),
727
+ stack_method="decision_function",
728
+ ).fit(X_train, y_train)
729
+
730
+ X_trans = stacker.transform(X_test)
731
+ assert X_trans.shape == (X_test.shape[0], n_outputs)
732
+
733
+ y_pred = stacker.predict(X_test)
734
+ assert y_pred.shape == y_test.shape
735
+
736
+
737
+ @pytest.mark.parametrize("stack_method", ["auto", "predict"])
738
+ @pytest.mark.parametrize("passthrough", [False, True])
739
+ def test_stacking_classifier_multilabel_auto_predict(stack_method, passthrough):
740
+ """Check the behaviour for the multilabel classification case for stack methods
741
+ supported for all estimators or automatically picked up.
742
+ """
743
+ X_train, X_test, y_train, y_test = train_test_split(
744
+ X_multilabel, y_multilabel, stratify=y_multilabel, random_state=42
745
+ )
746
+ y_train_before_fit = y_train.copy()
747
+ n_outputs = 3
748
+
749
+ estimators = [
750
+ ("mlp", MLPClassifier(random_state=42)),
751
+ ("rf", RandomForestClassifier(random_state=42)),
752
+ ("ridge", RidgeClassifier()),
753
+ ]
754
+ final_estimator = KNeighborsClassifier()
755
+
756
+ clf = StackingClassifier(
757
+ estimators=estimators,
758
+ final_estimator=final_estimator,
759
+ passthrough=passthrough,
760
+ stack_method=stack_method,
761
+ ).fit(X_train, y_train)
762
+
763
+ # make sure we don't change `y_train` inplace
764
+ assert_array_equal(y_train_before_fit, y_train)
765
+
766
+ y_pred = clf.predict(X_test)
767
+ assert y_pred.shape == y_test.shape
768
+
769
+ if stack_method == "auto":
770
+ expected_stack_methods = ["predict_proba", "predict_proba", "decision_function"]
771
+ else:
772
+ expected_stack_methods = ["predict"] * len(estimators)
773
+ assert clf.stack_method_ == expected_stack_methods
774
+
775
+ n_features_X_trans = n_outputs * len(estimators)
776
+ if passthrough:
777
+ n_features_X_trans += X_train.shape[1]
778
+ X_trans = clf.transform(X_test)
779
+ assert X_trans.shape == (X_test.shape[0], n_features_X_trans)
780
+
781
+ assert_array_equal(clf.classes_, [np.array([0, 1])] * n_outputs)
782
+
783
+
784
+ @pytest.mark.parametrize(
785
+ "stacker, feature_names, X, y, expected_names",
786
+ [
787
+ (
788
+ StackingClassifier(
789
+ estimators=[
790
+ ("lr", LogisticRegression(random_state=0)),
791
+ ("svm", LinearSVC(random_state=0)),
792
+ ]
793
+ ),
794
+ iris.feature_names,
795
+ X_iris,
796
+ y_iris,
797
+ [
798
+ "stackingclassifier_lr0",
799
+ "stackingclassifier_lr1",
800
+ "stackingclassifier_lr2",
801
+ "stackingclassifier_svm0",
802
+ "stackingclassifier_svm1",
803
+ "stackingclassifier_svm2",
804
+ ],
805
+ ),
806
+ (
807
+ StackingClassifier(
808
+ estimators=[
809
+ ("lr", LogisticRegression(random_state=0)),
810
+ ("other", "drop"),
811
+ ("svm", LinearSVC(random_state=0)),
812
+ ]
813
+ ),
814
+ iris.feature_names,
815
+ X_iris[:100],
816
+ y_iris[:100], # keep only classes 0 and 1
817
+ [
818
+ "stackingclassifier_lr",
819
+ "stackingclassifier_svm",
820
+ ],
821
+ ),
822
+ (
823
+ StackingRegressor(
824
+ estimators=[
825
+ ("lr", LinearRegression()),
826
+ ("svm", LinearSVR(random_state=0)),
827
+ ]
828
+ ),
829
+ diabetes.feature_names,
830
+ X_diabetes,
831
+ y_diabetes,
832
+ [
833
+ "stackingregressor_lr",
834
+ "stackingregressor_svm",
835
+ ],
836
+ ),
837
+ ],
838
+ ids=[
839
+ "StackingClassifier_multiclass",
840
+ "StackingClassifier_binary",
841
+ "StackingRegressor",
842
+ ],
843
+ )
844
+ @pytest.mark.parametrize("passthrough", [True, False])
845
+ def test_get_feature_names_out(
846
+ stacker, feature_names, X, y, expected_names, passthrough
847
+ ):
848
+ """Check get_feature_names_out works for stacking."""
849
+
850
+ stacker.set_params(passthrough=passthrough)
851
+ stacker.fit(scale(X), y)
852
+
853
+ if passthrough:
854
+ expected_names = np.concatenate((expected_names, feature_names))
855
+
856
+ names_out = stacker.get_feature_names_out(feature_names)
857
+ assert_array_equal(names_out, expected_names)
858
+
859
+
860
+ def test_stacking_classifier_base_regressor():
861
+ """Check that a regressor can be used as the first layer in `StackingClassifier`."""
862
+ X_train, X_test, y_train, y_test = train_test_split(
863
+ scale(X_iris), y_iris, stratify=y_iris, random_state=42
864
+ )
865
+ clf = StackingClassifier(estimators=[("ridge", Ridge())])
866
+ clf.fit(X_train, y_train)
867
+ clf.predict(X_test)
868
+ clf.predict_proba(X_test)
869
+ assert clf.score(X_test, y_test) > 0.8
870
+
871
+
872
+ def test_stacking_final_estimator_attribute_error():
873
+ """Check that we raise the proper AttributeError when the final estimator
874
+ does not implement the `decision_function` method, which is decorated with
875
+ `available_if`.
876
+
877
+ Non-regression test for:
878
+ https://github.com/scikit-learn/scikit-learn/issues/28108
879
+ """
880
+ X, y = make_classification(random_state=42)
881
+
882
+ estimators = [
883
+ ("lr", LogisticRegression()),
884
+ ("rf", RandomForestClassifier(n_estimators=2, random_state=42)),
885
+ ]
886
+ # RandomForestClassifier does not implement 'decision_function' and should raise
887
+ # an AttributeError
888
+ final_estimator = RandomForestClassifier(n_estimators=2, random_state=42)
889
+ clf = StackingClassifier(
890
+ estimators=estimators, final_estimator=final_estimator, cv=3
891
+ )
892
+
893
+ outer_msg = "This 'StackingClassifier' has no attribute 'decision_function'"
894
+ inner_msg = "'RandomForestClassifier' object has no attribute 'decision_function'"
895
+ with pytest.raises(AttributeError, match=outer_msg) as exec_info:
896
+ clf.fit(X, y).decision_function(X)
897
+ assert isinstance(exec_info.value.__cause__, AttributeError)
898
+ assert inner_msg in str(exec_info.value.__cause__)
899
+
900
+
901
+ # Metadata Routing Tests
902
+ # ======================
903
+
904
+
905
+ @pytest.mark.parametrize(
906
+ "Estimator, Child",
907
+ [
908
+ (StackingClassifier, ConsumingClassifier),
909
+ (StackingRegressor, ConsumingRegressor),
910
+ ],
911
+ )
912
+ def test_routing_passed_metadata_not_supported(Estimator, Child):
913
+ """Test that the right error message is raised when metadata is passed while
914
+ not supported when `enable_metadata_routing=False`."""
915
+
916
+ with pytest.raises(
917
+ ValueError, match="is only supported if enable_metadata_routing=True"
918
+ ):
919
+ Estimator(["clf", Child()]).fit(
920
+ X_iris, y_iris, sample_weight=[1, 1, 1, 1, 1], metadata="a"
921
+ )
922
+
923
+
924
+ @pytest.mark.parametrize(
925
+ "Estimator, Child",
926
+ [
927
+ (StackingClassifier, ConsumingClassifier),
928
+ (StackingRegressor, ConsumingRegressor),
929
+ ],
930
+ )
931
+ @config_context(enable_metadata_routing=True)
932
+ def test_get_metadata_routing_without_fit(Estimator, Child):
933
+ # Test that metadata_routing() doesn't raise when called before fit.
934
+ est = Estimator([("sub_est", Child())])
935
+ est.get_metadata_routing()
936
+
937
+
938
+ @pytest.mark.parametrize(
939
+ "Estimator, Child",
940
+ [
941
+ (StackingClassifier, ConsumingClassifier),
942
+ (StackingRegressor, ConsumingRegressor),
943
+ ],
944
+ )
945
+ @pytest.mark.parametrize(
946
+ "prop, prop_value", [("sample_weight", np.ones(X_iris.shape[0])), ("metadata", "a")]
947
+ )
948
+ @config_context(enable_metadata_routing=True)
949
+ def test_metadata_routing_for_stacking_estimators(Estimator, Child, prop, prop_value):
950
+ """Test that metadata is routed correctly for Stacking*."""
951
+
952
+ est = Estimator(
953
+ [
954
+ (
955
+ "sub_est1",
956
+ Child(registry=_Registry()).set_fit_request(**{prop: True}),
957
+ ),
958
+ (
959
+ "sub_est2",
960
+ Child(registry=_Registry()).set_fit_request(**{prop: True}),
961
+ ),
962
+ ],
963
+ final_estimator=Child(registry=_Registry()).set_predict_request(**{prop: True}),
964
+ )
965
+
966
+ est.fit(X_iris, y_iris, **{prop: prop_value})
967
+ est.fit_transform(X_iris, y_iris, **{prop: prop_value})
968
+
969
+ est.predict(X_iris, **{prop: prop_value})
970
+
971
+ for estimator in est.estimators:
972
+ # access sub-estimator in (name, est) with estimator[1]:
973
+ registry = estimator[1].registry
974
+ assert len(registry)
975
+ for sub_est in registry:
976
+ check_recorded_metadata(
977
+ obj=sub_est,
978
+ method="fit",
979
+ parent="fit",
980
+ split_params=(prop),
981
+ **{prop: prop_value},
982
+ )
983
+ # access final_estimator:
984
+ registry = est.final_estimator_.registry
985
+ assert len(registry)
986
+ check_recorded_metadata(
987
+ obj=registry[-1],
988
+ method="predict",
989
+ parent="predict",
990
+ split_params=(prop),
991
+ **{prop: prop_value},
992
+ )
993
+
994
+
995
+ @pytest.mark.parametrize(
996
+ "Estimator, Child",
997
+ [
998
+ (StackingClassifier, ConsumingClassifier),
999
+ (StackingRegressor, ConsumingRegressor),
1000
+ ],
1001
+ )
1002
+ @config_context(enable_metadata_routing=True)
1003
+ def test_metadata_routing_error_for_stacking_estimators(Estimator, Child):
1004
+ """Test that the right error is raised when metadata is not requested."""
1005
+ sample_weight, metadata = np.ones(X_iris.shape[0]), "a"
1006
+
1007
+ est = Estimator([("sub_est", Child())])
1008
+
1009
+ error_message = (
1010
+ "[sample_weight, metadata] are passed but are not explicitly set as requested"
1011
+ f" or not requested for {Child.__name__}.fit"
1012
+ )
1013
+
1014
+ with pytest.raises(ValueError, match=re.escape(error_message)):
1015
+ est.fit(X_iris, y_iris, sample_weight=sample_weight, metadata=metadata)
1016
+
1017
+
1018
+ # End of Metadata Routing Tests
1019
+ # =============================
openflamingo/lib/python3.10/site-packages/sklearn/ensemble/tests/test_voting.py ADDED
@@ -0,0 +1,787 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ """Testing for the VotingClassifier and VotingRegressor"""
2
+
3
+ import re
4
+
5
+ import numpy as np
6
+ import pytest
7
+
8
+ from sklearn import config_context, datasets
9
+ from sklearn.base import BaseEstimator, ClassifierMixin, clone
10
+ from sklearn.datasets import make_multilabel_classification
11
+ from sklearn.dummy import DummyRegressor
12
+ from sklearn.ensemble import (
13
+ RandomForestClassifier,
14
+ RandomForestRegressor,
15
+ VotingClassifier,
16
+ VotingRegressor,
17
+ )
18
+ from sklearn.exceptions import NotFittedError
19
+ from sklearn.linear_model import LinearRegression, LogisticRegression
20
+ from sklearn.model_selection import GridSearchCV, cross_val_score, train_test_split
21
+ from sklearn.multiclass import OneVsRestClassifier
22
+ from sklearn.naive_bayes import GaussianNB
23
+ from sklearn.neighbors import KNeighborsClassifier
24
+ from sklearn.preprocessing import StandardScaler
25
+ from sklearn.svm import SVC
26
+ from sklearn.tests.metadata_routing_common import (
27
+ ConsumingClassifier,
28
+ ConsumingRegressor,
29
+ _Registry,
30
+ check_recorded_metadata,
31
+ )
32
+ from sklearn.tree import DecisionTreeClassifier, DecisionTreeRegressor
33
+ from sklearn.utils._testing import (
34
+ assert_almost_equal,
35
+ assert_array_almost_equal,
36
+ assert_array_equal,
37
+ )
38
+
39
+ # Load datasets
40
+ iris = datasets.load_iris()
41
+ X, y = iris.data[:, 1:3], iris.target
42
+ # Scaled to solve ConvergenceWarning throw by Logistic Regression
43
+ X_scaled = StandardScaler().fit_transform(X)
44
+
45
+ X_r, y_r = datasets.load_diabetes(return_X_y=True)
46
+
47
+
48
+ @pytest.mark.parametrize(
49
+ "params, err_msg",
50
+ [
51
+ (
52
+ {"estimators": []},
53
+ "Invalid 'estimators' attribute, 'estimators' should be a non-empty list",
54
+ ),
55
+ (
56
+ {"estimators": [("lr", LogisticRegression())], "weights": [1, 2]},
57
+ "Number of `estimators` and weights must be equal",
58
+ ),
59
+ ],
60
+ )
61
+ def test_voting_classifier_estimator_init(params, err_msg):
62
+ ensemble = VotingClassifier(**params)
63
+ with pytest.raises(ValueError, match=err_msg):
64
+ ensemble.fit(X, y)
65
+
66
+
67
+ def test_predictproba_hardvoting():
68
+ eclf = VotingClassifier(
69
+ estimators=[("lr1", LogisticRegression()), ("lr2", LogisticRegression())],
70
+ voting="hard",
71
+ )
72
+
73
+ inner_msg = "predict_proba is not available when voting='hard'"
74
+ outer_msg = "'VotingClassifier' has no attribute 'predict_proba'"
75
+ with pytest.raises(AttributeError, match=outer_msg) as exec_info:
76
+ eclf.predict_proba
77
+ assert isinstance(exec_info.value.__cause__, AttributeError)
78
+ assert inner_msg in str(exec_info.value.__cause__)
79
+
80
+ assert not hasattr(eclf, "predict_proba")
81
+ eclf.fit(X_scaled, y)
82
+ assert not hasattr(eclf, "predict_proba")
83
+
84
+
85
+ def test_notfitted():
86
+ eclf = VotingClassifier(
87
+ estimators=[("lr1", LogisticRegression()), ("lr2", LogisticRegression())],
88
+ voting="soft",
89
+ )
90
+ ereg = VotingRegressor([("dr", DummyRegressor())])
91
+ msg = (
92
+ "This %s instance is not fitted yet. Call 'fit'"
93
+ " with appropriate arguments before using this estimator."
94
+ )
95
+ with pytest.raises(NotFittedError, match=msg % "VotingClassifier"):
96
+ eclf.predict(X)
97
+ with pytest.raises(NotFittedError, match=msg % "VotingClassifier"):
98
+ eclf.predict_proba(X)
99
+ with pytest.raises(NotFittedError, match=msg % "VotingClassifier"):
100
+ eclf.transform(X)
101
+ with pytest.raises(NotFittedError, match=msg % "VotingRegressor"):
102
+ ereg.predict(X_r)
103
+ with pytest.raises(NotFittedError, match=msg % "VotingRegressor"):
104
+ ereg.transform(X_r)
105
+
106
+
107
+ def test_majority_label_iris(global_random_seed):
108
+ """Check classification by majority label on dataset iris."""
109
+ clf1 = LogisticRegression(solver="liblinear", random_state=global_random_seed)
110
+ clf2 = RandomForestClassifier(n_estimators=10, random_state=global_random_seed)
111
+ clf3 = GaussianNB()
112
+ eclf = VotingClassifier(
113
+ estimators=[("lr", clf1), ("rf", clf2), ("gnb", clf3)], voting="hard"
114
+ )
115
+ scores = cross_val_score(eclf, X, y, scoring="accuracy")
116
+
117
+ assert scores.mean() >= 0.9
118
+
119
+
120
+ def test_tie_situation():
121
+ """Check voting classifier selects smaller class label in tie situation."""
122
+ clf1 = LogisticRegression(random_state=123, solver="liblinear")
123
+ clf2 = RandomForestClassifier(random_state=123)
124
+ eclf = VotingClassifier(estimators=[("lr", clf1), ("rf", clf2)], voting="hard")
125
+ assert clf1.fit(X, y).predict(X)[73] == 2
126
+ assert clf2.fit(X, y).predict(X)[73] == 1
127
+ assert eclf.fit(X, y).predict(X)[73] == 1
128
+
129
+
130
+ def test_weights_iris(global_random_seed):
131
+ """Check classification by average probabilities on dataset iris."""
132
+ clf1 = LogisticRegression(random_state=global_random_seed)
133
+ clf2 = RandomForestClassifier(n_estimators=10, random_state=global_random_seed)
134
+ clf3 = GaussianNB()
135
+ eclf = VotingClassifier(
136
+ estimators=[("lr", clf1), ("rf", clf2), ("gnb", clf3)],
137
+ voting="soft",
138
+ weights=[1, 2, 10],
139
+ )
140
+ scores = cross_val_score(eclf, X_scaled, y, scoring="accuracy")
141
+ assert scores.mean() >= 0.9
142
+
143
+
144
+ def test_weights_regressor():
145
+ """Check weighted average regression prediction on diabetes dataset."""
146
+ reg1 = DummyRegressor(strategy="mean")
147
+ reg2 = DummyRegressor(strategy="median")
148
+ reg3 = DummyRegressor(strategy="quantile", quantile=0.2)
149
+ ereg = VotingRegressor(
150
+ [("mean", reg1), ("median", reg2), ("quantile", reg3)], weights=[1, 2, 10]
151
+ )
152
+
153
+ X_r_train, X_r_test, y_r_train, y_r_test = train_test_split(
154
+ X_r, y_r, test_size=0.25
155
+ )
156
+
157
+ reg1_pred = reg1.fit(X_r_train, y_r_train).predict(X_r_test)
158
+ reg2_pred = reg2.fit(X_r_train, y_r_train).predict(X_r_test)
159
+ reg3_pred = reg3.fit(X_r_train, y_r_train).predict(X_r_test)
160
+ ereg_pred = ereg.fit(X_r_train, y_r_train).predict(X_r_test)
161
+
162
+ avg = np.average(
163
+ np.asarray([reg1_pred, reg2_pred, reg3_pred]), axis=0, weights=[1, 2, 10]
164
+ )
165
+ assert_almost_equal(ereg_pred, avg, decimal=2)
166
+
167
+ ereg_weights_none = VotingRegressor(
168
+ [("mean", reg1), ("median", reg2), ("quantile", reg3)], weights=None
169
+ )
170
+ ereg_weights_equal = VotingRegressor(
171
+ [("mean", reg1), ("median", reg2), ("quantile", reg3)], weights=[1, 1, 1]
172
+ )
173
+ ereg_weights_none.fit(X_r_train, y_r_train)
174
+ ereg_weights_equal.fit(X_r_train, y_r_train)
175
+ ereg_none_pred = ereg_weights_none.predict(X_r_test)
176
+ ereg_equal_pred = ereg_weights_equal.predict(X_r_test)
177
+ assert_almost_equal(ereg_none_pred, ereg_equal_pred, decimal=2)
178
+
179
+
180
+ def test_predict_on_toy_problem(global_random_seed):
181
+ """Manually check predicted class labels for toy dataset."""
182
+ clf1 = LogisticRegression(random_state=global_random_seed)
183
+ clf2 = RandomForestClassifier(n_estimators=10, random_state=global_random_seed)
184
+ clf3 = GaussianNB()
185
+
186
+ X = np.array(
187
+ [[-1.1, -1.5], [-1.2, -1.4], [-3.4, -2.2], [1.1, 1.2], [2.1, 1.4], [3.1, 2.3]]
188
+ )
189
+
190
+ y = np.array([1, 1, 1, 2, 2, 2])
191
+
192
+ assert_array_equal(clf1.fit(X, y).predict(X), [1, 1, 1, 2, 2, 2])
193
+ assert_array_equal(clf2.fit(X, y).predict(X), [1, 1, 1, 2, 2, 2])
194
+ assert_array_equal(clf3.fit(X, y).predict(X), [1, 1, 1, 2, 2, 2])
195
+
196
+ eclf = VotingClassifier(
197
+ estimators=[("lr", clf1), ("rf", clf2), ("gnb", clf3)],
198
+ voting="hard",
199
+ weights=[1, 1, 1],
200
+ )
201
+ assert_array_equal(eclf.fit(X, y).predict(X), [1, 1, 1, 2, 2, 2])
202
+
203
+ eclf = VotingClassifier(
204
+ estimators=[("lr", clf1), ("rf", clf2), ("gnb", clf3)],
205
+ voting="soft",
206
+ weights=[1, 1, 1],
207
+ )
208
+ assert_array_equal(eclf.fit(X, y).predict(X), [1, 1, 1, 2, 2, 2])
209
+
210
+
211
+ def test_predict_proba_on_toy_problem():
212
+ """Calculate predicted probabilities on toy dataset."""
213
+ clf1 = LogisticRegression(random_state=123)
214
+ clf2 = RandomForestClassifier(random_state=123)
215
+ clf3 = GaussianNB()
216
+ X = np.array([[-1.1, -1.5], [-1.2, -1.4], [-3.4, -2.2], [1.1, 1.2]])
217
+ y = np.array([1, 1, 2, 2])
218
+
219
+ clf1_res = np.array(
220
+ [
221
+ [0.59790391, 0.40209609],
222
+ [0.57622162, 0.42377838],
223
+ [0.50728456, 0.49271544],
224
+ [0.40241774, 0.59758226],
225
+ ]
226
+ )
227
+
228
+ clf2_res = np.array([[0.8, 0.2], [0.8, 0.2], [0.2, 0.8], [0.3, 0.7]])
229
+
230
+ clf3_res = np.array(
231
+ [[0.9985082, 0.0014918], [0.99845843, 0.00154157], [0.0, 1.0], [0.0, 1.0]]
232
+ )
233
+
234
+ t00 = (2 * clf1_res[0][0] + clf2_res[0][0] + clf3_res[0][0]) / 4
235
+ t11 = (2 * clf1_res[1][1] + clf2_res[1][1] + clf3_res[1][1]) / 4
236
+ t21 = (2 * clf1_res[2][1] + clf2_res[2][1] + clf3_res[2][1]) / 4
237
+ t31 = (2 * clf1_res[3][1] + clf2_res[3][1] + clf3_res[3][1]) / 4
238
+
239
+ eclf = VotingClassifier(
240
+ estimators=[("lr", clf1), ("rf", clf2), ("gnb", clf3)],
241
+ voting="soft",
242
+ weights=[2, 1, 1],
243
+ )
244
+ eclf_res = eclf.fit(X, y).predict_proba(X)
245
+
246
+ assert_almost_equal(t00, eclf_res[0][0], decimal=1)
247
+ assert_almost_equal(t11, eclf_res[1][1], decimal=1)
248
+ assert_almost_equal(t21, eclf_res[2][1], decimal=1)
249
+ assert_almost_equal(t31, eclf_res[3][1], decimal=1)
250
+
251
+ inner_msg = "predict_proba is not available when voting='hard'"
252
+ outer_msg = "'VotingClassifier' has no attribute 'predict_proba'"
253
+ with pytest.raises(AttributeError, match=outer_msg) as exec_info:
254
+ eclf = VotingClassifier(
255
+ estimators=[("lr", clf1), ("rf", clf2), ("gnb", clf3)], voting="hard"
256
+ )
257
+ eclf.fit(X, y).predict_proba(X)
258
+
259
+ assert isinstance(exec_info.value.__cause__, AttributeError)
260
+ assert inner_msg in str(exec_info.value.__cause__)
261
+
262
+
263
+ def test_multilabel():
264
+ """Check if error is raised for multilabel classification."""
265
+ X, y = make_multilabel_classification(
266
+ n_classes=2, n_labels=1, allow_unlabeled=False, random_state=123
267
+ )
268
+ clf = OneVsRestClassifier(SVC(kernel="linear"))
269
+
270
+ eclf = VotingClassifier(estimators=[("ovr", clf)], voting="hard")
271
+
272
+ try:
273
+ eclf.fit(X, y)
274
+ except NotImplementedError:
275
+ return
276
+
277
+
278
+ def test_gridsearch():
279
+ """Check GridSearch support."""
280
+ clf1 = LogisticRegression(random_state=1)
281
+ clf2 = RandomForestClassifier(random_state=1, n_estimators=3)
282
+ clf3 = GaussianNB()
283
+ eclf = VotingClassifier(
284
+ estimators=[("lr", clf1), ("rf", clf2), ("gnb", clf3)], voting="soft"
285
+ )
286
+
287
+ params = {
288
+ "lr__C": [1.0, 100.0],
289
+ "voting": ["soft", "hard"],
290
+ "weights": [[0.5, 0.5, 0.5], [1.0, 0.5, 0.5]],
291
+ }
292
+
293
+ grid = GridSearchCV(estimator=eclf, param_grid=params, cv=2)
294
+ grid.fit(X_scaled, y)
295
+
296
+
297
+ def test_parallel_fit(global_random_seed):
298
+ """Check parallel backend of VotingClassifier on toy dataset."""
299
+ clf1 = LogisticRegression(random_state=global_random_seed)
300
+ clf2 = RandomForestClassifier(n_estimators=10, random_state=global_random_seed)
301
+ clf3 = GaussianNB()
302
+ X = np.array([[-1.1, -1.5], [-1.2, -1.4], [-3.4, -2.2], [1.1, 1.2]])
303
+ y = np.array([1, 1, 2, 2])
304
+
305
+ eclf1 = VotingClassifier(
306
+ estimators=[("lr", clf1), ("rf", clf2), ("gnb", clf3)], voting="soft", n_jobs=1
307
+ ).fit(X, y)
308
+ eclf2 = VotingClassifier(
309
+ estimators=[("lr", clf1), ("rf", clf2), ("gnb", clf3)], voting="soft", n_jobs=2
310
+ ).fit(X, y)
311
+
312
+ assert_array_equal(eclf1.predict(X), eclf2.predict(X))
313
+ assert_array_almost_equal(eclf1.predict_proba(X), eclf2.predict_proba(X))
314
+
315
+
316
+ # TODO(1.7): remove warning filter when sample_weight is kwarg only
317
+ @pytest.mark.filterwarnings("ignore::FutureWarning")
318
+ def test_sample_weight(global_random_seed):
319
+ """Tests sample_weight parameter of VotingClassifier"""
320
+ clf1 = LogisticRegression(random_state=global_random_seed)
321
+ clf2 = RandomForestClassifier(n_estimators=10, random_state=global_random_seed)
322
+ clf3 = SVC(probability=True, random_state=global_random_seed)
323
+ eclf1 = VotingClassifier(
324
+ estimators=[("lr", clf1), ("rf", clf2), ("svc", clf3)], voting="soft"
325
+ ).fit(X_scaled, y, sample_weight=np.ones((len(y),)))
326
+ eclf2 = VotingClassifier(
327
+ estimators=[("lr", clf1), ("rf", clf2), ("svc", clf3)], voting="soft"
328
+ ).fit(X_scaled, y)
329
+ assert_array_equal(eclf1.predict(X_scaled), eclf2.predict(X_scaled))
330
+ assert_array_almost_equal(
331
+ eclf1.predict_proba(X_scaled), eclf2.predict_proba(X_scaled)
332
+ )
333
+ sample_weight = np.random.RandomState(global_random_seed).uniform(size=(len(y),))
334
+ eclf3 = VotingClassifier(estimators=[("lr", clf1)], voting="soft")
335
+ eclf3.fit(X_scaled, y, sample_weight)
336
+ clf1.fit(X_scaled, y, sample_weight)
337
+ assert_array_equal(eclf3.predict(X_scaled), clf1.predict(X_scaled))
338
+ assert_array_almost_equal(
339
+ eclf3.predict_proba(X_scaled), clf1.predict_proba(X_scaled)
340
+ )
341
+
342
+ # check that an error is raised and indicative if sample_weight is not
343
+ # supported.
344
+ clf4 = KNeighborsClassifier()
345
+ eclf3 = VotingClassifier(
346
+ estimators=[("lr", clf1), ("svc", clf3), ("knn", clf4)], voting="soft"
347
+ )
348
+ msg = "Underlying estimator KNeighborsClassifier does not support sample weights."
349
+ with pytest.raises(TypeError, match=msg):
350
+ eclf3.fit(X_scaled, y, sample_weight)
351
+
352
+ # check that _fit_single_estimator will raise the right error
353
+ # it should raise the original error if this is not linked to sample_weight
354
+ class ClassifierErrorFit(ClassifierMixin, BaseEstimator):
355
+ def fit(self, X_scaled, y, sample_weight):
356
+ raise TypeError("Error unrelated to sample_weight.")
357
+
358
+ clf = ClassifierErrorFit()
359
+ with pytest.raises(TypeError, match="Error unrelated to sample_weight"):
360
+ clf.fit(X_scaled, y, sample_weight=sample_weight)
361
+
362
+
363
+ def test_sample_weight_kwargs():
364
+ """Check that VotingClassifier passes sample_weight as kwargs"""
365
+
366
+ class MockClassifier(ClassifierMixin, BaseEstimator):
367
+ """Mock Classifier to check that sample_weight is received as kwargs"""
368
+
369
+ def fit(self, X, y, *args, **sample_weight):
370
+ assert "sample_weight" in sample_weight
371
+
372
+ clf = MockClassifier()
373
+ eclf = VotingClassifier(estimators=[("mock", clf)], voting="soft")
374
+
375
+ # Should not raise an error.
376
+ eclf.fit(X, y, sample_weight=np.ones((len(y),)))
377
+
378
+
379
+ def test_voting_classifier_set_params(global_random_seed):
380
+ # check equivalence in the output when setting underlying estimators
381
+ clf1 = LogisticRegression(random_state=global_random_seed)
382
+ clf2 = RandomForestClassifier(
383
+ n_estimators=10, random_state=global_random_seed, max_depth=None
384
+ )
385
+ clf3 = GaussianNB()
386
+
387
+ eclf1 = VotingClassifier(
388
+ [("lr", clf1), ("rf", clf2)], voting="soft", weights=[1, 2]
389
+ ).fit(X_scaled, y)
390
+ eclf2 = VotingClassifier(
391
+ [("lr", clf1), ("nb", clf3)], voting="soft", weights=[1, 2]
392
+ )
393
+ eclf2.set_params(nb=clf2).fit(X_scaled, y)
394
+
395
+ assert_array_equal(eclf1.predict(X_scaled), eclf2.predict(X_scaled))
396
+ assert_array_almost_equal(
397
+ eclf1.predict_proba(X_scaled), eclf2.predict_proba(X_scaled)
398
+ )
399
+ assert eclf2.estimators[0][1].get_params() == clf1.get_params()
400
+ assert eclf2.estimators[1][1].get_params() == clf2.get_params()
401
+
402
+
403
+ def test_set_estimator_drop():
404
+ # VotingClassifier set_params should be able to set estimators as drop
405
+ # Test predict
406
+ clf1 = LogisticRegression(random_state=123)
407
+ clf2 = RandomForestClassifier(n_estimators=10, random_state=123)
408
+ clf3 = GaussianNB()
409
+ eclf1 = VotingClassifier(
410
+ estimators=[("lr", clf1), ("rf", clf2), ("nb", clf3)],
411
+ voting="hard",
412
+ weights=[1, 0, 0.5],
413
+ ).fit(X, y)
414
+
415
+ eclf2 = VotingClassifier(
416
+ estimators=[("lr", clf1), ("rf", clf2), ("nb", clf3)],
417
+ voting="hard",
418
+ weights=[1, 1, 0.5],
419
+ )
420
+ eclf2.set_params(rf="drop").fit(X, y)
421
+
422
+ assert_array_equal(eclf1.predict(X), eclf2.predict(X))
423
+
424
+ assert dict(eclf2.estimators)["rf"] == "drop"
425
+ assert len(eclf2.estimators_) == 2
426
+ assert all(
427
+ isinstance(est, (LogisticRegression, GaussianNB)) for est in eclf2.estimators_
428
+ )
429
+ assert eclf2.get_params()["rf"] == "drop"
430
+
431
+ eclf1.set_params(voting="soft").fit(X, y)
432
+ eclf2.set_params(voting="soft").fit(X, y)
433
+
434
+ assert_array_equal(eclf1.predict(X), eclf2.predict(X))
435
+ assert_array_almost_equal(eclf1.predict_proba(X), eclf2.predict_proba(X))
436
+ msg = "All estimators are dropped. At least one is required"
437
+ with pytest.raises(ValueError, match=msg):
438
+ eclf2.set_params(lr="drop", rf="drop", nb="drop").fit(X, y)
439
+
440
+ # Test soft voting transform
441
+ X1 = np.array([[1], [2]])
442
+ y1 = np.array([1, 2])
443
+ eclf1 = VotingClassifier(
444
+ estimators=[("rf", clf2), ("nb", clf3)],
445
+ voting="soft",
446
+ weights=[0, 0.5],
447
+ flatten_transform=False,
448
+ ).fit(X1, y1)
449
+
450
+ eclf2 = VotingClassifier(
451
+ estimators=[("rf", clf2), ("nb", clf3)],
452
+ voting="soft",
453
+ weights=[1, 0.5],
454
+ flatten_transform=False,
455
+ )
456
+ eclf2.set_params(rf="drop").fit(X1, y1)
457
+ assert_array_almost_equal(
458
+ eclf1.transform(X1),
459
+ np.array([[[0.7, 0.3], [0.3, 0.7]], [[1.0, 0.0], [0.0, 1.0]]]),
460
+ )
461
+ assert_array_almost_equal(eclf2.transform(X1), np.array([[[1.0, 0.0], [0.0, 1.0]]]))
462
+ eclf1.set_params(voting="hard")
463
+ eclf2.set_params(voting="hard")
464
+ assert_array_equal(eclf1.transform(X1), np.array([[0, 0], [1, 1]]))
465
+ assert_array_equal(eclf2.transform(X1), np.array([[0], [1]]))
466
+
467
+
468
+ def test_estimator_weights_format(global_random_seed):
469
+ # Test estimator weights inputs as list and array
470
+ clf1 = LogisticRegression(random_state=global_random_seed)
471
+ clf2 = RandomForestClassifier(n_estimators=10, random_state=global_random_seed)
472
+ eclf1 = VotingClassifier(
473
+ estimators=[("lr", clf1), ("rf", clf2)], weights=[1, 2], voting="soft"
474
+ )
475
+ eclf2 = VotingClassifier(
476
+ estimators=[("lr", clf1), ("rf", clf2)], weights=np.array((1, 2)), voting="soft"
477
+ )
478
+ eclf1.fit(X_scaled, y)
479
+ eclf2.fit(X_scaled, y)
480
+ assert_array_almost_equal(
481
+ eclf1.predict_proba(X_scaled), eclf2.predict_proba(X_scaled)
482
+ )
483
+
484
+
485
+ def test_transform(global_random_seed):
486
+ """Check transform method of VotingClassifier on toy dataset."""
487
+ clf1 = LogisticRegression(random_state=global_random_seed)
488
+ clf2 = RandomForestClassifier(n_estimators=10, random_state=global_random_seed)
489
+ clf3 = GaussianNB()
490
+ X = np.array([[-1.1, -1.5], [-1.2, -1.4], [-3.4, -2.2], [1.1, 1.2]])
491
+ y = np.array([1, 1, 2, 2])
492
+
493
+ eclf1 = VotingClassifier(
494
+ estimators=[("lr", clf1), ("rf", clf2), ("gnb", clf3)], voting="soft"
495
+ ).fit(X, y)
496
+ eclf2 = VotingClassifier(
497
+ estimators=[("lr", clf1), ("rf", clf2), ("gnb", clf3)],
498
+ voting="soft",
499
+ flatten_transform=True,
500
+ ).fit(X, y)
501
+ eclf3 = VotingClassifier(
502
+ estimators=[("lr", clf1), ("rf", clf2), ("gnb", clf3)],
503
+ voting="soft",
504
+ flatten_transform=False,
505
+ ).fit(X, y)
506
+
507
+ assert_array_equal(eclf1.transform(X).shape, (4, 6))
508
+ assert_array_equal(eclf2.transform(X).shape, (4, 6))
509
+ assert_array_equal(eclf3.transform(X).shape, (3, 4, 2))
510
+ assert_array_almost_equal(eclf1.transform(X), eclf2.transform(X))
511
+ assert_array_almost_equal(
512
+ eclf3.transform(X).swapaxes(0, 1).reshape((4, 6)), eclf2.transform(X)
513
+ )
514
+
515
+
516
+ @pytest.mark.parametrize(
517
+ "X, y, voter",
518
+ [
519
+ (
520
+ X,
521
+ y,
522
+ VotingClassifier(
523
+ [
524
+ ("lr", LogisticRegression()),
525
+ ("rf", RandomForestClassifier(n_estimators=5)),
526
+ ]
527
+ ),
528
+ ),
529
+ (
530
+ X_r,
531
+ y_r,
532
+ VotingRegressor(
533
+ [
534
+ ("lr", LinearRegression()),
535
+ ("rf", RandomForestRegressor(n_estimators=5)),
536
+ ]
537
+ ),
538
+ ),
539
+ ],
540
+ )
541
+ def test_none_estimator_with_weights(X, y, voter):
542
+ # check that an estimator can be set to 'drop' and passing some weight
543
+ # regression test for
544
+ # https://github.com/scikit-learn/scikit-learn/issues/13777
545
+ voter = clone(voter)
546
+ # Scaled to solve ConvergenceWarning throw by Logistic Regression
547
+ X_scaled = StandardScaler().fit_transform(X)
548
+ voter.fit(X_scaled, y, sample_weight=np.ones(y.shape))
549
+ voter.set_params(lr="drop")
550
+ voter.fit(X_scaled, y, sample_weight=np.ones(y.shape))
551
+ y_pred = voter.predict(X_scaled)
552
+ assert y_pred.shape == y.shape
553
+
554
+
555
+ @pytest.mark.parametrize(
556
+ "est",
557
+ [
558
+ VotingRegressor(
559
+ estimators=[
560
+ ("lr", LinearRegression()),
561
+ ("tree", DecisionTreeRegressor(random_state=0)),
562
+ ]
563
+ ),
564
+ VotingClassifier(
565
+ estimators=[
566
+ ("lr", LogisticRegression(random_state=0)),
567
+ ("tree", DecisionTreeClassifier(random_state=0)),
568
+ ]
569
+ ),
570
+ ],
571
+ ids=["VotingRegressor", "VotingClassifier"],
572
+ )
573
+ def test_n_features_in(est):
574
+ X = [[1, 2], [3, 4], [5, 6]]
575
+ y = [0, 1, 2]
576
+
577
+ assert not hasattr(est, "n_features_in_")
578
+ est.fit(X, y)
579
+ assert est.n_features_in_ == 2
580
+
581
+
582
+ @pytest.mark.parametrize(
583
+ "estimator",
584
+ [
585
+ VotingRegressor(
586
+ estimators=[
587
+ ("lr", LinearRegression()),
588
+ ("rf", RandomForestRegressor(random_state=123)),
589
+ ],
590
+ verbose=True,
591
+ ),
592
+ VotingClassifier(
593
+ estimators=[
594
+ ("lr", LogisticRegression(random_state=123)),
595
+ ("rf", RandomForestClassifier(random_state=123)),
596
+ ],
597
+ verbose=True,
598
+ ),
599
+ ],
600
+ )
601
+ def test_voting_verbose(estimator, capsys):
602
+ X = np.array([[-1.1, -1.5], [-1.2, -1.4], [-3.4, -2.2], [1.1, 1.2]])
603
+ y = np.array([1, 1, 2, 2])
604
+
605
+ pattern = (
606
+ r"\[Voting\].*\(1 of 2\) Processing lr, total=.*\n"
607
+ r"\[Voting\].*\(2 of 2\) Processing rf, total=.*\n$"
608
+ )
609
+ clone(estimator).fit(X, y)
610
+ assert re.match(pattern, capsys.readouterr()[0])
611
+
612
+
613
+ def test_get_features_names_out_regressor():
614
+ """Check get_feature_names_out output for regressor."""
615
+
616
+ X = [[1, 2], [3, 4], [5, 6]]
617
+ y = [0, 1, 2]
618
+
619
+ voting = VotingRegressor(
620
+ estimators=[
621
+ ("lr", LinearRegression()),
622
+ ("tree", DecisionTreeRegressor(random_state=0)),
623
+ ("ignore", "drop"),
624
+ ]
625
+ )
626
+ voting.fit(X, y)
627
+
628
+ names_out = voting.get_feature_names_out()
629
+ expected_names = ["votingregressor_lr", "votingregressor_tree"]
630
+ assert_array_equal(names_out, expected_names)
631
+
632
+
633
+ @pytest.mark.parametrize(
634
+ "kwargs, expected_names",
635
+ [
636
+ (
637
+ {"voting": "soft", "flatten_transform": True},
638
+ [
639
+ "votingclassifier_lr0",
640
+ "votingclassifier_lr1",
641
+ "votingclassifier_lr2",
642
+ "votingclassifier_tree0",
643
+ "votingclassifier_tree1",
644
+ "votingclassifier_tree2",
645
+ ],
646
+ ),
647
+ ({"voting": "hard"}, ["votingclassifier_lr", "votingclassifier_tree"]),
648
+ ],
649
+ )
650
+ def test_get_features_names_out_classifier(kwargs, expected_names):
651
+ """Check get_feature_names_out for classifier for different settings."""
652
+ X = [[1, 2], [3, 4], [5, 6], [1, 1.2]]
653
+ y = [0, 1, 2, 0]
654
+
655
+ voting = VotingClassifier(
656
+ estimators=[
657
+ ("lr", LogisticRegression(random_state=0)),
658
+ ("tree", DecisionTreeClassifier(random_state=0)),
659
+ ],
660
+ **kwargs,
661
+ )
662
+ voting.fit(X, y)
663
+ X_trans = voting.transform(X)
664
+ names_out = voting.get_feature_names_out()
665
+
666
+ assert X_trans.shape[1] == len(expected_names)
667
+ assert_array_equal(names_out, expected_names)
668
+
669
+
670
+ def test_get_features_names_out_classifier_error():
671
+ """Check that error is raised when voting="soft" and flatten_transform=False."""
672
+ X = [[1, 2], [3, 4], [5, 6]]
673
+ y = [0, 1, 2]
674
+
675
+ voting = VotingClassifier(
676
+ estimators=[
677
+ ("lr", LogisticRegression(random_state=0)),
678
+ ("tree", DecisionTreeClassifier(random_state=0)),
679
+ ],
680
+ voting="soft",
681
+ flatten_transform=False,
682
+ )
683
+ voting.fit(X, y)
684
+
685
+ msg = (
686
+ "get_feature_names_out is not supported when `voting='soft'` and "
687
+ "`flatten_transform=False`"
688
+ )
689
+ with pytest.raises(ValueError, match=msg):
690
+ voting.get_feature_names_out()
691
+
692
+
693
+ # Metadata Routing Tests
694
+ # ======================
695
+
696
+
697
+ @pytest.mark.parametrize(
698
+ "Estimator, Child",
699
+ [(VotingClassifier, ConsumingClassifier), (VotingRegressor, ConsumingRegressor)],
700
+ )
701
+ def test_routing_passed_metadata_not_supported(Estimator, Child):
702
+ """Test that the right error message is raised when metadata is passed while
703
+ not supported when `enable_metadata_routing=False`."""
704
+
705
+ X = np.array([[0, 1], [2, 2], [4, 6]])
706
+ y = [1, 2, 3]
707
+
708
+ with pytest.raises(
709
+ ValueError, match="is only supported if enable_metadata_routing=True"
710
+ ):
711
+ Estimator(["clf", Child()]).fit(X, y, sample_weight=[1, 1, 1], metadata="a")
712
+
713
+
714
+ @pytest.mark.parametrize(
715
+ "Estimator, Child",
716
+ [(VotingClassifier, ConsumingClassifier), (VotingRegressor, ConsumingRegressor)],
717
+ )
718
+ @config_context(enable_metadata_routing=True)
719
+ def test_get_metadata_routing_without_fit(Estimator, Child):
720
+ # Test that metadata_routing() doesn't raise when called before fit.
721
+ est = Estimator([("sub_est", Child())])
722
+ est.get_metadata_routing()
723
+
724
+
725
+ @pytest.mark.parametrize(
726
+ "Estimator, Child",
727
+ [(VotingClassifier, ConsumingClassifier), (VotingRegressor, ConsumingRegressor)],
728
+ )
729
+ @pytest.mark.parametrize("prop", ["sample_weight", "metadata"])
730
+ @config_context(enable_metadata_routing=True)
731
+ def test_metadata_routing_for_voting_estimators(Estimator, Child, prop):
732
+ """Test that metadata is routed correctly for Voting*."""
733
+ X = np.array([[0, 1], [2, 2], [4, 6]])
734
+ y = [1, 2, 3]
735
+ sample_weight, metadata = [1, 1, 1], "a"
736
+
737
+ est = Estimator(
738
+ [
739
+ (
740
+ "sub_est1",
741
+ Child(registry=_Registry()).set_fit_request(**{prop: True}),
742
+ ),
743
+ (
744
+ "sub_est2",
745
+ Child(registry=_Registry()).set_fit_request(**{prop: True}),
746
+ ),
747
+ ]
748
+ )
749
+
750
+ est.fit(X, y, **{prop: sample_weight if prop == "sample_weight" else metadata})
751
+
752
+ for estimator in est.estimators:
753
+ if prop == "sample_weight":
754
+ kwargs = {prop: sample_weight}
755
+ else:
756
+ kwargs = {prop: metadata}
757
+ # access sub-estimator in (name, est) with estimator[1]
758
+ registry = estimator[1].registry
759
+ assert len(registry)
760
+ for sub_est in registry:
761
+ check_recorded_metadata(obj=sub_est, method="fit", parent="fit", **kwargs)
762
+
763
+
764
+ @pytest.mark.parametrize(
765
+ "Estimator, Child",
766
+ [(VotingClassifier, ConsumingClassifier), (VotingRegressor, ConsumingRegressor)],
767
+ )
768
+ @config_context(enable_metadata_routing=True)
769
+ def test_metadata_routing_error_for_voting_estimators(Estimator, Child):
770
+ """Test that the right error is raised when metadata is not requested."""
771
+ X = np.array([[0, 1], [2, 2], [4, 6]])
772
+ y = [1, 2, 3]
773
+ sample_weight, metadata = [1, 1, 1], "a"
774
+
775
+ est = Estimator([("sub_est", Child())])
776
+
777
+ error_message = (
778
+ "[sample_weight, metadata] are passed but are not explicitly set as requested"
779
+ f" or not requested for {Child.__name__}.fit"
780
+ )
781
+
782
+ with pytest.raises(ValueError, match=re.escape(error_message)):
783
+ est.fit(X, y, sample_weight=sample_weight, metadata=metadata)
784
+
785
+
786
+ # End of Metadata Routing Tests
787
+ # =============================
openflamingo/lib/python3.10/site-packages/sklearn/ensemble/tests/test_weight_boosting.py ADDED
@@ -0,0 +1,639 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ """Testing for the boost module (sklearn.ensemble.boost)."""
2
+
3
+ import re
4
+
5
+ import numpy as np
6
+ import pytest
7
+
8
+ from sklearn import datasets
9
+ from sklearn.base import BaseEstimator, clone
10
+ from sklearn.dummy import DummyClassifier, DummyRegressor
11
+ from sklearn.ensemble import AdaBoostClassifier, AdaBoostRegressor
12
+ from sklearn.ensemble._weight_boosting import _samme_proba
13
+ from sklearn.linear_model import LinearRegression
14
+ from sklearn.model_selection import GridSearchCV, train_test_split
15
+ from sklearn.svm import SVC, SVR
16
+ from sklearn.tree import DecisionTreeClassifier, DecisionTreeRegressor
17
+ from sklearn.utils import shuffle
18
+ from sklearn.utils._mocking import NoSampleWeightWrapper
19
+ from sklearn.utils._testing import (
20
+ assert_allclose,
21
+ assert_array_almost_equal,
22
+ assert_array_equal,
23
+ )
24
+ from sklearn.utils.fixes import (
25
+ COO_CONTAINERS,
26
+ CSC_CONTAINERS,
27
+ CSR_CONTAINERS,
28
+ DOK_CONTAINERS,
29
+ LIL_CONTAINERS,
30
+ )
31
+
32
+ # Common random state
33
+ rng = np.random.RandomState(0)
34
+
35
+ # Toy sample
36
+ X = [[-2, -1], [-1, -1], [-1, -2], [1, 1], [1, 2], [2, 1]]
37
+ y_class = ["foo", "foo", "foo", 1, 1, 1] # test string class labels
38
+ y_regr = [-1, -1, -1, 1, 1, 1]
39
+ T = [[-1, -1], [2, 2], [3, 2]]
40
+ y_t_class = ["foo", 1, 1]
41
+ y_t_regr = [-1, 1, 1]
42
+
43
+ # Load the iris dataset and randomly permute it
44
+ iris = datasets.load_iris()
45
+ perm = rng.permutation(iris.target.size)
46
+ iris.data, iris.target = shuffle(iris.data, iris.target, random_state=rng)
47
+
48
+ # Load the diabetes dataset and randomly permute it
49
+ diabetes = datasets.load_diabetes()
50
+ diabetes.data, diabetes.target = shuffle(
51
+ diabetes.data, diabetes.target, random_state=rng
52
+ )
53
+
54
+
55
+ def test_samme_proba():
56
+ # Test the `_samme_proba` helper function.
57
+
58
+ # Define some example (bad) `predict_proba` output.
59
+ probs = np.array(
60
+ [[1, 1e-6, 0], [0.19, 0.6, 0.2], [-999, 0.51, 0.5], [1e-6, 1, 1e-9]]
61
+ )
62
+ probs /= np.abs(probs.sum(axis=1))[:, np.newaxis]
63
+
64
+ # _samme_proba calls estimator.predict_proba.
65
+ # Make a mock object so I can control what gets returned.
66
+ class MockEstimator:
67
+ def predict_proba(self, X):
68
+ assert_array_equal(X.shape, probs.shape)
69
+ return probs
70
+
71
+ mock = MockEstimator()
72
+
73
+ samme_proba = _samme_proba(mock, 3, np.ones_like(probs))
74
+
75
+ assert_array_equal(samme_proba.shape, probs.shape)
76
+ assert np.isfinite(samme_proba).all()
77
+
78
+ # Make sure that the correct elements come out as smallest --
79
+ # `_samme_proba` should preserve the ordering in each example.
80
+ assert_array_equal(np.argmin(samme_proba, axis=1), [2, 0, 0, 2])
81
+ assert_array_equal(np.argmax(samme_proba, axis=1), [0, 1, 1, 1])
82
+
83
+
84
+ def test_oneclass_adaboost_proba():
85
+ # Test predict_proba robustness for one class label input.
86
+ # In response to issue #7501
87
+ # https://github.com/scikit-learn/scikit-learn/issues/7501
88
+ y_t = np.ones(len(X))
89
+ clf = AdaBoostClassifier().fit(X, y_t)
90
+ assert_array_almost_equal(clf.predict_proba(X), np.ones((len(X), 1)))
91
+
92
+
93
+ def test_classification_toy():
94
+ # Check classification on a toy dataset.
95
+ clf = AdaBoostClassifier(random_state=0)
96
+ clf.fit(X, y_class)
97
+ assert_array_equal(clf.predict(T), y_t_class)
98
+ assert_array_equal(np.unique(np.asarray(y_t_class)), clf.classes_)
99
+ assert clf.predict_proba(T).shape == (len(T), 2)
100
+ assert clf.decision_function(T).shape == (len(T),)
101
+
102
+
103
+ def test_regression_toy():
104
+ # Check classification on a toy dataset.
105
+ clf = AdaBoostRegressor(random_state=0)
106
+ clf.fit(X, y_regr)
107
+ assert_array_equal(clf.predict(T), y_t_regr)
108
+
109
+
110
+ def test_iris():
111
+ # Check consistency on dataset iris.
112
+ classes = np.unique(iris.target)
113
+
114
+ clf = AdaBoostClassifier()
115
+ clf.fit(iris.data, iris.target)
116
+
117
+ assert_array_equal(classes, clf.classes_)
118
+ proba = clf.predict_proba(iris.data)
119
+
120
+ assert proba.shape[1] == len(classes)
121
+ assert clf.decision_function(iris.data).shape[1] == len(classes)
122
+
123
+ score = clf.score(iris.data, iris.target)
124
+ assert score > 0.9, f"Failed with {score = }"
125
+
126
+ # Check we used multiple estimators
127
+ assert len(clf.estimators_) > 1
128
+ # Check for distinct random states (see issue #7408)
129
+ assert len(set(est.random_state for est in clf.estimators_)) == len(clf.estimators_)
130
+
131
+
132
+ @pytest.mark.parametrize("loss", ["linear", "square", "exponential"])
133
+ def test_diabetes(loss):
134
+ # Check consistency on dataset diabetes.
135
+ reg = AdaBoostRegressor(loss=loss, random_state=0)
136
+ reg.fit(diabetes.data, diabetes.target)
137
+ score = reg.score(diabetes.data, diabetes.target)
138
+ assert score > 0.55
139
+
140
+ # Check we used multiple estimators
141
+ assert len(reg.estimators_) > 1
142
+ # Check for distinct random states (see issue #7408)
143
+ assert len(set(est.random_state for est in reg.estimators_)) == len(reg.estimators_)
144
+
145
+
146
+ def test_staged_predict():
147
+ # Check staged predictions.
148
+ rng = np.random.RandomState(0)
149
+ iris_weights = rng.randint(10, size=iris.target.shape)
150
+ diabetes_weights = rng.randint(10, size=diabetes.target.shape)
151
+
152
+ clf = AdaBoostClassifier(n_estimators=10)
153
+ clf.fit(iris.data, iris.target, sample_weight=iris_weights)
154
+
155
+ predictions = clf.predict(iris.data)
156
+ staged_predictions = [p for p in clf.staged_predict(iris.data)]
157
+ proba = clf.predict_proba(iris.data)
158
+ staged_probas = [p for p in clf.staged_predict_proba(iris.data)]
159
+ score = clf.score(iris.data, iris.target, sample_weight=iris_weights)
160
+ staged_scores = [
161
+ s for s in clf.staged_score(iris.data, iris.target, sample_weight=iris_weights)
162
+ ]
163
+
164
+ assert len(staged_predictions) == 10
165
+ assert_array_almost_equal(predictions, staged_predictions[-1])
166
+ assert len(staged_probas) == 10
167
+ assert_array_almost_equal(proba, staged_probas[-1])
168
+ assert len(staged_scores) == 10
169
+ assert_array_almost_equal(score, staged_scores[-1])
170
+
171
+ # AdaBoost regression
172
+ clf = AdaBoostRegressor(n_estimators=10, random_state=0)
173
+ clf.fit(diabetes.data, diabetes.target, sample_weight=diabetes_weights)
174
+
175
+ predictions = clf.predict(diabetes.data)
176
+ staged_predictions = [p for p in clf.staged_predict(diabetes.data)]
177
+ score = clf.score(diabetes.data, diabetes.target, sample_weight=diabetes_weights)
178
+ staged_scores = [
179
+ s
180
+ for s in clf.staged_score(
181
+ diabetes.data, diabetes.target, sample_weight=diabetes_weights
182
+ )
183
+ ]
184
+
185
+ assert len(staged_predictions) == 10
186
+ assert_array_almost_equal(predictions, staged_predictions[-1])
187
+ assert len(staged_scores) == 10
188
+ assert_array_almost_equal(score, staged_scores[-1])
189
+
190
+
191
+ def test_gridsearch():
192
+ # Check that base trees can be grid-searched.
193
+ # AdaBoost classification
194
+ boost = AdaBoostClassifier(estimator=DecisionTreeClassifier())
195
+ parameters = {
196
+ "n_estimators": (1, 2),
197
+ "estimator__max_depth": (1, 2),
198
+ }
199
+ clf = GridSearchCV(boost, parameters)
200
+ clf.fit(iris.data, iris.target)
201
+
202
+ # AdaBoost regression
203
+ boost = AdaBoostRegressor(estimator=DecisionTreeRegressor(), random_state=0)
204
+ parameters = {"n_estimators": (1, 2), "estimator__max_depth": (1, 2)}
205
+ clf = GridSearchCV(boost, parameters)
206
+ clf.fit(diabetes.data, diabetes.target)
207
+
208
+
209
+ def test_pickle():
210
+ # Check pickability.
211
+ import pickle
212
+
213
+ # Adaboost classifier
214
+ obj = AdaBoostClassifier()
215
+ obj.fit(iris.data, iris.target)
216
+ score = obj.score(iris.data, iris.target)
217
+ s = pickle.dumps(obj)
218
+
219
+ obj2 = pickle.loads(s)
220
+ assert type(obj2) == obj.__class__
221
+ score2 = obj2.score(iris.data, iris.target)
222
+ assert score == score2
223
+
224
+ # Adaboost regressor
225
+ obj = AdaBoostRegressor(random_state=0)
226
+ obj.fit(diabetes.data, diabetes.target)
227
+ score = obj.score(diabetes.data, diabetes.target)
228
+ s = pickle.dumps(obj)
229
+
230
+ obj2 = pickle.loads(s)
231
+ assert type(obj2) == obj.__class__
232
+ score2 = obj2.score(diabetes.data, diabetes.target)
233
+ assert score == score2
234
+
235
+
236
+ def test_importances():
237
+ # Check variable importances.
238
+ X, y = datasets.make_classification(
239
+ n_samples=2000,
240
+ n_features=10,
241
+ n_informative=3,
242
+ n_redundant=0,
243
+ n_repeated=0,
244
+ shuffle=False,
245
+ random_state=1,
246
+ )
247
+
248
+ clf = AdaBoostClassifier()
249
+
250
+ clf.fit(X, y)
251
+ importances = clf.feature_importances_
252
+
253
+ assert importances.shape[0] == 10
254
+ assert (importances[:3, np.newaxis] >= importances[3:]).all()
255
+
256
+
257
+ def test_adaboost_classifier_sample_weight_error():
258
+ # Test that it gives proper exception on incorrect sample weight.
259
+ clf = AdaBoostClassifier()
260
+ msg = re.escape("sample_weight.shape == (1,), expected (6,)")
261
+ with pytest.raises(ValueError, match=msg):
262
+ clf.fit(X, y_class, sample_weight=np.asarray([-1]))
263
+
264
+
265
+ def test_estimator():
266
+ # Test different estimators.
267
+ from sklearn.ensemble import RandomForestClassifier
268
+
269
+ # XXX doesn't work with y_class because RF doesn't support classes_
270
+ # Shouldn't AdaBoost run a LabelBinarizer?
271
+ clf = AdaBoostClassifier(RandomForestClassifier())
272
+ clf.fit(X, y_regr)
273
+
274
+ clf = AdaBoostClassifier(SVC())
275
+ clf.fit(X, y_class)
276
+
277
+ from sklearn.ensemble import RandomForestRegressor
278
+
279
+ clf = AdaBoostRegressor(RandomForestRegressor(), random_state=0)
280
+ clf.fit(X, y_regr)
281
+
282
+ clf = AdaBoostRegressor(SVR(), random_state=0)
283
+ clf.fit(X, y_regr)
284
+
285
+ # Check that an empty discrete ensemble fails in fit, not predict.
286
+ X_fail = [[1, 1], [1, 1], [1, 1], [1, 1]]
287
+ y_fail = ["foo", "bar", 1, 2]
288
+ clf = AdaBoostClassifier(SVC())
289
+ with pytest.raises(ValueError, match="worse than random"):
290
+ clf.fit(X_fail, y_fail)
291
+
292
+
293
+ def test_sample_weights_infinite():
294
+ msg = "Sample weights have reached infinite values"
295
+ clf = AdaBoostClassifier(n_estimators=30, learning_rate=23.0)
296
+ with pytest.warns(UserWarning, match=msg):
297
+ clf.fit(iris.data, iris.target)
298
+
299
+
300
+ @pytest.mark.parametrize(
301
+ "sparse_container, expected_internal_type",
302
+ zip(
303
+ [
304
+ *CSC_CONTAINERS,
305
+ *CSR_CONTAINERS,
306
+ *LIL_CONTAINERS,
307
+ *COO_CONTAINERS,
308
+ *DOK_CONTAINERS,
309
+ ],
310
+ CSC_CONTAINERS + 4 * CSR_CONTAINERS,
311
+ ),
312
+ )
313
+ def test_sparse_classification(sparse_container, expected_internal_type):
314
+ # Check classification with sparse input.
315
+
316
+ class CustomSVC(SVC):
317
+ """SVC variant that records the nature of the training set."""
318
+
319
+ def fit(self, X, y, sample_weight=None):
320
+ """Modification on fit caries data type for later verification."""
321
+ super().fit(X, y, sample_weight=sample_weight)
322
+ self.data_type_ = type(X)
323
+ return self
324
+
325
+ X, y = datasets.make_multilabel_classification(
326
+ n_classes=1, n_samples=15, n_features=5, random_state=42
327
+ )
328
+ # Flatten y to a 1d array
329
+ y = np.ravel(y)
330
+
331
+ X_train, X_test, y_train, y_test = train_test_split(X, y, random_state=0)
332
+
333
+ X_train_sparse = sparse_container(X_train)
334
+ X_test_sparse = sparse_container(X_test)
335
+
336
+ # Trained on sparse format
337
+ sparse_classifier = AdaBoostClassifier(
338
+ estimator=CustomSVC(probability=True),
339
+ random_state=1,
340
+ ).fit(X_train_sparse, y_train)
341
+
342
+ # Trained on dense format
343
+ dense_classifier = AdaBoostClassifier(
344
+ estimator=CustomSVC(probability=True),
345
+ random_state=1,
346
+ ).fit(X_train, y_train)
347
+
348
+ # predict
349
+ sparse_clf_results = sparse_classifier.predict(X_test_sparse)
350
+ dense_clf_results = dense_classifier.predict(X_test)
351
+ assert_array_equal(sparse_clf_results, dense_clf_results)
352
+
353
+ # decision_function
354
+ sparse_clf_results = sparse_classifier.decision_function(X_test_sparse)
355
+ dense_clf_results = dense_classifier.decision_function(X_test)
356
+ assert_array_almost_equal(sparse_clf_results, dense_clf_results)
357
+
358
+ # predict_log_proba
359
+ sparse_clf_results = sparse_classifier.predict_log_proba(X_test_sparse)
360
+ dense_clf_results = dense_classifier.predict_log_proba(X_test)
361
+ assert_array_almost_equal(sparse_clf_results, dense_clf_results)
362
+
363
+ # predict_proba
364
+ sparse_clf_results = sparse_classifier.predict_proba(X_test_sparse)
365
+ dense_clf_results = dense_classifier.predict_proba(X_test)
366
+ assert_array_almost_equal(sparse_clf_results, dense_clf_results)
367
+
368
+ # score
369
+ sparse_clf_results = sparse_classifier.score(X_test_sparse, y_test)
370
+ dense_clf_results = dense_classifier.score(X_test, y_test)
371
+ assert_array_almost_equal(sparse_clf_results, dense_clf_results)
372
+
373
+ # staged_decision_function
374
+ sparse_clf_results = sparse_classifier.staged_decision_function(X_test_sparse)
375
+ dense_clf_results = dense_classifier.staged_decision_function(X_test)
376
+ for sparse_clf_res, dense_clf_res in zip(sparse_clf_results, dense_clf_results):
377
+ assert_array_almost_equal(sparse_clf_res, dense_clf_res)
378
+
379
+ # staged_predict
380
+ sparse_clf_results = sparse_classifier.staged_predict(X_test_sparse)
381
+ dense_clf_results = dense_classifier.staged_predict(X_test)
382
+ for sparse_clf_res, dense_clf_res in zip(sparse_clf_results, dense_clf_results):
383
+ assert_array_equal(sparse_clf_res, dense_clf_res)
384
+
385
+ # staged_predict_proba
386
+ sparse_clf_results = sparse_classifier.staged_predict_proba(X_test_sparse)
387
+ dense_clf_results = dense_classifier.staged_predict_proba(X_test)
388
+ for sparse_clf_res, dense_clf_res in zip(sparse_clf_results, dense_clf_results):
389
+ assert_array_almost_equal(sparse_clf_res, dense_clf_res)
390
+
391
+ # staged_score
392
+ sparse_clf_results = sparse_classifier.staged_score(X_test_sparse, y_test)
393
+ dense_clf_results = dense_classifier.staged_score(X_test, y_test)
394
+ for sparse_clf_res, dense_clf_res in zip(sparse_clf_results, dense_clf_results):
395
+ assert_array_equal(sparse_clf_res, dense_clf_res)
396
+
397
+ # Verify sparsity of data is maintained during training
398
+ types = [i.data_type_ for i in sparse_classifier.estimators_]
399
+
400
+ assert all([t == expected_internal_type for t in types])
401
+
402
+
403
+ @pytest.mark.parametrize(
404
+ "sparse_container, expected_internal_type",
405
+ zip(
406
+ [
407
+ *CSC_CONTAINERS,
408
+ *CSR_CONTAINERS,
409
+ *LIL_CONTAINERS,
410
+ *COO_CONTAINERS,
411
+ *DOK_CONTAINERS,
412
+ ],
413
+ CSC_CONTAINERS + 4 * CSR_CONTAINERS,
414
+ ),
415
+ )
416
+ def test_sparse_regression(sparse_container, expected_internal_type):
417
+ # Check regression with sparse input.
418
+
419
+ class CustomSVR(SVR):
420
+ """SVR variant that records the nature of the training set."""
421
+
422
+ def fit(self, X, y, sample_weight=None):
423
+ """Modification on fit caries data type for later verification."""
424
+ super().fit(X, y, sample_weight=sample_weight)
425
+ self.data_type_ = type(X)
426
+ return self
427
+
428
+ X, y = datasets.make_regression(
429
+ n_samples=15, n_features=50, n_targets=1, random_state=42
430
+ )
431
+
432
+ X_train, X_test, y_train, y_test = train_test_split(X, y, random_state=0)
433
+
434
+ X_train_sparse = sparse_container(X_train)
435
+ X_test_sparse = sparse_container(X_test)
436
+
437
+ # Trained on sparse format
438
+ sparse_regressor = AdaBoostRegressor(estimator=CustomSVR(), random_state=1).fit(
439
+ X_train_sparse, y_train
440
+ )
441
+
442
+ # Trained on dense format
443
+ dense_regressor = AdaBoostRegressor(estimator=CustomSVR(), random_state=1).fit(
444
+ X_train, y_train
445
+ )
446
+
447
+ # predict
448
+ sparse_regr_results = sparse_regressor.predict(X_test_sparse)
449
+ dense_regr_results = dense_regressor.predict(X_test)
450
+ assert_array_almost_equal(sparse_regr_results, dense_regr_results)
451
+
452
+ # staged_predict
453
+ sparse_regr_results = sparse_regressor.staged_predict(X_test_sparse)
454
+ dense_regr_results = dense_regressor.staged_predict(X_test)
455
+ for sparse_regr_res, dense_regr_res in zip(sparse_regr_results, dense_regr_results):
456
+ assert_array_almost_equal(sparse_regr_res, dense_regr_res)
457
+
458
+ types = [i.data_type_ for i in sparse_regressor.estimators_]
459
+
460
+ assert all([t == expected_internal_type for t in types])
461
+
462
+
463
+ def test_sample_weight_adaboost_regressor():
464
+ """
465
+ AdaBoostRegressor should work without sample_weights in the base estimator
466
+ The random weighted sampling is done internally in the _boost method in
467
+ AdaBoostRegressor.
468
+ """
469
+
470
+ class DummyEstimator(BaseEstimator):
471
+ def fit(self, X, y):
472
+ pass
473
+
474
+ def predict(self, X):
475
+ return np.zeros(X.shape[0])
476
+
477
+ boost = AdaBoostRegressor(DummyEstimator(), n_estimators=3)
478
+ boost.fit(X, y_regr)
479
+ assert len(boost.estimator_weights_) == len(boost.estimator_errors_)
480
+
481
+
482
+ def test_multidimensional_X():
483
+ """
484
+ Check that the AdaBoost estimators can work with n-dimensional
485
+ data matrix
486
+ """
487
+ rng = np.random.RandomState(0)
488
+
489
+ X = rng.randn(51, 3, 3)
490
+ yc = rng.choice([0, 1], 51)
491
+ yr = rng.randn(51)
492
+
493
+ boost = AdaBoostClassifier(DummyClassifier(strategy="most_frequent"))
494
+ boost.fit(X, yc)
495
+ boost.predict(X)
496
+ boost.predict_proba(X)
497
+
498
+ boost = AdaBoostRegressor(DummyRegressor())
499
+ boost.fit(X, yr)
500
+ boost.predict(X)
501
+
502
+
503
+ def test_adaboostclassifier_without_sample_weight():
504
+ X, y = iris.data, iris.target
505
+ estimator = NoSampleWeightWrapper(DummyClassifier())
506
+ clf = AdaBoostClassifier(estimator=estimator)
507
+ err_msg = "{} doesn't support sample_weight".format(estimator.__class__.__name__)
508
+ with pytest.raises(ValueError, match=err_msg):
509
+ clf.fit(X, y)
510
+
511
+
512
+ def test_adaboostregressor_sample_weight():
513
+ # check that giving weight will have an influence on the error computed
514
+ # for a weak learner
515
+ rng = np.random.RandomState(42)
516
+ X = np.linspace(0, 100, num=1000)
517
+ y = (0.8 * X + 0.2) + (rng.rand(X.shape[0]) * 0.0001)
518
+ X = X.reshape(-1, 1)
519
+
520
+ # add an arbitrary outlier
521
+ X[-1] *= 10
522
+ y[-1] = 10000
523
+
524
+ # random_state=0 ensure that the underlying bootstrap will use the outlier
525
+ regr_no_outlier = AdaBoostRegressor(
526
+ estimator=LinearRegression(), n_estimators=1, random_state=0
527
+ )
528
+ regr_with_weight = clone(regr_no_outlier)
529
+ regr_with_outlier = clone(regr_no_outlier)
530
+
531
+ # fit 3 models:
532
+ # - a model containing the outlier
533
+ # - a model without the outlier
534
+ # - a model containing the outlier but with a null sample-weight
535
+ regr_with_outlier.fit(X, y)
536
+ regr_no_outlier.fit(X[:-1], y[:-1])
537
+ sample_weight = np.ones_like(y)
538
+ sample_weight[-1] = 0
539
+ regr_with_weight.fit(X, y, sample_weight=sample_weight)
540
+
541
+ score_with_outlier = regr_with_outlier.score(X[:-1], y[:-1])
542
+ score_no_outlier = regr_no_outlier.score(X[:-1], y[:-1])
543
+ score_with_weight = regr_with_weight.score(X[:-1], y[:-1])
544
+
545
+ assert score_with_outlier < score_no_outlier
546
+ assert score_with_outlier < score_with_weight
547
+ assert score_no_outlier == pytest.approx(score_with_weight)
548
+
549
+
550
+ def test_adaboost_consistent_predict():
551
+ # check that predict_proba and predict give consistent results
552
+ # regression test for:
553
+ # https://github.com/scikit-learn/scikit-learn/issues/14084
554
+ X_train, X_test, y_train, y_test = train_test_split(
555
+ *datasets.load_digits(return_X_y=True), random_state=42
556
+ )
557
+ model = AdaBoostClassifier(random_state=42)
558
+ model.fit(X_train, y_train)
559
+
560
+ assert_array_equal(
561
+ np.argmax(model.predict_proba(X_test), axis=1), model.predict(X_test)
562
+ )
563
+
564
+
565
+ @pytest.mark.parametrize(
566
+ "model, X, y",
567
+ [
568
+ (AdaBoostClassifier(), iris.data, iris.target),
569
+ (AdaBoostRegressor(), diabetes.data, diabetes.target),
570
+ ],
571
+ )
572
+ def test_adaboost_negative_weight_error(model, X, y):
573
+ sample_weight = np.ones_like(y)
574
+ sample_weight[-1] = -10
575
+
576
+ err_msg = "Negative values in data passed to `sample_weight`"
577
+ with pytest.raises(ValueError, match=err_msg):
578
+ model.fit(X, y, sample_weight=sample_weight)
579
+
580
+
581
+ def test_adaboost_numerically_stable_feature_importance_with_small_weights():
582
+ """Check that we don't create NaN feature importance with numerically
583
+ instable inputs.
584
+
585
+ Non-regression test for:
586
+ https://github.com/scikit-learn/scikit-learn/issues/20320
587
+ """
588
+ rng = np.random.RandomState(42)
589
+ X = rng.normal(size=(1000, 10))
590
+ y = rng.choice([0, 1], size=1000)
591
+ sample_weight = np.ones_like(y) * 1e-263
592
+ tree = DecisionTreeClassifier(max_depth=10, random_state=12)
593
+ ada_model = AdaBoostClassifier(estimator=tree, n_estimators=20, random_state=12)
594
+ ada_model.fit(X, y, sample_weight=sample_weight)
595
+ assert np.isnan(ada_model.feature_importances_).sum() == 0
596
+
597
+
598
+ def test_adaboost_decision_function(global_random_seed):
599
+ """Check that the decision function respects the symmetric constraint for weak
600
+ learners.
601
+
602
+ Non-regression test for:
603
+ https://github.com/scikit-learn/scikit-learn/issues/26520
604
+ """
605
+ n_classes = 3
606
+ X, y = datasets.make_classification(
607
+ n_classes=n_classes, n_clusters_per_class=1, random_state=global_random_seed
608
+ )
609
+ clf = AdaBoostClassifier(n_estimators=1, random_state=global_random_seed).fit(X, y)
610
+
611
+ y_score = clf.decision_function(X)
612
+ assert_allclose(y_score.sum(axis=1), 0, atol=1e-8)
613
+
614
+ # With a single learner, we expect to have a decision function in
615
+ # {1, - 1 / (n_classes - 1)}.
616
+ assert set(np.unique(y_score)) == {1, -1 / (n_classes - 1)}
617
+
618
+ # We can assert the same for staged_decision_function since we have a single learner
619
+ for y_score in clf.staged_decision_function(X):
620
+ assert_allclose(y_score.sum(axis=1), 0, atol=1e-8)
621
+
622
+ # With a single learner, we expect to have a decision function in
623
+ # {1, - 1 / (n_classes - 1)}.
624
+ assert set(np.unique(y_score)) == {1, -1 / (n_classes - 1)}
625
+
626
+ clf.set_params(n_estimators=5).fit(X, y)
627
+
628
+ y_score = clf.decision_function(X)
629
+ assert_allclose(y_score.sum(axis=1), 0, atol=1e-8)
630
+
631
+ for y_score in clf.staged_decision_function(X):
632
+ assert_allclose(y_score.sum(axis=1), 0, atol=1e-8)
633
+
634
+
635
+ # TODO(1.8): remove
636
+ def test_deprecated_algorithm():
637
+ adaboost_clf = AdaBoostClassifier(n_estimators=1, algorithm="SAMME")
638
+ with pytest.warns(FutureWarning, match="The parameter 'algorithm' is deprecated"):
639
+ adaboost_clf.fit(X, y_class)
phi4/lib/python3.10/site-packages/torch/include/ATen/ops/_cholesky_solve_helper_cpu_dispatch.h ADDED
@@ -0,0 +1,23 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ #pragma once
2
+ // @generated by torchgen/gen.py from DispatchKeyFunction.h
3
+
4
+ // NB: The implementing C++ file is RegisterDispatchKey.cpp
5
+
6
+ // The only #includes we need are for custom classes that have defaults in the C++ API
7
+ #include <c10/core/MemoryFormat.h>
8
+ #include <c10/core/Scalar.h>
9
+ #include <ATen/core/Reduction.h>
10
+
11
+ // Forward declarations of any types needed in the operator signatures.
12
+ // We can't directly include these classes because it will cause circular include dependencies.
13
+ // This file is included by TensorBody.h, which defines the Tensor class.
14
+ #include <ATen/core/ATen_fwd.h>
15
+
16
+ namespace at {
17
+
18
+ namespace cpu {
19
+
20
+ TORCH_API at::Tensor _cholesky_solve_helper(const at::Tensor & self, const at::Tensor & A, bool upper);
21
+
22
+ } // namespace cpu
23
+ } // namespace at
phi4/lib/python3.10/site-packages/torch/include/ATen/ops/_index_put_impl_cpu_dispatch.h ADDED
@@ -0,0 +1,23 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ #pragma once
2
+ // @generated by torchgen/gen.py from DispatchKeyFunction.h
3
+
4
+ // NB: The implementing C++ file is RegisterDispatchKey.cpp
5
+
6
+ // The only #includes we need are for custom classes that have defaults in the C++ API
7
+ #include <c10/core/MemoryFormat.h>
8
+ #include <c10/core/Scalar.h>
9
+ #include <ATen/core/Reduction.h>
10
+
11
+ // Forward declarations of any types needed in the operator signatures.
12
+ // We can't directly include these classes because it will cause circular include dependencies.
13
+ // This file is included by TensorBody.h, which defines the Tensor class.
14
+ #include <ATen/core/ATen_fwd.h>
15
+
16
+ namespace at {
17
+
18
+ namespace cpu {
19
+
20
+ TORCH_API at::Tensor & _index_put_impl_(at::Tensor & self, const c10::List<::std::optional<at::Tensor>> & indices, const at::Tensor & values, bool accumulate=false, bool unsafe=false);
21
+
22
+ } // namespace cpu
23
+ } // namespace at
phi4/lib/python3.10/site-packages/torch/include/ATen/ops/_jagged_to_padded_dense_forward.h ADDED
@@ -0,0 +1,47 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ #pragma once
2
+
3
+ // @generated by torchgen/gen.py from Function.h
4
+
5
+ #include <ATen/Context.h>
6
+ #include <ATen/DeviceGuard.h>
7
+ #include <ATen/TensorUtils.h>
8
+ #include <ATen/TracerMode.h>
9
+ #include <ATen/core/Generator.h>
10
+ #include <ATen/core/Reduction.h>
11
+ #include <ATen/core/Tensor.h>
12
+ #include <c10/core/Scalar.h>
13
+ #include <c10/core/Storage.h>
14
+ #include <c10/core/TensorOptions.h>
15
+ #include <c10/util/Deprecated.h>
16
+ #include <optional>
17
+
18
+
19
+
20
+ #include <ATen/ops/_jagged_to_padded_dense_forward_ops.h>
21
+
22
+ namespace at {
23
+
24
+
25
+ // aten::_jagged_to_padded_dense_forward(Tensor values, Tensor[] offsets, SymInt[] max_lengths, float padding_value=0.0) -> Tensor
26
+ inline at::Tensor _jagged_to_padded_dense_forward(const at::Tensor & values, at::TensorList offsets, at::IntArrayRef max_lengths, double padding_value=0.0) {
27
+ return at::_ops::_jagged_to_padded_dense_forward::call(values, offsets, c10::fromIntArrayRefSlow(max_lengths), padding_value);
28
+ }
29
+ namespace symint {
30
+ template <typename T, typename = std::enable_if_t<std::is_same_v<T, int64_t>>>
31
+ at::Tensor _jagged_to_padded_dense_forward(const at::Tensor & values, at::TensorList offsets, at::IntArrayRef max_lengths, double padding_value=0.0) {
32
+ return at::_ops::_jagged_to_padded_dense_forward::call(values, offsets, c10::fromIntArrayRefSlow(max_lengths), padding_value);
33
+ }
34
+ }
35
+
36
+ // aten::_jagged_to_padded_dense_forward(Tensor values, Tensor[] offsets, SymInt[] max_lengths, float padding_value=0.0) -> Tensor
37
+ inline at::Tensor _jagged_to_padded_dense_forward_symint(const at::Tensor & values, at::TensorList offsets, c10::SymIntArrayRef max_lengths, double padding_value=0.0) {
38
+ return at::_ops::_jagged_to_padded_dense_forward::call(values, offsets, max_lengths, padding_value);
39
+ }
40
+ namespace symint {
41
+ template <typename T, typename = std::enable_if_t<std::is_same_v<T, c10::SymInt>>>
42
+ at::Tensor _jagged_to_padded_dense_forward(const at::Tensor & values, at::TensorList offsets, c10::SymIntArrayRef max_lengths, double padding_value=0.0) {
43
+ return at::_ops::_jagged_to_padded_dense_forward::call(values, offsets, max_lengths, padding_value);
44
+ }
45
+ }
46
+
47
+ }
phi4/lib/python3.10/site-packages/torch/include/ATen/ops/_linalg_eigvals_cuda_dispatch.h ADDED
@@ -0,0 +1,23 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ #pragma once
2
+ // @generated by torchgen/gen.py from DispatchKeyFunction.h
3
+
4
+ // NB: The implementing C++ file is RegisterDispatchKey.cpp
5
+
6
+ // The only #includes we need are for custom classes that have defaults in the C++ API
7
+ #include <c10/core/MemoryFormat.h>
8
+ #include <c10/core/Scalar.h>
9
+ #include <ATen/core/Reduction.h>
10
+
11
+ // Forward declarations of any types needed in the operator signatures.
12
+ // We can't directly include these classes because it will cause circular include dependencies.
13
+ // This file is included by TensorBody.h, which defines the Tensor class.
14
+ #include <ATen/core/ATen_fwd.h>
15
+
16
+ namespace at {
17
+
18
+ namespace cuda {
19
+
20
+ TORCH_API at::Tensor _linalg_eigvals(const at::Tensor & self);
21
+
22
+ } // namespace cuda
23
+ } // namespace at
phi4/lib/python3.10/site-packages/torch/include/ATen/ops/_scaled_dot_product_cudnn_attention_native.h ADDED
@@ -0,0 +1,21 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ #pragma once
2
+
3
+ // @generated by torchgen/gen.py from NativeFunction.h
4
+
5
+ #include <c10/core/Scalar.h>
6
+ #include <c10/core/Storage.h>
7
+ #include <c10/core/TensorOptions.h>
8
+ #include <c10/util/Deprecated.h>
9
+ #include <optional>
10
+ #include <c10/core/QScheme.h>
11
+ #include <ATen/core/Reduction.h>
12
+ #include <ATen/core/Tensor.h>
13
+ #include <tuple>
14
+ #include <vector>
15
+
16
+
17
+ namespace at {
18
+ namespace native {
19
+ TORCH_API ::std::tuple<at::Tensor,at::Tensor,at::Tensor,at::Tensor,c10::SymInt,c10::SymInt,at::Tensor,at::Tensor,at::Tensor> _scaled_dot_product_cudnn_attention_cuda(const at::Tensor & query, const at::Tensor & key, const at::Tensor & value, const ::std::optional<at::Tensor> & attn_bias, bool compute_log_sumexp, double dropout_p=0.0, bool is_causal=false, bool return_debug_mask=false, ::std::optional<double> scale=::std::nullopt);
20
+ } // namespace native
21
+ } // namespace at