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"""Gradient Boosted Regression Trees. |
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This module contains methods for fitting gradient boosted regression trees for |
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both classification and regression. |
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The module structure is the following: |
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- The ``BaseGradientBoosting`` base class implements a common ``fit`` method |
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for all the estimators in the module. Regression and classification |
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only differ in the concrete ``LossFunction`` used. |
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|
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- ``GradientBoostingClassifier`` implements gradient boosting for |
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classification problems. |
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- ``GradientBoostingRegressor`` implements gradient boosting for |
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regression problems. |
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""" |
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import math |
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import warnings |
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from abc import ABCMeta, abstractmethod |
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from numbers import Integral, Real |
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from time import time |
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import numpy as np |
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from scipy.sparse import csc_matrix, csr_matrix, issparse |
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from .._loss.loss import ( |
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_LOSSES, |
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AbsoluteError, |
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ExponentialLoss, |
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HalfBinomialLoss, |
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HalfMultinomialLoss, |
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HalfSquaredError, |
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HuberLoss, |
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PinballLoss, |
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) |
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from ..base import ClassifierMixin, RegressorMixin, _fit_context, is_classifier |
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from ..dummy import DummyClassifier, DummyRegressor |
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from ..exceptions import NotFittedError |
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from ..model_selection import train_test_split |
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from ..preprocessing import LabelEncoder |
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from ..tree import DecisionTreeRegressor |
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from ..tree._tree import DOUBLE, DTYPE, TREE_LEAF |
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from ..utils import check_array, check_random_state, column_or_1d |
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from ..utils._param_validation import HasMethods, Interval, StrOptions |
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from ..utils.multiclass import check_classification_targets |
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from ..utils.stats import _weighted_percentile |
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from ..utils.validation import _check_sample_weight, check_is_fitted, validate_data |
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from ._base import BaseEnsemble |
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from ._gradient_boosting import _random_sample_mask, predict_stage, predict_stages |
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_LOSSES = _LOSSES.copy() |
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_LOSSES.update( |
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{ |
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"quantile": PinballLoss, |
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"huber": HuberLoss, |
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} |
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) |
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def _safe_divide(numerator, denominator): |
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"""Prevents overflow and division by zero.""" |
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if abs(denominator) < 1e-150: |
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return 0.0 |
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else: |
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result = float(numerator) / float(denominator) |
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result = float(numerator) / float(denominator) |
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if math.isinf(result): |
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warnings.warn("overflow encountered in _safe_divide", RuntimeWarning) |
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return result |
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def _init_raw_predictions(X, estimator, loss, use_predict_proba): |
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"""Return the initial raw predictions. |
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Parameters |
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---------- |
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X : ndarray of shape (n_samples, n_features) |
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The data array. |
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estimator : object |
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The estimator to use to compute the predictions. |
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loss : BaseLoss |
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An instance of a loss function class. |
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use_predict_proba : bool |
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Whether estimator.predict_proba is used instead of estimator.predict. |
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Returns |
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------- |
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raw_predictions : ndarray of shape (n_samples, K) |
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The initial raw predictions. K is equal to 1 for binary |
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classification and regression, and equal to the number of classes |
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for multiclass classification. ``raw_predictions`` is casted |
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into float64. |
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""" |
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if use_predict_proba: |
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predictions = estimator.predict_proba(X) |
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if not loss.is_multiclass: |
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predictions = predictions[:, 1] |
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eps = np.finfo(np.float32).eps |
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predictions = np.clip(predictions, eps, 1 - eps, dtype=np.float64) |
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else: |
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predictions = estimator.predict(X).astype(np.float64) |
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if predictions.ndim == 1: |
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return loss.link.link(predictions).reshape(-1, 1) |
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else: |
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return loss.link.link(predictions) |
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def _update_terminal_regions( |
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loss, |
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tree, |
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X, |
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y, |
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neg_gradient, |
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raw_prediction, |
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sample_weight, |
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sample_mask, |
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learning_rate=0.1, |
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k=0, |
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): |
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"""Update the leaf values to be predicted by the tree and raw_prediction. |
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The current raw predictions of the model (of this stage) are updated. |
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Additionally, the terminal regions (=leaves) of the given tree are updated as well. |
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This corresponds to the line search step in "Greedy Function Approximation" by |
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Friedman, Algorithm 1 step 5. |
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Update equals: |
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argmin_{x} loss(y_true, raw_prediction_old + x * tree.value) |
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For non-trivial cases like the Binomial loss, the update has no closed formula and |
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is an approximation, again, see the Friedman paper. |
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Also note that the update formula for the SquaredError is the identity. Therefore, |
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in this case, the leaf values don't need an update and only the raw_predictions are |
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updated (with the learning rate included). |
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Parameters |
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---------- |
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loss : BaseLoss |
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tree : tree.Tree |
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The tree object. |
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X : ndarray of shape (n_samples, n_features) |
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The data array. |
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y : ndarray of shape (n_samples,) |
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The target labels. |
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neg_gradient : ndarray of shape (n_samples,) |
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The negative gradient. |
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raw_prediction : ndarray of shape (n_samples, n_trees_per_iteration) |
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The raw predictions (i.e. values from the tree leaves) of the |
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tree ensemble at iteration ``i - 1``. |
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sample_weight : ndarray of shape (n_samples,) |
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The weight of each sample. |
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sample_mask : ndarray of shape (n_samples,) |
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The sample mask to be used. |
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learning_rate : float, default=0.1 |
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Learning rate shrinks the contribution of each tree by |
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``learning_rate``. |
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k : int, default=0 |
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The index of the estimator being updated. |
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""" |
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terminal_regions = tree.apply(X) |
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if not isinstance(loss, HalfSquaredError): |
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masked_terminal_regions = terminal_regions.copy() |
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masked_terminal_regions[~sample_mask] = -1 |
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if isinstance(loss, HalfBinomialLoss): |
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def compute_update(y_, indices, neg_gradient, raw_prediction, k): |
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neg_g = neg_gradient.take(indices, axis=0) |
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prob = y_ - neg_g |
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numerator = np.average(neg_g, weights=sw) |
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denominator = np.average(prob * (1 - prob), weights=sw) |
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return _safe_divide(numerator, denominator) |
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elif isinstance(loss, HalfMultinomialLoss): |
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def compute_update(y_, indices, neg_gradient, raw_prediction, k): |
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neg_g = neg_gradient.take(indices, axis=0) |
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prob = y_ - neg_g |
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K = loss.n_classes |
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numerator = np.average(neg_g, weights=sw) |
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numerator *= (K - 1) / K |
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denominator = np.average(prob * (1 - prob), weights=sw) |
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return _safe_divide(numerator, denominator) |
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elif isinstance(loss, ExponentialLoss): |
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def compute_update(y_, indices, neg_gradient, raw_prediction, k): |
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neg_g = neg_gradient.take(indices, axis=0) |
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numerator = np.average(neg_g, weights=sw) |
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hessian = neg_g.copy() |
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hessian[y_ == 0] *= -1 |
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denominator = np.average(hessian, weights=sw) |
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return _safe_divide(numerator, denominator) |
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else: |
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def compute_update(y_, indices, neg_gradient, raw_prediction, k): |
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return loss.fit_intercept_only( |
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y_true=y_ - raw_prediction[indices, k], |
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sample_weight=sw, |
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) |
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for leaf in np.nonzero(tree.children_left == TREE_LEAF)[0]: |
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indices = np.nonzero(masked_terminal_regions == leaf)[ |
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0 |
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] |
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y_ = y.take(indices, axis=0) |
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sw = None if sample_weight is None else sample_weight[indices] |
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update = compute_update(y_, indices, neg_gradient, raw_prediction, k) |
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tree.value[leaf, 0, 0] = update |
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raw_prediction[:, k] += learning_rate * tree.value[:, 0, 0].take( |
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terminal_regions, axis=0 |
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) |
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def set_huber_delta(loss, y_true, raw_prediction, sample_weight=None): |
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"""Calculate and set self.closs.delta based on self.quantile.""" |
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abserr = np.abs(y_true - raw_prediction.squeeze()) |
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delta = _weighted_percentile(abserr, sample_weight, 100 * loss.quantile) |
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loss.closs.delta = float(delta) |
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class VerboseReporter: |
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"""Reports verbose output to stdout. |
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Parameters |
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---------- |
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verbose : int |
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Verbosity level. If ``verbose==1`` output is printed once in a while |
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(when iteration mod verbose_mod is zero).; if larger than 1 then output |
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is printed for each update. |
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""" |
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def __init__(self, verbose): |
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self.verbose = verbose |
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def init(self, est, begin_at_stage=0): |
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"""Initialize reporter |
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Parameters |
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---------- |
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est : Estimator |
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The estimator |
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begin_at_stage : int, default=0 |
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stage at which to begin reporting |
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""" |
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header_fields = ["Iter", "Train Loss"] |
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verbose_fmt = ["{iter:>10d}", "{train_score:>16.4f}"] |
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if est.subsample < 1: |
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header_fields.append("OOB Improve") |
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verbose_fmt.append("{oob_impr:>16.4f}") |
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header_fields.append("Remaining Time") |
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verbose_fmt.append("{remaining_time:>16s}") |
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print(("%10s " + "%16s " * (len(header_fields) - 1)) % tuple(header_fields)) |
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self.verbose_fmt = " ".join(verbose_fmt) |
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self.verbose_mod = 1 |
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self.start_time = time() |
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self.begin_at_stage = begin_at_stage |
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def update(self, j, est): |
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"""Update reporter with new iteration. |
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Parameters |
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---------- |
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j : int |
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The new iteration. |
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est : Estimator |
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The estimator. |
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""" |
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do_oob = est.subsample < 1 |
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i = j - self.begin_at_stage |
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if (i + 1) % self.verbose_mod == 0: |
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oob_impr = est.oob_improvement_[j] if do_oob else 0 |
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remaining_time = ( |
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(est.n_estimators - (j + 1)) * (time() - self.start_time) / float(i + 1) |
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) |
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if remaining_time > 60: |
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remaining_time = "{0:.2f}m".format(remaining_time / 60.0) |
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else: |
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remaining_time = "{0:.2f}s".format(remaining_time) |
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print( |
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self.verbose_fmt.format( |
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iter=j + 1, |
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train_score=est.train_score_[j], |
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oob_impr=oob_impr, |
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remaining_time=remaining_time, |
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) |
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) |
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if self.verbose == 1 and ((i + 1) // (self.verbose_mod * 10) > 0): |
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self.verbose_mod *= 10 |
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class BaseGradientBoosting(BaseEnsemble, metaclass=ABCMeta): |
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"""Abstract base class for Gradient Boosting.""" |
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_parameter_constraints: dict = { |
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**DecisionTreeRegressor._parameter_constraints, |
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"learning_rate": [Interval(Real, 0.0, None, closed="left")], |
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"n_estimators": [Interval(Integral, 1, None, closed="left")], |
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"criterion": [StrOptions({"friedman_mse", "squared_error"})], |
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"subsample": [Interval(Real, 0.0, 1.0, closed="right")], |
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"verbose": ["verbose"], |
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"warm_start": ["boolean"], |
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"validation_fraction": [Interval(Real, 0.0, 1.0, closed="neither")], |
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"n_iter_no_change": [Interval(Integral, 1, None, closed="left"), None], |
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"tol": [Interval(Real, 0.0, None, closed="left")], |
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} |
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_parameter_constraints.pop("splitter") |
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_parameter_constraints.pop("monotonic_cst") |
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|
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@abstractmethod |
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def __init__( |
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self, |
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*, |
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loss, |
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learning_rate, |
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n_estimators, |
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criterion, |
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min_samples_split, |
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min_samples_leaf, |
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min_weight_fraction_leaf, |
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max_depth, |
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min_impurity_decrease, |
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init, |
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subsample, |
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max_features, |
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ccp_alpha, |
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random_state, |
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alpha=0.9, |
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verbose=0, |
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max_leaf_nodes=None, |
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warm_start=False, |
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validation_fraction=0.1, |
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n_iter_no_change=None, |
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tol=1e-4, |
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): |
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self.n_estimators = n_estimators |
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self.learning_rate = learning_rate |
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self.loss = loss |
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self.criterion = criterion |
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self.min_samples_split = min_samples_split |
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self.min_samples_leaf = min_samples_leaf |
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self.min_weight_fraction_leaf = min_weight_fraction_leaf |
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self.subsample = subsample |
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self.max_features = max_features |
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self.max_depth = max_depth |
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self.min_impurity_decrease = min_impurity_decrease |
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self.ccp_alpha = ccp_alpha |
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self.init = init |
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self.random_state = random_state |
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self.alpha = alpha |
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self.verbose = verbose |
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self.max_leaf_nodes = max_leaf_nodes |
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self.warm_start = warm_start |
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self.validation_fraction = validation_fraction |
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self.n_iter_no_change = n_iter_no_change |
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self.tol = tol |
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@abstractmethod |
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def _encode_y(self, y=None, sample_weight=None): |
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"""Called by fit to validate and encode y.""" |
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@abstractmethod |
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def _get_loss(self, sample_weight): |
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"""Get loss object from sklearn._loss.loss.""" |
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|
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def _fit_stage( |
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self, |
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i, |
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X, |
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y, |
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raw_predictions, |
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sample_weight, |
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sample_mask, |
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random_state, |
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X_csc=None, |
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X_csr=None, |
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): |
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"""Fit another stage of ``n_trees_per_iteration_`` trees.""" |
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original_y = y |
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if isinstance(self._loss, HuberLoss): |
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set_huber_delta( |
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loss=self._loss, |
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y_true=y, |
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raw_prediction=raw_predictions, |
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sample_weight=sample_weight, |
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) |
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neg_gradient = -self._loss.gradient( |
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y_true=y, |
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raw_prediction=raw_predictions, |
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sample_weight=None, |
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) |
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if neg_gradient.ndim == 1: |
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neg_g_view = neg_gradient.reshape((-1, 1)) |
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else: |
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neg_g_view = neg_gradient |
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for k in range(self.n_trees_per_iteration_): |
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if self._loss.is_multiclass: |
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y = np.array(original_y == k, dtype=np.float64) |
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tree = DecisionTreeRegressor( |
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criterion=self.criterion, |
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splitter="best", |
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max_depth=self.max_depth, |
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min_samples_split=self.min_samples_split, |
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min_samples_leaf=self.min_samples_leaf, |
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min_weight_fraction_leaf=self.min_weight_fraction_leaf, |
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min_impurity_decrease=self.min_impurity_decrease, |
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max_features=self.max_features, |
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max_leaf_nodes=self.max_leaf_nodes, |
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random_state=random_state, |
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ccp_alpha=self.ccp_alpha, |
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) |
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if self.subsample < 1.0: |
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|
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sample_weight = sample_weight * sample_mask.astype(np.float64) |
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X = X_csc if X_csc is not None else X |
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tree.fit( |
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X, neg_g_view[:, k], sample_weight=sample_weight, check_input=False |
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) |
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X_for_tree_update = X_csr if X_csr is not None else X |
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_update_terminal_regions( |
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self._loss, |
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tree.tree_, |
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X_for_tree_update, |
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y, |
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neg_g_view[:, k], |
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raw_predictions, |
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sample_weight, |
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sample_mask, |
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learning_rate=self.learning_rate, |
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k=k, |
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) |
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self.estimators_[i, k] = tree |
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return raw_predictions |
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|
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def _set_max_features(self): |
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"""Set self.max_features_.""" |
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if isinstance(self.max_features, str): |
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if self.max_features == "auto": |
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if is_classifier(self): |
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max_features = max(1, int(np.sqrt(self.n_features_in_))) |
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else: |
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max_features = self.n_features_in_ |
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elif self.max_features == "sqrt": |
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max_features = max(1, int(np.sqrt(self.n_features_in_))) |
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else: |
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max_features = max(1, int(np.log2(self.n_features_in_))) |
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elif self.max_features is None: |
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max_features = self.n_features_in_ |
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elif isinstance(self.max_features, Integral): |
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max_features = self.max_features |
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else: |
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max_features = max(1, int(self.max_features * self.n_features_in_)) |
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self.max_features_ = max_features |
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|
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def _init_state(self): |
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"""Initialize model state and allocate model state data structures.""" |
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|
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self.init_ = self.init |
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if self.init_ is None: |
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if is_classifier(self): |
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self.init_ = DummyClassifier(strategy="prior") |
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elif isinstance(self._loss, (AbsoluteError, HuberLoss)): |
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self.init_ = DummyRegressor(strategy="quantile", quantile=0.5) |
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elif isinstance(self._loss, PinballLoss): |
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self.init_ = DummyRegressor(strategy="quantile", quantile=self.alpha) |
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else: |
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self.init_ = DummyRegressor(strategy="mean") |
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self.estimators_ = np.empty( |
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(self.n_estimators, self.n_trees_per_iteration_), dtype=object |
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) |
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self.train_score_ = np.zeros((self.n_estimators,), dtype=np.float64) |
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|
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if self.subsample < 1.0: |
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self.oob_improvement_ = np.zeros((self.n_estimators), dtype=np.float64) |
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self.oob_scores_ = np.zeros((self.n_estimators), dtype=np.float64) |
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self.oob_score_ = np.nan |
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|
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def _clear_state(self): |
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"""Clear the state of the gradient boosting model.""" |
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if hasattr(self, "estimators_"): |
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self.estimators_ = np.empty((0, 0), dtype=object) |
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if hasattr(self, "train_score_"): |
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del self.train_score_ |
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if hasattr(self, "oob_improvement_"): |
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del self.oob_improvement_ |
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if hasattr(self, "oob_scores_"): |
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del self.oob_scores_ |
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if hasattr(self, "oob_score_"): |
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del self.oob_score_ |
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if hasattr(self, "init_"): |
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del self.init_ |
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if hasattr(self, "_rng"): |
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del self._rng |
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|
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def _resize_state(self): |
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"""Add additional ``n_estimators`` entries to all attributes.""" |
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|
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total_n_estimators = self.n_estimators |
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if total_n_estimators < self.estimators_.shape[0]: |
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raise ValueError( |
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"resize with smaller n_estimators %d < %d" |
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% (total_n_estimators, self.estimators_[0]) |
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) |
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self.estimators_ = np.resize( |
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self.estimators_, (total_n_estimators, self.n_trees_per_iteration_) |
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) |
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self.train_score_ = np.resize(self.train_score_, total_n_estimators) |
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if self.subsample < 1 or hasattr(self, "oob_improvement_"): |
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|
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if hasattr(self, "oob_improvement_"): |
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self.oob_improvement_ = np.resize( |
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self.oob_improvement_, total_n_estimators |
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) |
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self.oob_scores_ = np.resize(self.oob_scores_, total_n_estimators) |
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self.oob_score_ = np.nan |
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else: |
|
self.oob_improvement_ = np.zeros( |
|
(total_n_estimators,), dtype=np.float64 |
|
) |
|
self.oob_scores_ = np.zeros((total_n_estimators,), dtype=np.float64) |
|
self.oob_score_ = np.nan |
|
|
|
def _is_fitted(self): |
|
return len(getattr(self, "estimators_", [])) > 0 |
|
|
|
def _check_initialized(self): |
|
"""Check that the estimator is initialized, raising an error if not.""" |
|
check_is_fitted(self) |
|
|
|
@_fit_context( |
|
|
|
prefer_skip_nested_validation=False |
|
) |
|
def fit(self, X, y, sample_weight=None, monitor=None): |
|
"""Fit the gradient boosting model. |
|
|
|
Parameters |
|
---------- |
|
X : {array-like, sparse matrix} of shape (n_samples, n_features) |
|
The input samples. Internally, it will be converted to |
|
``dtype=np.float32`` and if a sparse matrix is provided |
|
to a sparse ``csr_matrix``. |
|
|
|
y : array-like of shape (n_samples,) |
|
Target values (strings or integers in classification, real numbers |
|
in regression) |
|
For classification, labels must correspond to classes. |
|
|
|
sample_weight : array-like of shape (n_samples,), default=None |
|
Sample weights. If None, then samples are equally weighted. Splits |
|
that would create child nodes with net zero or negative weight are |
|
ignored while searching for a split in each node. In the case of |
|
classification, splits are also ignored if they would result in any |
|
single class carrying a negative weight in either child node. |
|
|
|
monitor : callable, default=None |
|
The monitor is called after each iteration with the current |
|
iteration, a reference to the estimator and the local variables of |
|
``_fit_stages`` as keyword arguments ``callable(i, self, |
|
locals())``. If the callable returns ``True`` the fitting procedure |
|
is stopped. The monitor can be used for various things such as |
|
computing held-out estimates, early stopping, model introspect, and |
|
snapshotting. |
|
|
|
Returns |
|
------- |
|
self : object |
|
Fitted estimator. |
|
""" |
|
if not self.warm_start: |
|
self._clear_state() |
|
|
|
|
|
|
|
|
|
|
|
X, y = validate_data( |
|
self, |
|
X, |
|
y, |
|
accept_sparse=["csr", "csc", "coo"], |
|
dtype=DTYPE, |
|
multi_output=True, |
|
) |
|
sample_weight_is_none = sample_weight is None |
|
sample_weight = _check_sample_weight(sample_weight, X) |
|
if sample_weight_is_none: |
|
y = self._encode_y(y=y, sample_weight=None) |
|
else: |
|
y = self._encode_y(y=y, sample_weight=sample_weight) |
|
y = column_or_1d(y, warn=True) |
|
|
|
self._set_max_features() |
|
|
|
|
|
self._loss = self._get_loss(sample_weight=sample_weight) |
|
|
|
if self.n_iter_no_change is not None: |
|
stratify = y if is_classifier(self) else None |
|
( |
|
X_train, |
|
X_val, |
|
y_train, |
|
y_val, |
|
sample_weight_train, |
|
sample_weight_val, |
|
) = train_test_split( |
|
X, |
|
y, |
|
sample_weight, |
|
random_state=self.random_state, |
|
test_size=self.validation_fraction, |
|
stratify=stratify, |
|
) |
|
if is_classifier(self): |
|
if self.n_classes_ != np.unique(y_train).shape[0]: |
|
|
|
|
|
|
|
|
|
raise ValueError( |
|
"The training data after the early stopping split " |
|
"is missing some classes. Try using another random " |
|
"seed." |
|
) |
|
else: |
|
X_train, y_train, sample_weight_train = X, y, sample_weight |
|
X_val = y_val = sample_weight_val = None |
|
|
|
n_samples = X_train.shape[0] |
|
|
|
|
|
if not self._is_fitted(): |
|
|
|
self._init_state() |
|
|
|
|
|
if self.init_ == "zero": |
|
raw_predictions = np.zeros( |
|
shape=(n_samples, self.n_trees_per_iteration_), |
|
dtype=np.float64, |
|
) |
|
else: |
|
|
|
if sample_weight_is_none: |
|
self.init_.fit(X_train, y_train) |
|
else: |
|
msg = ( |
|
"The initial estimator {} does not support sample " |
|
"weights.".format(self.init_.__class__.__name__) |
|
) |
|
try: |
|
self.init_.fit( |
|
X_train, y_train, sample_weight=sample_weight_train |
|
) |
|
except TypeError as e: |
|
if "unexpected keyword argument 'sample_weight'" in str(e): |
|
|
|
raise ValueError(msg) from e |
|
else: |
|
raise |
|
except ValueError as e: |
|
if ( |
|
"pass parameters to specific steps of " |
|
"your pipeline using the " |
|
"stepname__parameter" in str(e) |
|
): |
|
raise ValueError(msg) from e |
|
else: |
|
raise |
|
|
|
raw_predictions = _init_raw_predictions( |
|
X_train, self.init_, self._loss, is_classifier(self) |
|
) |
|
|
|
begin_at_stage = 0 |
|
|
|
|
|
self._rng = check_random_state(self.random_state) |
|
|
|
|
|
else: |
|
|
|
|
|
if self.n_estimators < self.estimators_.shape[0]: |
|
raise ValueError( |
|
"n_estimators=%d must be larger or equal to " |
|
"estimators_.shape[0]=%d when " |
|
"warm_start==True" % (self.n_estimators, self.estimators_.shape[0]) |
|
) |
|
begin_at_stage = self.estimators_.shape[0] |
|
|
|
|
|
|
|
X_train = check_array( |
|
X_train, |
|
dtype=DTYPE, |
|
order="C", |
|
accept_sparse="csr", |
|
ensure_all_finite=False, |
|
) |
|
raw_predictions = self._raw_predict(X_train) |
|
self._resize_state() |
|
|
|
|
|
n_stages = self._fit_stages( |
|
X_train, |
|
y_train, |
|
raw_predictions, |
|
sample_weight_train, |
|
self._rng, |
|
X_val, |
|
y_val, |
|
sample_weight_val, |
|
begin_at_stage, |
|
monitor, |
|
) |
|
|
|
|
|
if n_stages != self.estimators_.shape[0]: |
|
self.estimators_ = self.estimators_[:n_stages] |
|
self.train_score_ = self.train_score_[:n_stages] |
|
if hasattr(self, "oob_improvement_"): |
|
|
|
self.oob_improvement_ = self.oob_improvement_[:n_stages] |
|
self.oob_scores_ = self.oob_scores_[:n_stages] |
|
self.oob_score_ = self.oob_scores_[-1] |
|
self.n_estimators_ = n_stages |
|
return self |
|
|
|
def _fit_stages( |
|
self, |
|
X, |
|
y, |
|
raw_predictions, |
|
sample_weight, |
|
random_state, |
|
X_val, |
|
y_val, |
|
sample_weight_val, |
|
begin_at_stage=0, |
|
monitor=None, |
|
): |
|
"""Iteratively fits the stages. |
|
|
|
For each stage it computes the progress (OOB, train score) |
|
and delegates to ``_fit_stage``. |
|
Returns the number of stages fit; might differ from ``n_estimators`` |
|
due to early stopping. |
|
""" |
|
n_samples = X.shape[0] |
|
do_oob = self.subsample < 1.0 |
|
sample_mask = np.ones((n_samples,), dtype=bool) |
|
n_inbag = max(1, int(self.subsample * n_samples)) |
|
|
|
if self.verbose: |
|
verbose_reporter = VerboseReporter(verbose=self.verbose) |
|
verbose_reporter.init(self, begin_at_stage) |
|
|
|
X_csc = csc_matrix(X) if issparse(X) else None |
|
X_csr = csr_matrix(X) if issparse(X) else None |
|
|
|
if self.n_iter_no_change is not None: |
|
loss_history = np.full(self.n_iter_no_change, np.inf) |
|
|
|
|
|
y_val_pred_iter = self._staged_raw_predict(X_val, check_input=False) |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
if isinstance( |
|
self._loss, |
|
( |
|
HalfSquaredError, |
|
HalfBinomialLoss, |
|
), |
|
): |
|
factor = 2 |
|
else: |
|
factor = 1 |
|
|
|
|
|
i = begin_at_stage |
|
for i in range(begin_at_stage, self.n_estimators): |
|
|
|
if do_oob: |
|
sample_mask = _random_sample_mask(n_samples, n_inbag, random_state) |
|
y_oob_masked = y[~sample_mask] |
|
sample_weight_oob_masked = sample_weight[~sample_mask] |
|
if i == 0: |
|
initial_loss = factor * self._loss( |
|
y_true=y_oob_masked, |
|
raw_prediction=raw_predictions[~sample_mask], |
|
sample_weight=sample_weight_oob_masked, |
|
) |
|
|
|
|
|
raw_predictions = self._fit_stage( |
|
i, |
|
X, |
|
y, |
|
raw_predictions, |
|
sample_weight, |
|
sample_mask, |
|
random_state, |
|
X_csc=X_csc, |
|
X_csr=X_csr, |
|
) |
|
|
|
|
|
if do_oob: |
|
self.train_score_[i] = factor * self._loss( |
|
y_true=y[sample_mask], |
|
raw_prediction=raw_predictions[sample_mask], |
|
sample_weight=sample_weight[sample_mask], |
|
) |
|
self.oob_scores_[i] = factor * self._loss( |
|
y_true=y_oob_masked, |
|
raw_prediction=raw_predictions[~sample_mask], |
|
sample_weight=sample_weight_oob_masked, |
|
) |
|
previous_loss = initial_loss if i == 0 else self.oob_scores_[i - 1] |
|
self.oob_improvement_[i] = previous_loss - self.oob_scores_[i] |
|
self.oob_score_ = self.oob_scores_[-1] |
|
else: |
|
|
|
self.train_score_[i] = factor * self._loss( |
|
y_true=y, |
|
raw_prediction=raw_predictions, |
|
sample_weight=sample_weight, |
|
) |
|
|
|
if self.verbose > 0: |
|
verbose_reporter.update(i, self) |
|
|
|
if monitor is not None: |
|
early_stopping = monitor(i, self, locals()) |
|
if early_stopping: |
|
break |
|
|
|
|
|
|
|
if self.n_iter_no_change is not None: |
|
|
|
|
|
validation_loss = factor * self._loss( |
|
y_val, next(y_val_pred_iter), sample_weight_val |
|
) |
|
|
|
|
|
|
|
if np.any(validation_loss + self.tol < loss_history): |
|
loss_history[i % len(loss_history)] = validation_loss |
|
else: |
|
break |
|
|
|
return i + 1 |
|
|
|
def _make_estimator(self, append=True): |
|
|
|
raise NotImplementedError() |
|
|
|
def _raw_predict_init(self, X): |
|
"""Check input and compute raw predictions of the init estimator.""" |
|
self._check_initialized() |
|
X = self.estimators_[0, 0]._validate_X_predict(X, check_input=True) |
|
if self.init_ == "zero": |
|
raw_predictions = np.zeros( |
|
shape=(X.shape[0], self.n_trees_per_iteration_), dtype=np.float64 |
|
) |
|
else: |
|
raw_predictions = _init_raw_predictions( |
|
X, self.init_, self._loss, is_classifier(self) |
|
) |
|
return raw_predictions |
|
|
|
def _raw_predict(self, X): |
|
"""Return the sum of the trees raw predictions (+ init estimator).""" |
|
check_is_fitted(self) |
|
raw_predictions = self._raw_predict_init(X) |
|
predict_stages(self.estimators_, X, self.learning_rate, raw_predictions) |
|
return raw_predictions |
|
|
|
def _staged_raw_predict(self, X, check_input=True): |
|
"""Compute raw predictions of ``X`` for each iteration. |
|
|
|
This method allows monitoring (i.e. determine error on testing set) |
|
after each stage. |
|
|
|
Parameters |
|
---------- |
|
X : {array-like, sparse matrix} of shape (n_samples, n_features) |
|
The input samples. Internally, it will be converted to |
|
``dtype=np.float32`` and if a sparse matrix is provided |
|
to a sparse ``csr_matrix``. |
|
|
|
check_input : bool, default=True |
|
If False, the input arrays X will not be checked. |
|
|
|
Returns |
|
------- |
|
raw_predictions : generator of ndarray of shape (n_samples, k) |
|
The raw predictions of the input samples. The order of the |
|
classes corresponds to that in the attribute :term:`classes_`. |
|
Regression and binary classification are special cases with |
|
``k == 1``, otherwise ``k==n_classes``. |
|
""" |
|
if check_input: |
|
X = validate_data( |
|
self, X, dtype=DTYPE, order="C", accept_sparse="csr", reset=False |
|
) |
|
raw_predictions = self._raw_predict_init(X) |
|
for i in range(self.estimators_.shape[0]): |
|
predict_stage(self.estimators_, i, X, self.learning_rate, raw_predictions) |
|
yield raw_predictions.copy() |
|
|
|
@property |
|
def feature_importances_(self): |
|
"""The impurity-based feature importances. |
|
|
|
The higher, the more important the feature. |
|
The importance of a feature is computed as the (normalized) |
|
total reduction of the criterion brought by that feature. It is also |
|
known as the Gini importance. |
|
|
|
Warning: impurity-based feature importances can be misleading for |
|
high cardinality features (many unique values). See |
|
:func:`sklearn.inspection.permutation_importance` as an alternative. |
|
|
|
Returns |
|
------- |
|
feature_importances_ : ndarray of shape (n_features,) |
|
The values of this array sum to 1, unless all trees are single node |
|
trees consisting of only the root node, in which case it will be an |
|
array of zeros. |
|
""" |
|
self._check_initialized() |
|
|
|
relevant_trees = [ |
|
tree |
|
for stage in self.estimators_ |
|
for tree in stage |
|
if tree.tree_.node_count > 1 |
|
] |
|
if not relevant_trees: |
|
|
|
return np.zeros(shape=self.n_features_in_, dtype=np.float64) |
|
|
|
relevant_feature_importances = [ |
|
tree.tree_.compute_feature_importances(normalize=False) |
|
for tree in relevant_trees |
|
] |
|
avg_feature_importances = np.mean( |
|
relevant_feature_importances, axis=0, dtype=np.float64 |
|
) |
|
return avg_feature_importances / np.sum(avg_feature_importances) |
|
|
|
def _compute_partial_dependence_recursion(self, grid, target_features): |
|
"""Fast partial dependence computation. |
|
|
|
Parameters |
|
---------- |
|
grid : ndarray of shape (n_samples, n_target_features), dtype=np.float32 |
|
The grid points on which the partial dependence should be |
|
evaluated. |
|
target_features : ndarray of shape (n_target_features,), dtype=np.intp |
|
The set of target features for which the partial dependence |
|
should be evaluated. |
|
|
|
Returns |
|
------- |
|
averaged_predictions : ndarray of shape \ |
|
(n_trees_per_iteration_, n_samples) |
|
The value of the partial dependence function on each grid point. |
|
""" |
|
if self.init is not None: |
|
warnings.warn( |
|
"Using recursion method with a non-constant init predictor " |
|
"will lead to incorrect partial dependence values. " |
|
"Got init=%s." % self.init, |
|
UserWarning, |
|
) |
|
grid = np.asarray(grid, dtype=DTYPE, order="C") |
|
n_estimators, n_trees_per_stage = self.estimators_.shape |
|
averaged_predictions = np.zeros( |
|
(n_trees_per_stage, grid.shape[0]), dtype=np.float64, order="C" |
|
) |
|
target_features = np.asarray(target_features, dtype=np.intp, order="C") |
|
|
|
for stage in range(n_estimators): |
|
for k in range(n_trees_per_stage): |
|
tree = self.estimators_[stage, k].tree_ |
|
tree.compute_partial_dependence( |
|
grid, target_features, averaged_predictions[k] |
|
) |
|
averaged_predictions *= self.learning_rate |
|
|
|
return averaged_predictions |
|
|
|
def apply(self, X): |
|
"""Apply trees in the ensemble to X, return leaf indices. |
|
|
|
.. versionadded:: 0.17 |
|
|
|
Parameters |
|
---------- |
|
X : {array-like, sparse matrix} of shape (n_samples, n_features) |
|
The input samples. Internally, its dtype will be converted to |
|
``dtype=np.float32``. If a sparse matrix is provided, it will |
|
be converted to a sparse ``csr_matrix``. |
|
|
|
Returns |
|
------- |
|
X_leaves : array-like of shape (n_samples, n_estimators, n_classes) |
|
For each datapoint x in X and for each tree in the ensemble, |
|
return the index of the leaf x ends up in each estimator. |
|
In the case of binary classification n_classes is 1. |
|
""" |
|
|
|
self._check_initialized() |
|
X = self.estimators_[0, 0]._validate_X_predict(X, check_input=True) |
|
|
|
|
|
|
|
n_estimators, n_classes = self.estimators_.shape |
|
leaves = np.zeros((X.shape[0], n_estimators, n_classes)) |
|
|
|
for i in range(n_estimators): |
|
for j in range(n_classes): |
|
estimator = self.estimators_[i, j] |
|
leaves[:, i, j] = estimator.apply(X, check_input=False) |
|
|
|
return leaves |
|
|
|
def __sklearn_tags__(self): |
|
tags = super().__sklearn_tags__() |
|
tags.input_tags.sparse = True |
|
return tags |
|
|
|
|
|
class GradientBoostingClassifier(ClassifierMixin, BaseGradientBoosting): |
|
"""Gradient Boosting for classification. |
|
|
|
This algorithm builds an additive model in a forward stage-wise fashion; it |
|
allows for the optimization of arbitrary differentiable loss functions. In |
|
each stage ``n_classes_`` regression trees are fit on the negative gradient |
|
of the loss function, e.g. binary or multiclass log loss. Binary |
|
classification is a special case where only a single regression tree is |
|
induced. |
|
|
|
:class:`~sklearn.ensemble.HistGradientBoostingClassifier` is a much faster variant |
|
of this algorithm for intermediate and large datasets (`n_samples >= 10_000`) and |
|
supports monotonic constraints. |
|
|
|
Read more in the :ref:`User Guide <gradient_boosting>`. |
|
|
|
Parameters |
|
---------- |
|
loss : {'log_loss', 'exponential'}, default='log_loss' |
|
The loss function to be optimized. 'log_loss' refers to binomial and |
|
multinomial deviance, the same as used in logistic regression. |
|
It is a good choice for classification with probabilistic outputs. |
|
For loss 'exponential', gradient boosting recovers the AdaBoost algorithm. |
|
|
|
learning_rate : float, default=0.1 |
|
Learning rate shrinks the contribution of each tree by `learning_rate`. |
|
There is a trade-off between learning_rate and n_estimators. |
|
Values must be in the range `[0.0, inf)`. |
|
|
|
n_estimators : int, default=100 |
|
The number of boosting stages to perform. Gradient boosting |
|
is fairly robust to over-fitting so a large number usually |
|
results in better performance. |
|
Values must be in the range `[1, inf)`. |
|
|
|
subsample : float, default=1.0 |
|
The fraction of samples to be used for fitting the individual base |
|
learners. If smaller than 1.0 this results in Stochastic Gradient |
|
Boosting. `subsample` interacts with the parameter `n_estimators`. |
|
Choosing `subsample < 1.0` leads to a reduction of variance |
|
and an increase in bias. |
|
Values must be in the range `(0.0, 1.0]`. |
|
|
|
criterion : {'friedman_mse', 'squared_error'}, default='friedman_mse' |
|
The function to measure the quality of a split. Supported criteria are |
|
'friedman_mse' for the mean squared error with improvement score by |
|
Friedman, 'squared_error' for mean squared error. The default value of |
|
'friedman_mse' is generally the best as it can provide a better |
|
approximation in some cases. |
|
|
|
.. versionadded:: 0.18 |
|
|
|
min_samples_split : int or float, default=2 |
|
The minimum number of samples required to split an internal node: |
|
|
|
- If int, values must be in the range `[2, inf)`. |
|
- If float, values must be in the range `(0.0, 1.0]` and `min_samples_split` |
|
will be `ceil(min_samples_split * n_samples)`. |
|
|
|
.. versionchanged:: 0.18 |
|
Added float values for fractions. |
|
|
|
min_samples_leaf : int or float, default=1 |
|
The minimum number of samples required to be at a leaf node. |
|
A split point at any depth will only be considered if it leaves at |
|
least ``min_samples_leaf`` training samples in each of the left and |
|
right branches. This may have the effect of smoothing the model, |
|
especially in regression. |
|
|
|
- If int, values must be in the range `[1, inf)`. |
|
- If float, values must be in the range `(0.0, 1.0)` and `min_samples_leaf` |
|
will be `ceil(min_samples_leaf * n_samples)`. |
|
|
|
.. versionchanged:: 0.18 |
|
Added float values for fractions. |
|
|
|
min_weight_fraction_leaf : float, default=0.0 |
|
The minimum weighted fraction of the sum total of weights (of all |
|
the input samples) required to be at a leaf node. Samples have |
|
equal weight when sample_weight is not provided. |
|
Values must be in the range `[0.0, 0.5]`. |
|
|
|
max_depth : int or None, default=3 |
|
Maximum depth of the individual regression estimators. The maximum |
|
depth limits the number of nodes in the tree. Tune this parameter |
|
for best performance; the best value depends on the interaction |
|
of the input variables. If None, then nodes are expanded until |
|
all leaves are pure or until all leaves contain less than |
|
min_samples_split samples. |
|
If int, values must be in the range `[1, inf)`. |
|
|
|
min_impurity_decrease : float, default=0.0 |
|
A node will be split if this split induces a decrease of the impurity |
|
greater than or equal to this value. |
|
Values must be in the range `[0.0, inf)`. |
|
|
|
The weighted impurity decrease equation is the following:: |
|
|
|
N_t / N * (impurity - N_t_R / N_t * right_impurity |
|
- N_t_L / N_t * left_impurity) |
|
|
|
where ``N`` is the total number of samples, ``N_t`` is the number of |
|
samples at the current node, ``N_t_L`` is the number of samples in the |
|
left child, and ``N_t_R`` is the number of samples in the right child. |
|
|
|
``N``, ``N_t``, ``N_t_R`` and ``N_t_L`` all refer to the weighted sum, |
|
if ``sample_weight`` is passed. |
|
|
|
.. versionadded:: 0.19 |
|
|
|
init : estimator or 'zero', default=None |
|
An estimator object that is used to compute the initial predictions. |
|
``init`` has to provide :term:`fit` and :term:`predict_proba`. If |
|
'zero', the initial raw predictions are set to zero. By default, a |
|
``DummyEstimator`` predicting the classes priors is used. |
|
|
|
random_state : int, RandomState instance or None, default=None |
|
Controls the random seed given to each Tree estimator at each |
|
boosting iteration. |
|
In addition, it controls the random permutation of the features at |
|
each split (see Notes for more details). |
|
It also controls the random splitting of the training data to obtain a |
|
validation set if `n_iter_no_change` is not None. |
|
Pass an int for reproducible output across multiple function calls. |
|
See :term:`Glossary <random_state>`. |
|
|
|
max_features : {'sqrt', 'log2'}, int or float, default=None |
|
The number of features to consider when looking for the best split: |
|
|
|
- If int, values must be in the range `[1, inf)`. |
|
- If float, values must be in the range `(0.0, 1.0]` and the features |
|
considered at each split will be `max(1, int(max_features * n_features_in_))`. |
|
- If 'sqrt', then `max_features=sqrt(n_features)`. |
|
- If 'log2', then `max_features=log2(n_features)`. |
|
- If None, then `max_features=n_features`. |
|
|
|
Choosing `max_features < n_features` leads to a reduction of variance |
|
and an increase in bias. |
|
|
|
Note: the search for a split does not stop until at least one |
|
valid partition of the node samples is found, even if it requires to |
|
effectively inspect more than ``max_features`` features. |
|
|
|
verbose : int, default=0 |
|
Enable verbose output. If 1 then it prints progress and performance |
|
once in a while (the more trees the lower the frequency). If greater |
|
than 1 then it prints progress and performance for every tree. |
|
Values must be in the range `[0, inf)`. |
|
|
|
max_leaf_nodes : int, default=None |
|
Grow trees with ``max_leaf_nodes`` in best-first fashion. |
|
Best nodes are defined as relative reduction in impurity. |
|
Values must be in the range `[2, inf)`. |
|
If `None`, then unlimited number of leaf nodes. |
|
|
|
warm_start : bool, default=False |
|
When set to ``True``, reuse the solution of the previous call to fit |
|
and add more estimators to the ensemble, otherwise, just erase the |
|
previous solution. See :term:`the Glossary <warm_start>`. |
|
|
|
validation_fraction : float, default=0.1 |
|
The proportion of training data to set aside as validation set for |
|
early stopping. Values must be in the range `(0.0, 1.0)`. |
|
Only used if ``n_iter_no_change`` is set to an integer. |
|
|
|
.. versionadded:: 0.20 |
|
|
|
n_iter_no_change : int, default=None |
|
``n_iter_no_change`` is used to decide if early stopping will be used |
|
to terminate training when validation score is not improving. By |
|
default it is set to None to disable early stopping. If set to a |
|
number, it will set aside ``validation_fraction`` size of the training |
|
data as validation and terminate training when validation score is not |
|
improving in all of the previous ``n_iter_no_change`` numbers of |
|
iterations. The split is stratified. |
|
Values must be in the range `[1, inf)`. |
|
See |
|
:ref:`sphx_glr_auto_examples_ensemble_plot_gradient_boosting_early_stopping.py`. |
|
|
|
.. versionadded:: 0.20 |
|
|
|
tol : float, default=1e-4 |
|
Tolerance for the early stopping. When the loss is not improving |
|
by at least tol for ``n_iter_no_change`` iterations (if set to a |
|
number), the training stops. |
|
Values must be in the range `[0.0, inf)`. |
|
|
|
.. versionadded:: 0.20 |
|
|
|
ccp_alpha : non-negative float, default=0.0 |
|
Complexity parameter used for Minimal Cost-Complexity Pruning. The |
|
subtree with the largest cost complexity that is smaller than |
|
``ccp_alpha`` will be chosen. By default, no pruning is performed. |
|
Values must be in the range `[0.0, inf)`. |
|
See :ref:`minimal_cost_complexity_pruning` for details. See |
|
:ref:`sphx_glr_auto_examples_tree_plot_cost_complexity_pruning.py` |
|
for an example of such pruning. |
|
|
|
.. versionadded:: 0.22 |
|
|
|
Attributes |
|
---------- |
|
n_estimators_ : int |
|
The number of estimators as selected by early stopping (if |
|
``n_iter_no_change`` is specified). Otherwise it is set to |
|
``n_estimators``. |
|
|
|
.. versionadded:: 0.20 |
|
|
|
n_trees_per_iteration_ : int |
|
The number of trees that are built at each iteration. For binary classifiers, |
|
this is always 1. |
|
|
|
.. versionadded:: 1.4.0 |
|
|
|
feature_importances_ : ndarray of shape (n_features,) |
|
The impurity-based feature importances. |
|
The higher, the more important the feature. |
|
The importance of a feature is computed as the (normalized) |
|
total reduction of the criterion brought by that feature. It is also |
|
known as the Gini importance. |
|
|
|
Warning: impurity-based feature importances can be misleading for |
|
high cardinality features (many unique values). See |
|
:func:`sklearn.inspection.permutation_importance` as an alternative. |
|
|
|
oob_improvement_ : ndarray of shape (n_estimators,) |
|
The improvement in loss on the out-of-bag samples |
|
relative to the previous iteration. |
|
``oob_improvement_[0]`` is the improvement in |
|
loss of the first stage over the ``init`` estimator. |
|
Only available if ``subsample < 1.0``. |
|
|
|
oob_scores_ : ndarray of shape (n_estimators,) |
|
The full history of the loss values on the out-of-bag |
|
samples. Only available if `subsample < 1.0`. |
|
|
|
.. versionadded:: 1.3 |
|
|
|
oob_score_ : float |
|
The last value of the loss on the out-of-bag samples. It is |
|
the same as `oob_scores_[-1]`. Only available if `subsample < 1.0`. |
|
|
|
.. versionadded:: 1.3 |
|
|
|
train_score_ : ndarray of shape (n_estimators,) |
|
The i-th score ``train_score_[i]`` is the loss of the |
|
model at iteration ``i`` on the in-bag sample. |
|
If ``subsample == 1`` this is the loss on the training data. |
|
|
|
init_ : estimator |
|
The estimator that provides the initial predictions. Set via the ``init`` |
|
argument. |
|
|
|
estimators_ : ndarray of DecisionTreeRegressor of \ |
|
shape (n_estimators, ``n_trees_per_iteration_``) |
|
The collection of fitted sub-estimators. ``n_trees_per_iteration_`` is 1 for |
|
binary classification, otherwise ``n_classes``. |
|
|
|
classes_ : ndarray of shape (n_classes,) |
|
The classes labels. |
|
|
|
n_features_in_ : int |
|
Number of features seen during :term:`fit`. |
|
|
|
.. versionadded:: 0.24 |
|
|
|
feature_names_in_ : ndarray of shape (`n_features_in_`,) |
|
Names of features seen during :term:`fit`. Defined only when `X` |
|
has feature names that are all strings. |
|
|
|
.. versionadded:: 1.0 |
|
|
|
n_classes_ : int |
|
The number of classes. |
|
|
|
max_features_ : int |
|
The inferred value of max_features. |
|
|
|
See Also |
|
-------- |
|
HistGradientBoostingClassifier : Histogram-based Gradient Boosting |
|
Classification Tree. |
|
sklearn.tree.DecisionTreeClassifier : A decision tree classifier. |
|
RandomForestClassifier : A meta-estimator that fits a number of decision |
|
tree classifiers on various sub-samples of the dataset and uses |
|
averaging to improve the predictive accuracy and control over-fitting. |
|
AdaBoostClassifier : A meta-estimator that begins by fitting a classifier |
|
on the original dataset and then fits additional copies of the |
|
classifier on the same dataset where the weights of incorrectly |
|
classified instances are adjusted such that subsequent classifiers |
|
focus more on difficult cases. |
|
|
|
Notes |
|
----- |
|
The features are always randomly permuted at each split. Therefore, |
|
the best found split may vary, even with the same training data and |
|
``max_features=n_features``, if the improvement of the criterion is |
|
identical for several splits enumerated during the search of the best |
|
split. To obtain a deterministic behaviour during fitting, |
|
``random_state`` has to be fixed. |
|
|
|
References |
|
---------- |
|
J. Friedman, Greedy Function Approximation: A Gradient Boosting |
|
Machine, The Annals of Statistics, Vol. 29, No. 5, 2001. |
|
|
|
J. Friedman, Stochastic Gradient Boosting, 1999 |
|
|
|
T. Hastie, R. Tibshirani and J. Friedman. |
|
Elements of Statistical Learning Ed. 2, Springer, 2009. |
|
|
|
Examples |
|
-------- |
|
The following example shows how to fit a gradient boosting classifier with |
|
100 decision stumps as weak learners. |
|
|
|
>>> from sklearn.datasets import make_hastie_10_2 |
|
>>> from sklearn.ensemble import GradientBoostingClassifier |
|
|
|
>>> X, y = make_hastie_10_2(random_state=0) |
|
>>> X_train, X_test = X[:2000], X[2000:] |
|
>>> y_train, y_test = y[:2000], y[2000:] |
|
|
|
>>> clf = GradientBoostingClassifier(n_estimators=100, learning_rate=1.0, |
|
... max_depth=1, random_state=0).fit(X_train, y_train) |
|
>>> clf.score(X_test, y_test) |
|
0.913... |
|
""" |
|
|
|
_parameter_constraints: dict = { |
|
**BaseGradientBoosting._parameter_constraints, |
|
"loss": [StrOptions({"log_loss", "exponential"})], |
|
"init": [StrOptions({"zero"}), None, HasMethods(["fit", "predict_proba"])], |
|
} |
|
|
|
def __init__( |
|
self, |
|
*, |
|
loss="log_loss", |
|
learning_rate=0.1, |
|
n_estimators=100, |
|
subsample=1.0, |
|
criterion="friedman_mse", |
|
min_samples_split=2, |
|
min_samples_leaf=1, |
|
min_weight_fraction_leaf=0.0, |
|
max_depth=3, |
|
min_impurity_decrease=0.0, |
|
init=None, |
|
random_state=None, |
|
max_features=None, |
|
verbose=0, |
|
max_leaf_nodes=None, |
|
warm_start=False, |
|
validation_fraction=0.1, |
|
n_iter_no_change=None, |
|
tol=1e-4, |
|
ccp_alpha=0.0, |
|
): |
|
super().__init__( |
|
loss=loss, |
|
learning_rate=learning_rate, |
|
n_estimators=n_estimators, |
|
criterion=criterion, |
|
min_samples_split=min_samples_split, |
|
min_samples_leaf=min_samples_leaf, |
|
min_weight_fraction_leaf=min_weight_fraction_leaf, |
|
max_depth=max_depth, |
|
init=init, |
|
subsample=subsample, |
|
max_features=max_features, |
|
random_state=random_state, |
|
verbose=verbose, |
|
max_leaf_nodes=max_leaf_nodes, |
|
min_impurity_decrease=min_impurity_decrease, |
|
warm_start=warm_start, |
|
validation_fraction=validation_fraction, |
|
n_iter_no_change=n_iter_no_change, |
|
tol=tol, |
|
ccp_alpha=ccp_alpha, |
|
) |
|
|
|
def _encode_y(self, y, sample_weight): |
|
|
|
|
|
check_classification_targets(y) |
|
|
|
label_encoder = LabelEncoder() |
|
encoded_y_int = label_encoder.fit_transform(y) |
|
self.classes_ = label_encoder.classes_ |
|
n_classes = self.classes_.shape[0] |
|
|
|
|
|
self.n_trees_per_iteration_ = 1 if n_classes <= 2 else n_classes |
|
encoded_y = encoded_y_int.astype(float, copy=False) |
|
|
|
|
|
|
|
self.n_classes_ = n_classes |
|
if sample_weight is None: |
|
n_trim_classes = n_classes |
|
else: |
|
n_trim_classes = np.count_nonzero(np.bincount(encoded_y_int, sample_weight)) |
|
|
|
if n_trim_classes < 2: |
|
raise ValueError( |
|
"y contains %d class after sample_weight " |
|
"trimmed classes with zero weights, while a " |
|
"minimum of 2 classes are required." % n_trim_classes |
|
) |
|
return encoded_y |
|
|
|
def _get_loss(self, sample_weight): |
|
if self.loss == "log_loss": |
|
if self.n_classes_ == 2: |
|
return HalfBinomialLoss(sample_weight=sample_weight) |
|
else: |
|
return HalfMultinomialLoss( |
|
sample_weight=sample_weight, n_classes=self.n_classes_ |
|
) |
|
elif self.loss == "exponential": |
|
if self.n_classes_ > 2: |
|
raise ValueError( |
|
f"loss='{self.loss}' is only suitable for a binary classification " |
|
f"problem, you have n_classes={self.n_classes_}. " |
|
"Please use loss='log_loss' instead." |
|
) |
|
else: |
|
return ExponentialLoss(sample_weight=sample_weight) |
|
|
|
def decision_function(self, X): |
|
"""Compute the decision function of ``X``. |
|
|
|
Parameters |
|
---------- |
|
X : {array-like, sparse matrix} of shape (n_samples, n_features) |
|
The input samples. Internally, it will be converted to |
|
``dtype=np.float32`` and if a sparse matrix is provided |
|
to a sparse ``csr_matrix``. |
|
|
|
Returns |
|
------- |
|
score : ndarray of shape (n_samples, n_classes) or (n_samples,) |
|
The decision function of the input samples, which corresponds to |
|
the raw values predicted from the trees of the ensemble . The |
|
order of the classes corresponds to that in the attribute |
|
:term:`classes_`. Regression and binary classification produce an |
|
array of shape (n_samples,). |
|
""" |
|
X = validate_data( |
|
self, X, dtype=DTYPE, order="C", accept_sparse="csr", reset=False |
|
) |
|
raw_predictions = self._raw_predict(X) |
|
if raw_predictions.shape[1] == 1: |
|
return raw_predictions.ravel() |
|
return raw_predictions |
|
|
|
def staged_decision_function(self, X): |
|
"""Compute decision function of ``X`` for each iteration. |
|
|
|
This method allows monitoring (i.e. determine error on testing set) |
|
after each stage. |
|
|
|
Parameters |
|
---------- |
|
X : {array-like, sparse matrix} of shape (n_samples, n_features) |
|
The input samples. Internally, it will be converted to |
|
``dtype=np.float32`` and if a sparse matrix is provided |
|
to a sparse ``csr_matrix``. |
|
|
|
Yields |
|
------ |
|
score : generator of ndarray of shape (n_samples, k) |
|
The decision function of the input samples, which corresponds to |
|
the raw values predicted from the trees of the ensemble . The |
|
classes corresponds to that in the attribute :term:`classes_`. |
|
Regression and binary classification are special cases with |
|
``k == 1``, otherwise ``k==n_classes``. |
|
""" |
|
yield from self._staged_raw_predict(X) |
|
|
|
def predict(self, X): |
|
"""Predict class for X. |
|
|
|
Parameters |
|
---------- |
|
X : {array-like, sparse matrix} of shape (n_samples, n_features) |
|
The input samples. Internally, it will be converted to |
|
``dtype=np.float32`` and if a sparse matrix is provided |
|
to a sparse ``csr_matrix``. |
|
|
|
Returns |
|
------- |
|
y : ndarray of shape (n_samples,) |
|
The predicted values. |
|
""" |
|
raw_predictions = self.decision_function(X) |
|
if raw_predictions.ndim == 1: |
|
encoded_classes = (raw_predictions >= 0).astype(int) |
|
else: |
|
encoded_classes = np.argmax(raw_predictions, axis=1) |
|
return self.classes_[encoded_classes] |
|
|
|
def staged_predict(self, X): |
|
"""Predict class at each stage for X. |
|
|
|
This method allows monitoring (i.e. determine error on testing set) |
|
after each stage. |
|
|
|
Parameters |
|
---------- |
|
X : {array-like, sparse matrix} of shape (n_samples, n_features) |
|
The input samples. Internally, it will be converted to |
|
``dtype=np.float32`` and if a sparse matrix is provided |
|
to a sparse ``csr_matrix``. |
|
|
|
Yields |
|
------ |
|
y : generator of ndarray of shape (n_samples,) |
|
The predicted value of the input samples. |
|
""" |
|
if self.n_classes_ == 2: |
|
for raw_predictions in self._staged_raw_predict(X): |
|
encoded_classes = (raw_predictions.squeeze() >= 0).astype(int) |
|
yield self.classes_.take(encoded_classes, axis=0) |
|
else: |
|
for raw_predictions in self._staged_raw_predict(X): |
|
encoded_classes = np.argmax(raw_predictions, axis=1) |
|
yield self.classes_.take(encoded_classes, axis=0) |
|
|
|
def predict_proba(self, X): |
|
"""Predict class probabilities for X. |
|
|
|
Parameters |
|
---------- |
|
X : {array-like, sparse matrix} of shape (n_samples, n_features) |
|
The input samples. Internally, it will be converted to |
|
``dtype=np.float32`` and if a sparse matrix is provided |
|
to a sparse ``csr_matrix``. |
|
|
|
Returns |
|
------- |
|
p : ndarray of shape (n_samples, n_classes) |
|
The class probabilities of the input samples. The order of the |
|
classes corresponds to that in the attribute :term:`classes_`. |
|
|
|
Raises |
|
------ |
|
AttributeError |
|
If the ``loss`` does not support probabilities. |
|
""" |
|
raw_predictions = self.decision_function(X) |
|
return self._loss.predict_proba(raw_predictions) |
|
|
|
def predict_log_proba(self, X): |
|
"""Predict class log-probabilities for X. |
|
|
|
Parameters |
|
---------- |
|
X : {array-like, sparse matrix} of shape (n_samples, n_features) |
|
The input samples. Internally, it will be converted to |
|
``dtype=np.float32`` and if a sparse matrix is provided |
|
to a sparse ``csr_matrix``. |
|
|
|
Returns |
|
------- |
|
p : ndarray of shape (n_samples, n_classes) |
|
The class log-probabilities of the input samples. The order of the |
|
classes corresponds to that in the attribute :term:`classes_`. |
|
|
|
Raises |
|
------ |
|
AttributeError |
|
If the ``loss`` does not support probabilities. |
|
""" |
|
proba = self.predict_proba(X) |
|
return np.log(proba) |
|
|
|
def staged_predict_proba(self, X): |
|
"""Predict class probabilities at each stage for X. |
|
|
|
This method allows monitoring (i.e. determine error on testing set) |
|
after each stage. |
|
|
|
Parameters |
|
---------- |
|
X : {array-like, sparse matrix} of shape (n_samples, n_features) |
|
The input samples. Internally, it will be converted to |
|
``dtype=np.float32`` and if a sparse matrix is provided |
|
to a sparse ``csr_matrix``. |
|
|
|
Yields |
|
------ |
|
y : generator of ndarray of shape (n_samples,) |
|
The predicted value of the input samples. |
|
""" |
|
try: |
|
for raw_predictions in self._staged_raw_predict(X): |
|
yield self._loss.predict_proba(raw_predictions) |
|
except NotFittedError: |
|
raise |
|
except AttributeError as e: |
|
raise AttributeError( |
|
"loss=%r does not support predict_proba" % self.loss |
|
) from e |
|
|
|
|
|
class GradientBoostingRegressor(RegressorMixin, BaseGradientBoosting): |
|
"""Gradient Boosting for regression. |
|
|
|
This estimator builds an additive model in a forward stage-wise fashion; it |
|
allows for the optimization of arbitrary differentiable loss functions. In |
|
each stage a regression tree is fit on the negative gradient of the given |
|
loss function. |
|
|
|
:class:`~sklearn.ensemble.HistGradientBoostingRegressor` is a much faster variant |
|
of this algorithm for intermediate and large datasets (`n_samples >= 10_000`) and |
|
supports monotonic constraints. |
|
|
|
Read more in the :ref:`User Guide <gradient_boosting>`. |
|
|
|
Parameters |
|
---------- |
|
loss : {'squared_error', 'absolute_error', 'huber', 'quantile'}, \ |
|
default='squared_error' |
|
Loss function to be optimized. 'squared_error' refers to the squared |
|
error for regression. 'absolute_error' refers to the absolute error of |
|
regression and is a robust loss function. 'huber' is a |
|
combination of the two. 'quantile' allows quantile regression (use |
|
`alpha` to specify the quantile). |
|
See |
|
:ref:`sphx_glr_auto_examples_ensemble_plot_gradient_boosting_quantile.py` |
|
for an example that demonstrates quantile regression for creating |
|
prediction intervals with `loss='quantile'`. |
|
|
|
learning_rate : float, default=0.1 |
|
Learning rate shrinks the contribution of each tree by `learning_rate`. |
|
There is a trade-off between learning_rate and n_estimators. |
|
Values must be in the range `[0.0, inf)`. |
|
|
|
n_estimators : int, default=100 |
|
The number of boosting stages to perform. Gradient boosting |
|
is fairly robust to over-fitting so a large number usually |
|
results in better performance. |
|
Values must be in the range `[1, inf)`. |
|
|
|
subsample : float, default=1.0 |
|
The fraction of samples to be used for fitting the individual base |
|
learners. If smaller than 1.0 this results in Stochastic Gradient |
|
Boosting. `subsample` interacts with the parameter `n_estimators`. |
|
Choosing `subsample < 1.0` leads to a reduction of variance |
|
and an increase in bias. |
|
Values must be in the range `(0.0, 1.0]`. |
|
|
|
criterion : {'friedman_mse', 'squared_error'}, default='friedman_mse' |
|
The function to measure the quality of a split. Supported criteria are |
|
"friedman_mse" for the mean squared error with improvement score by |
|
Friedman, "squared_error" for mean squared error. The default value of |
|
"friedman_mse" is generally the best as it can provide a better |
|
approximation in some cases. |
|
|
|
.. versionadded:: 0.18 |
|
|
|
min_samples_split : int or float, default=2 |
|
The minimum number of samples required to split an internal node: |
|
|
|
- If int, values must be in the range `[2, inf)`. |
|
- If float, values must be in the range `(0.0, 1.0]` and `min_samples_split` |
|
will be `ceil(min_samples_split * n_samples)`. |
|
|
|
.. versionchanged:: 0.18 |
|
Added float values for fractions. |
|
|
|
min_samples_leaf : int or float, default=1 |
|
The minimum number of samples required to be at a leaf node. |
|
A split point at any depth will only be considered if it leaves at |
|
least ``min_samples_leaf`` training samples in each of the left and |
|
right branches. This may have the effect of smoothing the model, |
|
especially in regression. |
|
|
|
- If int, values must be in the range `[1, inf)`. |
|
- If float, values must be in the range `(0.0, 1.0)` and `min_samples_leaf` |
|
will be `ceil(min_samples_leaf * n_samples)`. |
|
|
|
.. versionchanged:: 0.18 |
|
Added float values for fractions. |
|
|
|
min_weight_fraction_leaf : float, default=0.0 |
|
The minimum weighted fraction of the sum total of weights (of all |
|
the input samples) required to be at a leaf node. Samples have |
|
equal weight when sample_weight is not provided. |
|
Values must be in the range `[0.0, 0.5]`. |
|
|
|
max_depth : int or None, default=3 |
|
Maximum depth of the individual regression estimators. The maximum |
|
depth limits the number of nodes in the tree. Tune this parameter |
|
for best performance; the best value depends on the interaction |
|
of the input variables. If None, then nodes are expanded until |
|
all leaves are pure or until all leaves contain less than |
|
min_samples_split samples. |
|
If int, values must be in the range `[1, inf)`. |
|
|
|
min_impurity_decrease : float, default=0.0 |
|
A node will be split if this split induces a decrease of the impurity |
|
greater than or equal to this value. |
|
Values must be in the range `[0.0, inf)`. |
|
|
|
The weighted impurity decrease equation is the following:: |
|
|
|
N_t / N * (impurity - N_t_R / N_t * right_impurity |
|
- N_t_L / N_t * left_impurity) |
|
|
|
where ``N`` is the total number of samples, ``N_t`` is the number of |
|
samples at the current node, ``N_t_L`` is the number of samples in the |
|
left child, and ``N_t_R`` is the number of samples in the right child. |
|
|
|
``N``, ``N_t``, ``N_t_R`` and ``N_t_L`` all refer to the weighted sum, |
|
if ``sample_weight`` is passed. |
|
|
|
.. versionadded:: 0.19 |
|
|
|
init : estimator or 'zero', default=None |
|
An estimator object that is used to compute the initial predictions. |
|
``init`` has to provide :term:`fit` and :term:`predict`. If 'zero', the |
|
initial raw predictions are set to zero. By default a |
|
``DummyEstimator`` is used, predicting either the average target value |
|
(for loss='squared_error'), or a quantile for the other losses. |
|
|
|
random_state : int, RandomState instance or None, default=None |
|
Controls the random seed given to each Tree estimator at each |
|
boosting iteration. |
|
In addition, it controls the random permutation of the features at |
|
each split (see Notes for more details). |
|
It also controls the random splitting of the training data to obtain a |
|
validation set if `n_iter_no_change` is not None. |
|
Pass an int for reproducible output across multiple function calls. |
|
See :term:`Glossary <random_state>`. |
|
|
|
max_features : {'sqrt', 'log2'}, int or float, default=None |
|
The number of features to consider when looking for the best split: |
|
|
|
- If int, values must be in the range `[1, inf)`. |
|
- If float, values must be in the range `(0.0, 1.0]` and the features |
|
considered at each split will be `max(1, int(max_features * n_features_in_))`. |
|
- If "sqrt", then `max_features=sqrt(n_features)`. |
|
- If "log2", then `max_features=log2(n_features)`. |
|
- If None, then `max_features=n_features`. |
|
|
|
Choosing `max_features < n_features` leads to a reduction of variance |
|
and an increase in bias. |
|
|
|
Note: the search for a split does not stop until at least one |
|
valid partition of the node samples is found, even if it requires to |
|
effectively inspect more than ``max_features`` features. |
|
|
|
alpha : float, default=0.9 |
|
The alpha-quantile of the huber loss function and the quantile |
|
loss function. Only if ``loss='huber'`` or ``loss='quantile'``. |
|
Values must be in the range `(0.0, 1.0)`. |
|
|
|
verbose : int, default=0 |
|
Enable verbose output. If 1 then it prints progress and performance |
|
once in a while (the more trees the lower the frequency). If greater |
|
than 1 then it prints progress and performance for every tree. |
|
Values must be in the range `[0, inf)`. |
|
|
|
max_leaf_nodes : int, default=None |
|
Grow trees with ``max_leaf_nodes`` in best-first fashion. |
|
Best nodes are defined as relative reduction in impurity. |
|
Values must be in the range `[2, inf)`. |
|
If None, then unlimited number of leaf nodes. |
|
|
|
warm_start : bool, default=False |
|
When set to ``True``, reuse the solution of the previous call to fit |
|
and add more estimators to the ensemble, otherwise, just erase the |
|
previous solution. See :term:`the Glossary <warm_start>`. |
|
|
|
validation_fraction : float, default=0.1 |
|
The proportion of training data to set aside as validation set for |
|
early stopping. Values must be in the range `(0.0, 1.0)`. |
|
Only used if ``n_iter_no_change`` is set to an integer. |
|
|
|
.. versionadded:: 0.20 |
|
|
|
n_iter_no_change : int, default=None |
|
``n_iter_no_change`` is used to decide if early stopping will be used |
|
to terminate training when validation score is not improving. By |
|
default it is set to None to disable early stopping. If set to a |
|
number, it will set aside ``validation_fraction`` size of the training |
|
data as validation and terminate training when validation score is not |
|
improving in all of the previous ``n_iter_no_change`` numbers of |
|
iterations. |
|
Values must be in the range `[1, inf)`. |
|
See |
|
:ref:`sphx_glr_auto_examples_ensemble_plot_gradient_boosting_early_stopping.py`. |
|
|
|
.. versionadded:: 0.20 |
|
|
|
tol : float, default=1e-4 |
|
Tolerance for the early stopping. When the loss is not improving |
|
by at least tol for ``n_iter_no_change`` iterations (if set to a |
|
number), the training stops. |
|
Values must be in the range `[0.0, inf)`. |
|
|
|
.. versionadded:: 0.20 |
|
|
|
ccp_alpha : non-negative float, default=0.0 |
|
Complexity parameter used for Minimal Cost-Complexity Pruning. The |
|
subtree with the largest cost complexity that is smaller than |
|
``ccp_alpha`` will be chosen. By default, no pruning is performed. |
|
Values must be in the range `[0.0, inf)`. |
|
See :ref:`minimal_cost_complexity_pruning` for details. See |
|
:ref:`sphx_glr_auto_examples_tree_plot_cost_complexity_pruning.py` |
|
for an example of such pruning. |
|
|
|
.. versionadded:: 0.22 |
|
|
|
Attributes |
|
---------- |
|
n_estimators_ : int |
|
The number of estimators as selected by early stopping (if |
|
``n_iter_no_change`` is specified). Otherwise it is set to |
|
``n_estimators``. |
|
|
|
n_trees_per_iteration_ : int |
|
The number of trees that are built at each iteration. For regressors, this is |
|
always 1. |
|
|
|
.. versionadded:: 1.4.0 |
|
|
|
feature_importances_ : ndarray of shape (n_features,) |
|
The impurity-based feature importances. |
|
The higher, the more important the feature. |
|
The importance of a feature is computed as the (normalized) |
|
total reduction of the criterion brought by that feature. It is also |
|
known as the Gini importance. |
|
|
|
Warning: impurity-based feature importances can be misleading for |
|
high cardinality features (many unique values). See |
|
:func:`sklearn.inspection.permutation_importance` as an alternative. |
|
|
|
oob_improvement_ : ndarray of shape (n_estimators,) |
|
The improvement in loss on the out-of-bag samples |
|
relative to the previous iteration. |
|
``oob_improvement_[0]`` is the improvement in |
|
loss of the first stage over the ``init`` estimator. |
|
Only available if ``subsample < 1.0``. |
|
|
|
oob_scores_ : ndarray of shape (n_estimators,) |
|
The full history of the loss values on the out-of-bag |
|
samples. Only available if `subsample < 1.0`. |
|
|
|
.. versionadded:: 1.3 |
|
|
|
oob_score_ : float |
|
The last value of the loss on the out-of-bag samples. It is |
|
the same as `oob_scores_[-1]`. Only available if `subsample < 1.0`. |
|
|
|
.. versionadded:: 1.3 |
|
|
|
train_score_ : ndarray of shape (n_estimators,) |
|
The i-th score ``train_score_[i]`` is the loss of the |
|
model at iteration ``i`` on the in-bag sample. |
|
If ``subsample == 1`` this is the loss on the training data. |
|
|
|
init_ : estimator |
|
The estimator that provides the initial predictions. Set via the ``init`` |
|
argument. |
|
|
|
estimators_ : ndarray of DecisionTreeRegressor of shape (n_estimators, 1) |
|
The collection of fitted sub-estimators. |
|
|
|
n_features_in_ : int |
|
Number of features seen during :term:`fit`. |
|
|
|
.. versionadded:: 0.24 |
|
|
|
feature_names_in_ : ndarray of shape (`n_features_in_`,) |
|
Names of features seen during :term:`fit`. Defined only when `X` |
|
has feature names that are all strings. |
|
|
|
.. versionadded:: 1.0 |
|
|
|
max_features_ : int |
|
The inferred value of max_features. |
|
|
|
See Also |
|
-------- |
|
HistGradientBoostingRegressor : Histogram-based Gradient Boosting |
|
Classification Tree. |
|
sklearn.tree.DecisionTreeRegressor : A decision tree regressor. |
|
sklearn.ensemble.RandomForestRegressor : A random forest regressor. |
|
|
|
Notes |
|
----- |
|
The features are always randomly permuted at each split. Therefore, |
|
the best found split may vary, even with the same training data and |
|
``max_features=n_features``, if the improvement of the criterion is |
|
identical for several splits enumerated during the search of the best |
|
split. To obtain a deterministic behaviour during fitting, |
|
``random_state`` has to be fixed. |
|
|
|
References |
|
---------- |
|
J. Friedman, Greedy Function Approximation: A Gradient Boosting |
|
Machine, The Annals of Statistics, Vol. 29, No. 5, 2001. |
|
|
|
J. Friedman, Stochastic Gradient Boosting, 1999 |
|
|
|
T. Hastie, R. Tibshirani and J. Friedman. |
|
Elements of Statistical Learning Ed. 2, Springer, 2009. |
|
|
|
Examples |
|
-------- |
|
>>> from sklearn.datasets import make_regression |
|
>>> from sklearn.ensemble import GradientBoostingRegressor |
|
>>> from sklearn.model_selection import train_test_split |
|
>>> X, y = make_regression(random_state=0) |
|
>>> X_train, X_test, y_train, y_test = train_test_split( |
|
... X, y, random_state=0) |
|
>>> reg = GradientBoostingRegressor(random_state=0) |
|
>>> reg.fit(X_train, y_train) |
|
GradientBoostingRegressor(random_state=0) |
|
>>> reg.predict(X_test[1:2]) |
|
array([-61...]) |
|
>>> reg.score(X_test, y_test) |
|
0.4... |
|
|
|
For a detailed example of utilizing |
|
:class:`~sklearn.ensemble.GradientBoostingRegressor` |
|
to fit an ensemble of weak predictive models, please refer to |
|
:ref:`sphx_glr_auto_examples_ensemble_plot_gradient_boosting_regression.py`. |
|
""" |
|
|
|
_parameter_constraints: dict = { |
|
**BaseGradientBoosting._parameter_constraints, |
|
"loss": [StrOptions({"squared_error", "absolute_error", "huber", "quantile"})], |
|
"init": [StrOptions({"zero"}), None, HasMethods(["fit", "predict"])], |
|
"alpha": [Interval(Real, 0.0, 1.0, closed="neither")], |
|
} |
|
|
|
def __init__( |
|
self, |
|
*, |
|
loss="squared_error", |
|
learning_rate=0.1, |
|
n_estimators=100, |
|
subsample=1.0, |
|
criterion="friedman_mse", |
|
min_samples_split=2, |
|
min_samples_leaf=1, |
|
min_weight_fraction_leaf=0.0, |
|
max_depth=3, |
|
min_impurity_decrease=0.0, |
|
init=None, |
|
random_state=None, |
|
max_features=None, |
|
alpha=0.9, |
|
verbose=0, |
|
max_leaf_nodes=None, |
|
warm_start=False, |
|
validation_fraction=0.1, |
|
n_iter_no_change=None, |
|
tol=1e-4, |
|
ccp_alpha=0.0, |
|
): |
|
super().__init__( |
|
loss=loss, |
|
learning_rate=learning_rate, |
|
n_estimators=n_estimators, |
|
criterion=criterion, |
|
min_samples_split=min_samples_split, |
|
min_samples_leaf=min_samples_leaf, |
|
min_weight_fraction_leaf=min_weight_fraction_leaf, |
|
max_depth=max_depth, |
|
init=init, |
|
subsample=subsample, |
|
max_features=max_features, |
|
min_impurity_decrease=min_impurity_decrease, |
|
random_state=random_state, |
|
alpha=alpha, |
|
verbose=verbose, |
|
max_leaf_nodes=max_leaf_nodes, |
|
warm_start=warm_start, |
|
validation_fraction=validation_fraction, |
|
n_iter_no_change=n_iter_no_change, |
|
tol=tol, |
|
ccp_alpha=ccp_alpha, |
|
) |
|
|
|
def _encode_y(self, y=None, sample_weight=None): |
|
|
|
self.n_trees_per_iteration_ = 1 |
|
y = y.astype(DOUBLE, copy=False) |
|
return y |
|
|
|
def _get_loss(self, sample_weight): |
|
if self.loss in ("quantile", "huber"): |
|
return _LOSSES[self.loss](sample_weight=sample_weight, quantile=self.alpha) |
|
else: |
|
return _LOSSES[self.loss](sample_weight=sample_weight) |
|
|
|
def predict(self, X): |
|
"""Predict regression target for X. |
|
|
|
Parameters |
|
---------- |
|
X : {array-like, sparse matrix} of shape (n_samples, n_features) |
|
The input samples. Internally, it will be converted to |
|
``dtype=np.float32`` and if a sparse matrix is provided |
|
to a sparse ``csr_matrix``. |
|
|
|
Returns |
|
------- |
|
y : ndarray of shape (n_samples,) |
|
The predicted values. |
|
""" |
|
X = validate_data( |
|
self, X, dtype=DTYPE, order="C", accept_sparse="csr", reset=False |
|
) |
|
|
|
return self._raw_predict(X).ravel() |
|
|
|
def staged_predict(self, X): |
|
"""Predict regression target at each stage for X. |
|
|
|
This method allows monitoring (i.e. determine error on testing set) |
|
after each stage. |
|
|
|
Parameters |
|
---------- |
|
X : {array-like, sparse matrix} of shape (n_samples, n_features) |
|
The input samples. Internally, it will be converted to |
|
``dtype=np.float32`` and if a sparse matrix is provided |
|
to a sparse ``csr_matrix``. |
|
|
|
Yields |
|
------ |
|
y : generator of ndarray of shape (n_samples,) |
|
The predicted value of the input samples. |
|
""" |
|
for raw_predictions in self._staged_raw_predict(X): |
|
yield raw_predictions.ravel() |
|
|
|
def apply(self, X): |
|
"""Apply trees in the ensemble to X, return leaf indices. |
|
|
|
.. versionadded:: 0.17 |
|
|
|
Parameters |
|
---------- |
|
X : {array-like, sparse matrix} of shape (n_samples, n_features) |
|
The input samples. Internally, its dtype will be converted to |
|
``dtype=np.float32``. If a sparse matrix is provided, it will |
|
be converted to a sparse ``csr_matrix``. |
|
|
|
Returns |
|
------- |
|
X_leaves : array-like of shape (n_samples, n_estimators) |
|
For each datapoint x in X and for each tree in the ensemble, |
|
return the index of the leaf x ends up in each estimator. |
|
""" |
|
|
|
leaves = super().apply(X) |
|
leaves = leaves.reshape(X.shape[0], self.estimators_.shape[0]) |
|
return leaves |
|
|