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sklearn/ensemble/_hist_gradient_boosting/splitting.pyx
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Arthur Lacote
simpler missing values handling (#34335)
21 июн 2026, 19:52
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21 июн 2026, 19:52
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"""This module contains routines and data structures to: - Find the best possible split of a node. For a given node, a split is characterized by a feature and a bin. - Apply a split to a node, i.e. split the indices of the samples at the node into the newly created left and right children. """ # Authors: The scikit-learn developers # SPDX-License-Identifier: BSD-3-Clause cimport cython from cython.parallel import prange import numpy as np from libc.math cimport INFINITY, ceil from libc.stdlib cimport malloc, free, qsort from libc.string cimport memcpy from sklearn.utils._bitset cimport BITSET_DTYPE_C, BITSET_INNER_DTYPE_C from sklearn.utils._bitset cimport in_bitset, init_bitset, set_bitset from sklearn.utils._typedefs cimport uint8_t from sklearn.ensemble._hist_gradient_boosting.common cimport X_BINNED_DTYPE_C from sklearn.ensemble._hist_gradient_boosting.common cimport Y_DTYPE_C from sklearn.ensemble._hist_gradient_boosting.common cimport hist_struct from sklearn.ensemble._hist_gradient_boosting.common cimport MonotonicConstraint cdef struct split_info_struct: # Same as the SplitInfo class, but we need a C struct to use it in the # nogil sections and to use in arrays. Y_DTYPE_C gain int feature_idx unsigned int bin_idx uint8_t missing_go_to_left Y_DTYPE_C sum_gradient_left Y_DTYPE_C sum_gradient_right Y_DTYPE_C sum_hessian_left Y_DTYPE_C sum_hessian_right unsigned int n_samples_left unsigned int n_samples_right Y_DTYPE_C value_left Y_DTYPE_C value_right uint8_t is_categorical BITSET_DTYPE_C left_cat_bitset # used in categorical splits for sorting categories by increasing values of # sum_gradients / sum_hessians cdef struct categorical_info: X_BINNED_DTYPE_C bin_idx Y_DTYPE_C value class SplitInfo: """Pure data class to store information about a potential split. Parameters ---------- gain : float The gain of the split. feature_idx : int The index of the feature to be split. bin_idx : int The index of the bin on which the split is made. Should be ignored if `is_categorical` is True: `left_cat_bitset` will be used to determine the split. missing_go_to_left : bool Whether missing values should go to the left child. This is used whether the split is categorical or not. sum_gradient_left : float The sum of the gradients of all the samples in the left child. sum_hessian_left : float The sum of the hessians of all the samples in the left child. sum_gradient_right : float The sum of the gradients of all the samples in the right child. sum_hessian_right : float The sum of the hessians of all the samples in the right child. n_samples_left : int, default=0 The number of samples in the left child. n_samples_right : int The number of samples in the right child. is_categorical : bool Whether the split is done on a categorical feature. left_cat_bitset : ndarray of shape=(8,), dtype=uint32 or None Bitset representing the categories that go to the left. This is used only when `is_categorical` is True. Note that missing values are part of that bitset if there are missing values in the training data. For missing values, we rely on that bitset for splitting, but at prediction time, we rely on missing_go_to_left. """ def __init__(self, gain, feature_idx, bin_idx, missing_go_to_left, sum_gradient_left, sum_hessian_left, sum_gradient_right, sum_hessian_right, n_samples_left, n_samples_right, value_left, value_right, is_categorical, left_cat_bitset): self.gain = gain self.feature_idx = feature_idx self.bin_idx = bin_idx self.missing_go_to_left = missing_go_to_left self.sum_gradient_left = sum_gradient_left self.sum_hessian_left = sum_hessian_left self.sum_gradient_right = sum_gradient_right self.sum_hessian_right = sum_hessian_right self.n_samples_left = n_samples_left self.n_samples_right = n_samples_right self.value_left = value_left self.value_right = value_right self.is_categorical = is_categorical self.left_cat_bitset = left_cat_bitset @cython.final cdef class Splitter: """Splitter used to find the best possible split at each node. A split (see SplitInfo) is characterized by a feature and a bin. The Splitter is also responsible for partitioning the samples among the leaves of the tree (see split_indices() and the partition attribute). Parameters ---------- X_binned : ndarray of int, shape (n_samples, n_features) The binned input samples. Must be Fortran-aligned. n_bins_non_missing : ndarray, shape (n_features,) For each feature, gives the number of bins actually used for non-missing values. missing_values_bin_idx : uint8 Index of the bin that is used for missing values. This is the index of the last bin and is always equal to max_bins (as passed to the GBDT classes), or equivalently to n_bins - 1. has_missing_values : ndarray, shape (n_features,) Whether missing values were observed in the training data, for each feature. is_categorical : ndarray of bool of shape (n_features,) Indicates categorical features. monotonic_cst : ndarray of int of shape (n_features,), dtype=int Indicates the monotonic constraint to enforce on each feature. - 1: monotonic increase - 0: no constraint - -1: monotonic decrease Read more in the :ref:`User Guide <monotonic_cst_gbdt>`. l2_regularization : float The L2 regularization parameter. min_hessian_to_split : float, default=1e-3 The minimum sum of hessians needed in each node. Splits that result in at least one child having a sum of hessians less than min_hessian_to_split are discarded. min_samples_leaf : int, default=20 The minimum number of samples per leaf. min_gain_to_split : float, default=0.0 The minimum gain needed to split a node. Splits with lower gain will be ignored. hessians_are_constant: bool, default is False Whether hessians are constant. feature_fraction_per_split : float, default=1 Proportion of randomly chosen features in each and every node split. This is a form of regularization, smaller values make the trees weaker learners and might prevent overfitting. rng : Generator n_threads : int, default=1 Number of OpenMP threads to use. """ cdef public: const X_BINNED_DTYPE_C [::1, :] X_binned unsigned int n_features const unsigned int [::1] n_bins_non_missing uint8_t missing_values_bin_idx const uint8_t [::1] has_missing_values const uint8_t [::1] is_categorical const signed char [::1] monotonic_cst uint8_t hessians_are_constant Y_DTYPE_C l2_regularization Y_DTYPE_C min_hessian_to_split unsigned int min_samples_leaf Y_DTYPE_C min_gain_to_split Y_DTYPE_C feature_fraction_per_split rng unsigned int [::1] partition unsigned int [::1] left_indices_buffer unsigned int [::1] right_indices_buffer int n_threads def __init__(self, const X_BINNED_DTYPE_C [::1, :] X_binned, const unsigned int [::1] n_bins_non_missing, const uint8_t missing_values_bin_idx, const uint8_t [::1] has_missing_values, const uint8_t [::1] is_categorical, const signed char [::1] monotonic_cst, Y_DTYPE_C l2_regularization, Y_DTYPE_C min_hessian_to_split=1e-3, unsigned int min_samples_leaf=20, Y_DTYPE_C min_gain_to_split=0., uint8_t hessians_are_constant=False, Y_DTYPE_C feature_fraction_per_split=1.0, rng=np.random.RandomState(), unsigned int n_threads=1): self.X_binned = X_binned self.n_features = X_binned.shape[1] self.n_bins_non_missing = n_bins_non_missing self.missing_values_bin_idx = missing_values_bin_idx self.has_missing_values = has_missing_values self.is_categorical = is_categorical self.monotonic_cst = monotonic_cst self.l2_regularization = l2_regularization self.min_hessian_to_split = min_hessian_to_split self.min_samples_leaf = min_samples_leaf self.min_gain_to_split = min_gain_to_split self.hessians_are_constant = hessians_are_constant self.feature_fraction_per_split = feature_fraction_per_split self.rng = rng self.n_threads = n_threads # The partition array maps each sample index into the leaves of the # tree (a leaf in this context is a node that isn't split yet, not # necessarily a 'finalized' leaf). Initially, the root contains all # the indices, e.g.: # partition = [abcdefghijkl] # After a call to split_indices, it may look e.g. like this: # partition = [cef|abdghijkl] # we have 2 leaves, the left one is at position 0 and the second one at # position 3. The order of the samples is irrelevant. self.partition = np.arange(X_binned.shape[0], dtype=np.uint32) # buffers used in split_indices to support parallel splitting. self.left_indices_buffer = np.empty_like(self.partition) self.right_indices_buffer = np.empty_like(self.partition) def split_indices(Splitter self, split_info, unsigned int [::1] sample_indices): """Split samples into left and right arrays. The split is performed according to the best possible split (split_info). Ultimately, this is nothing but a partition of the sample_indices array with a given pivot, exactly like a quicksort subroutine. Parameters ---------- split_info : SplitInfo The SplitInfo of the node to split. sample_indices : ndarray of unsigned int, shape (n_samples_at_node,) The indices of the samples at the node to split. This is a view on self.partition, and it is modified inplace by placing the indices of the left child at the beginning, and the indices of the right child at the end. Returns ------- left_indices : ndarray of int, shape (n_left_samples,) The indices of the samples in the left child. This is a view on self.partition. right_indices : ndarray of int, shape (n_right_samples,) The indices of the samples in the right child. This is a view on self.partition. right_child_position : int The position of the right child in ``sample_indices``. """ # This is a multi-threaded implementation inspired by lightgbm. Here # is a quick break down. Let's suppose we want to split a node with 24 # samples named from a to x. self.partition looks like this (the * are # indices in other leaves that we don't care about): # partition = [*************abcdefghijklmnopqrstuvwx****************] # ^ ^ # node_position node_position + node.n_samples # Ultimately, we want to reorder the samples inside the boundaries of # the leaf (which becomes a node) to now represent the samples in its # left and right child. For example: # partition = [*************abefilmnopqrtuxcdghjksvw*****************] # ^ ^ # left_child_pos right_child_pos # Note that left_child_pos always takes the value of node_position, # and right_child_pos = left_child_pos + left_child.n_samples. The # order of the samples inside a leaf is irrelevant. # 1. sample_indices is a view on this region a..x. We conceptually # divide it into n_threads regions. Each thread will be responsible # for its own region. Here is an example with 4 threads: # sample_indices = [abcdef|ghijkl|mnopqr|stuvwx] # 2. Each thread processes 6 = 24 // 4 entries and maps them into # left_indices_buffer or right_indices_buffer. For example, we could # have the following mapping ('.' denotes an undefined entry): # - left_indices_buffer = [abef..|il....|mnopqr|tux...] # - right_indices_buffer = [cd....|ghjk..|......|svw...] # 3. We keep track of the start positions of the regions (the '|') in # ``offset_in_buffers`` as well as the size of each region. We also # keep track of the number of samples put into the left/right child # by each thread. Concretely: # - left_counts = [4, 2, 6, 3] # - right_counts = [2, 4, 0, 3] # 4. Finally, we put left/right_indices_buffer back into the # sample_indices, without any undefined entries and the partition # looks as expected # partition = [*************abefilmnopqrtuxcdghjksvw***************] # Note: We here show left/right_indices_buffer as being the same size # as sample_indices for simplicity, but in reality they are of the # same size as partition. cdef: int n_samples = sample_indices.shape[0] X_BINNED_DTYPE_C bin_idx = split_info.bin_idx uint8_t missing_go_to_left = split_info.missing_go_to_left uint8_t missing_values_bin_idx = self.missing_values_bin_idx int feature_idx = split_info.feature_idx const X_BINNED_DTYPE_C [::1] X_binned = \ self.X_binned[:, feature_idx] unsigned int [::1] left_indices_buffer = self.left_indices_buffer unsigned int [::1] right_indices_buffer = self.right_indices_buffer uint8_t is_categorical = split_info.is_categorical # Cython is unhappy if we set left_cat_bitset to # split_info.left_cat_bitset directly, so we need a tmp var BITSET_INNER_DTYPE_C [:] cat_bitset_tmp = split_info.left_cat_bitset BITSET_DTYPE_C left_cat_bitset int n_threads = self.n_threads int [:] sizes = np.full(n_threads, n_samples // n_threads, dtype=np.int32) int [:] offset_in_buffers = np.zeros(n_threads, dtype=np.int32) int [:] left_counts = np.empty(n_threads, dtype=np.int32) int [:] right_counts = np.empty(n_threads, dtype=np.int32) int left_count int right_count int start int stop int i int thread_idx int sample_idx int right_child_position uint8_t turn_left int [:] left_offset = np.zeros(n_threads, dtype=np.int32) int [:] right_offset = np.zeros(n_threads, dtype=np.int32) # only set left_cat_bitset when is_categorical is True if is_categorical: left_cat_bitset = &cat_bitset_tmp[0] with nogil: for thread_idx in range(n_samples % n_threads): sizes[thread_idx] += 1 for thread_idx in range(1, n_threads): offset_in_buffers[thread_idx] = \ offset_in_buffers[thread_idx - 1] + sizes[thread_idx - 1] # map indices from sample_indices to left/right_indices_buffer for thread_idx in prange(n_threads, schedule='static', chunksize=1, num_threads=n_threads): left_count = 0 right_count = 0 start = offset_in_buffers[thread_idx] stop = start + sizes[thread_idx] for i in range(start, stop): sample_idx = sample_indices[i] turn_left = sample_goes_left( missing_go_to_left, missing_values_bin_idx, bin_idx, X_binned[sample_idx], is_categorical, left_cat_bitset) if turn_left: left_indices_buffer[start + left_count] = sample_idx left_count = left_count + 1 else: right_indices_buffer[start + right_count] = sample_idx right_count = right_count + 1 left_counts[thread_idx] = left_count right_counts[thread_idx] = right_count # position of right child = just after the left child right_child_position = 0 for thread_idx in range(n_threads): right_child_position += left_counts[thread_idx] # offset of each thread in sample_indices for left and right # child, i.e. where each thread will start to write. right_offset[0] = right_child_position for thread_idx in range(1, n_threads): left_offset[thread_idx] = \ left_offset[thread_idx - 1] + left_counts[thread_idx - 1] right_offset[thread_idx] = \ right_offset[thread_idx - 1] + right_counts[thread_idx - 1] # map indices in left/right_indices_buffer back into # sample_indices. This also updates self.partition since # sample_indices is a view. for thread_idx in prange(n_threads, schedule='static', chunksize=1, num_threads=n_threads): memcpy( &sample_indices[left_offset[thread_idx]], &left_indices_buffer[offset_in_buffers[thread_idx]], sizeof(unsigned int) * left_counts[thread_idx] ) if right_counts[thread_idx] > 0: # If we're splitting the rightmost node of the tree, i.e. the # rightmost node in the partition array, and if n_threads >= 2, one # might have right_counts[-1] = 0 and right_offset[-1] = len(sample_indices) # leading to evaluating # # &sample_indices[right_offset[-1]] = &samples_indices[n_samples_at_node] # = &partition[n_samples_in_tree] # # which is an out-of-bounds read access that can cause a segmentation fault. # When boundscheck=True, removing this check produces this exception: # # IndexError: Out of bounds on buffer access # memcpy( &sample_indices[right_offset[thread_idx]], &right_indices_buffer[offset_in_buffers[thread_idx]], sizeof(unsigned int) * right_counts[thread_idx] ) return (sample_indices[:right_child_position], sample_indices[right_child_position:], right_child_position) def find_node_split( Splitter self, unsigned int n_samples, hist_struct [:, ::1] histograms, # IN const Y_DTYPE_C sum_gradients, const Y_DTYPE_C sum_hessians, const Y_DTYPE_C value, const Y_DTYPE_C lower_bound=-INFINITY, const Y_DTYPE_C upper_bound=INFINITY, const unsigned int [:] allowed_features=None, ): """For each feature, find the best bin to split on at a given node. Return the best split info among all features. Parameters ---------- n_samples : int The number of samples at the node. histograms : ndarray of HISTOGRAM_DTYPE of \ shape (n_features, max_bins) The histograms of the current node. sum_gradients : float The sum of the gradients for each sample at the node. sum_hessians : float The sum of the hessians for each sample at the node. value : float The bounded value of the current node. We directly pass the value instead of re-computing it from sum_gradients and sum_hessians, because we need to compute the loss and the gain based on the *bounded* value: computing the value from sum_gradients / sum_hessians would give the unbounded value, and the interaction with min_gain_to_split would not be correct anymore. Side note: we can't use the lower_bound / upper_bound parameters either because these refer to the bounds of the children, not the bounds of the current node. lower_bound : float Lower bound for the children values for respecting the monotonic constraints. upper_bound : float Upper bound for the children values for respecting the monotonic constraints. allowed_features : None or ndarray, dtype=np.uint32 Indices of the features that are allowed by interaction constraints to be split. Returns ------- best_split_info : SplitInfo The info about the best possible split among all features. """ cdef: int feature_idx int split_info_idx int best_split_info_idx int n_allowed_features split_info_struct split_info split_info_struct * split_infos const uint8_t [::1] has_missing_values = self.has_missing_values const uint8_t [::1] is_categorical = self.is_categorical const signed char [::1] monotonic_cst = self.monotonic_cst int n_threads = self.n_threads bint has_interaction_cst = False Y_DTYPE_C feature_fraction_per_split = self.feature_fraction_per_split uint8_t [:] subsample_mask # same as npy_bool int n_subsampled_features uint8_t missing_go_to_left has_interaction_cst = allowed_features is not None if has_interaction_cst: n_allowed_features = allowed_features.shape[0] else: n_allowed_features = self.n_features if feature_fraction_per_split < 1.0: # We do all random sampling before the nogil and make sure that we sample # exactly n_subsampled_features >= 1 features. n_subsampled_features = max( 1, int(ceil(feature_fraction_per_split * n_allowed_features)), ) subsample_mask_arr = np.full(n_allowed_features, False) subsample_mask_arr[:n_subsampled_features] = True self.rng.shuffle(subsample_mask_arr) # https://github.com/numpy/numpy/issues/18273 subsample_mask = subsample_mask_arr with nogil: split_infos = <split_info_struct *> malloc( n_allowed_features * sizeof(split_info_struct)) # split_info_idx is index of split_infos of size n_allowed_features. # features_idx is the index of the feature column in X. for split_info_idx in prange(n_allowed_features, schedule='static', num_threads=n_threads): if has_interaction_cst: feature_idx = allowed_features[split_info_idx] else: feature_idx = split_info_idx split_infos[split_info_idx].feature_idx = feature_idx # For each feature, find best bin to split on # Start with a gain of -1 if no better split is found, that # means one of the constraints isn't respected # (min_samples_leaf, etc.) and the grower will later turn the # node into a leaf. split_infos[split_info_idx].gain = -1 split_infos[split_info_idx].is_categorical = is_categorical[feature_idx] # Note that subsample_mask is indexed by split_info_idx and not by # feature_idx because we only need to exclude the same features again # and again. We do NOT need to access the features directly by using # allowed_features. if feature_fraction_per_split < 1.0 and not subsample_mask[split_info_idx]: continue if is_categorical[feature_idx]: self._find_best_bin_to_split_category( feature_idx, has_missing_values[feature_idx], histograms, n_samples, sum_gradients, sum_hessians, value, monotonic_cst[feature_idx], lower_bound, upper_bound, &split_infos[split_info_idx]) else: # We scan bins from left to right and, if there are any # missing values, we scan a second time with missing # values in the left child. This way, we can consider # whichever case yields the best gain: either missing # values go to the right or to the left. See algo 3 from # the XGBoost paper # https://arxiv.org/abs/1603.02754 # Note: for the categorical features above, this isn't # needed since missing values are considered a native # category. for missing_go_to_left in range(has_missing_values[feature_idx] + 1): self._find_best_bin_to_split_numerical( feature_idx, has_missing_values[feature_idx], histograms, n_samples, sum_gradients, sum_hessians, value, monotonic_cst[feature_idx], lower_bound, upper_bound, missing_go_to_left, &split_infos[split_info_idx]) # then compute best possible split among all features # split_info is set to the best of split_infos best_split_info_idx = self._find_best_feature_to_split_helper( split_infos, n_allowed_features ) split_info = split_infos[best_split_info_idx] out = SplitInfo( split_info.gain, split_info.feature_idx, split_info.bin_idx, split_info.missing_go_to_left, split_info.sum_gradient_left, split_info.sum_hessian_left, split_info.sum_gradient_right, split_info.sum_hessian_right, split_info.n_samples_left, split_info.n_samples_right, split_info.value_left, split_info.value_right, split_info.is_categorical, None, # left_cat_bitset will only be set if the split is categorical ) # Only set bitset if the split is categorical if split_info.is_categorical: out.left_cat_bitset = np.asarray(split_info.left_cat_bitset, dtype=np.uint32) free(split_infos) return out cdef int _find_best_feature_to_split_helper( self, split_info_struct * split_infos, # IN int n_allowed_features, ) noexcept nogil: """Return the index of split_infos with the best feature split.""" cdef: int split_info_idx int best_split_info_idx = 0 for split_info_idx in range(1, n_allowed_features): if (split_infos[split_info_idx].gain > split_infos[best_split_info_idx].gain): best_split_info_idx = split_info_idx return best_split_info_idx cdef void _find_best_bin_to_split_numerical( Splitter self, unsigned int feature_idx, uint8_t has_missing_values, const hist_struct [:, ::1] histograms, # IN unsigned int n_samples, Y_DTYPE_C sum_gradients, Y_DTYPE_C sum_hessians, Y_DTYPE_C value, signed char monotonic_cst, Y_DTYPE_C lower_bound, Y_DTYPE_C upper_bound, uint8_t missing_go_to_left, split_info_struct * split_info) noexcept nogil: # OUT """Find best bin to split on for a given feature. Splits that do not satisfy the splitting constraints (min_gain_to_split, etc.) are discarded here. We scan node from left to right. When missing_go_to_left is True, the scan starts by adding the missing-value bin to the left child before scanning the non-missing bins. """ cdef: int bin_idx unsigned int hist_bin_idx int n_bins_non_missing = self.n_bins_non_missing[feature_idx] unsigned int n_samples_left unsigned int n_samples_right unsigned int n_samples_ = n_samples int start int end Y_DTYPE_C sum_hessian_left Y_DTYPE_C sum_hessian_right Y_DTYPE_C sum_gradient_left Y_DTYPE_C sum_gradient_right Y_DTYPE_C loss_current_node Y_DTYPE_C gain uint8_t found_better_split = False Y_DTYPE_C best_sum_hessian_left Y_DTYPE_C best_sum_gradient_left unsigned int best_bin_idx unsigned int best_n_samples_left Y_DTYPE_C best_gain = split_info.gain hist_struct hist sum_gradient_left, sum_hessian_left = 0., 0. n_samples_left = 0 loss_current_node = _loss_from_value(value, sum_gradients) # When missing_go_to_left is true, bin_idx == -1 maps to the missing # bin. Missing values are always in the last bin. start = -missing_go_to_left # Do not put the last non-missing bin in the left child unless # missing values can still go to the right child. end = n_bins_non_missing - 1 + has_missing_values * (1 - missing_go_to_left) for bin_idx in range(start, end): if bin_idx == -1: hist_bin_idx = self.missing_values_bin_idx else: hist_bin_idx = bin_idx hist = histograms[feature_idx, hist_bin_idx] n_samples_left += hist.count n_samples_right = n_samples_ - n_samples_left if self.hessians_are_constant: sum_hessian_left += hist.count else: sum_hessian_left += \ hist.sum_hessians sum_hessian_right = sum_hessians - sum_hessian_left sum_gradient_left += hist.sum_gradients sum_gradient_right = sum_gradients - sum_gradient_left if bin_idx == -1: # This iteration only adds missing values to the left child. # The corresponding all-non-missing-values-on-one-side split # is already considered when missing_go_to_left is False. continue if n_samples_left < self.min_samples_leaf: continue if n_samples_right < self.min_samples_leaf: # won't get any better break if sum_hessian_left < self.min_hessian_to_split: continue if sum_hessian_right < self.min_hessian_to_split: # won't get any better (hessians are > 0 since loss is convex) break gain = _split_gain(sum_gradient_left, sum_hessian_left, sum_gradient_right, sum_hessian_right, loss_current_node, monotonic_cst, lower_bound, upper_bound, self.l2_regularization) if gain > best_gain and gain > self.min_gain_to_split: found_better_split = True best_gain = gain best_bin_idx = bin_idx best_sum_gradient_left = sum_gradient_left best_sum_hessian_left = sum_hessian_left best_n_samples_left = n_samples_left if found_better_split: split_info.gain = best_gain split_info.bin_idx = best_bin_idx split_info.missing_go_to_left = missing_go_to_left split_info.sum_gradient_left = best_sum_gradient_left split_info.sum_gradient_right = sum_gradients - best_sum_gradient_left split_info.sum_hessian_left = best_sum_hessian_left split_info.sum_hessian_right = sum_hessians - best_sum_hessian_left split_info.n_samples_left = best_n_samples_left split_info.n_samples_right = n_samples - best_n_samples_left # We recompute best values here but it's cheap split_info.value_left = compute_node_value( split_info.sum_gradient_left, split_info.sum_hessian_left, lower_bound, upper_bound, self.l2_regularization) split_info.value_right = compute_node_value( split_info.sum_gradient_right, split_info.sum_hessian_right, lower_bound, upper_bound, self.l2_regularization) cdef void _find_best_bin_to_split_category( self, unsigned int feature_idx, uint8_t has_missing_values, const hist_struct [:, ::1] histograms, # IN unsigned int n_samples, Y_DTYPE_C sum_gradients, Y_DTYPE_C sum_hessians, Y_DTYPE_C value, char monotonic_cst, Y_DTYPE_C lower_bound, Y_DTYPE_C upper_bound, split_info_struct * split_info) noexcept nogil: # OUT """Find best split for categorical features. Categories are first sorted according to their variance, and then a scan is performed as if categories were ordered quantities. Ref: "On Grouping for Maximum Homogeneity", Walter D. Fisher """ cdef: unsigned int bin_idx unsigned int n_bins_non_missing = self.n_bins_non_missing[feature_idx] unsigned int missing_values_bin_idx = self.missing_values_bin_idx categorical_info * cat_infos unsigned int sorted_cat_idx unsigned int n_used_bins = 0 int [2] scan_direction int direction = 0 int best_direction = 0 unsigned int middle unsigned int i const hist_struct[::1] feature_hist = histograms[feature_idx, :] hist_struct hist Y_DTYPE_C sum_gradients_bin Y_DTYPE_C sum_hessians_bin Y_DTYPE_C loss_current_node Y_DTYPE_C sum_gradient_left, sum_hessian_left Y_DTYPE_C sum_gradient_right, sum_hessian_right unsigned int n_samples_left, n_samples_right Y_DTYPE_C gain Y_DTYPE_C best_gain = -1.0 uint8_t found_better_split = False Y_DTYPE_C best_sum_hessian_left Y_DTYPE_C best_sum_gradient_left unsigned int best_n_samples_left unsigned int best_cat_infos_thresh # Reduces the effect of noises in categorical features, # especially for categories with few data. Called cat_smooth in # LightGBM. TODO: Make this user adjustable? Y_DTYPE_C MIN_CAT_SUPPORT = 10. # this is equal to 1 for losses where hessians are constant Y_DTYPE_C support_factor = n_samples / sum_hessians # Details on the split finding: # We first order categories by their sum_gradients / sum_hessians # values, and we exclude categories that don't respect MIN_CAT_SUPPORT # from this sorted array. Missing values are treated just like any # other category. The low-support categories will always be mapped to # the right child. We scan the sorted categories array from left to # right and from right to left, and we stop at the middle. # Considering ordered categories A B C D, with E being a low-support # category: A B C D # ^ # midpoint # The scans will consider the following split-points: # * left to right: # A - B C D E # A B - C D E # * right to left: # D - A B C E # C D - A B E # Note that since we stop at the middle and since low-support # categories (E) are always mapped to the right, the following splits # aren't considered: # A E - B C D # D E - A B C # Basically, we're forcing E to always be mapped to the child that has # *at least half of the categories* (and this child is always the right # child, by convention). # Also note that if we scanned in only one direction (e.g. left to # right), we would only consider the following splits: # A - B C D E # A B - C D E # A B C - D E # and thus we would be missing on D - A B C E and on C D - A B E cat_infos = <categorical_info *> malloc( (n_bins_non_missing + has_missing_values) * sizeof(categorical_info)) # fill cat_infos while filtering out categories based on MIN_CAT_SUPPORT for bin_idx in range(n_bins_non_missing): hist = feature_hist[bin_idx] if self.hessians_are_constant: sum_hessians_bin = hist.count else: sum_hessians_bin = hist.sum_hessians if sum_hessians_bin * support_factor >= MIN_CAT_SUPPORT: cat_infos[n_used_bins].bin_idx = bin_idx sum_gradients_bin = hist.sum_gradients cat_infos[n_used_bins].value = ( sum_gradients_bin / (sum_hessians_bin + MIN_CAT_SUPPORT) ) n_used_bins += 1 # Also add missing values bin so that nans are considered as a category if has_missing_values: hist = feature_hist[missing_values_bin_idx] if self.hessians_are_constant: sum_hessians_bin = hist.count else: sum_hessians_bin = hist.sum_hessians if sum_hessians_bin * support_factor >= MIN_CAT_SUPPORT: cat_infos[n_used_bins].bin_idx = missing_values_bin_idx sum_gradients_bin = ( hist.sum_gradients ) cat_infos[n_used_bins].value = ( sum_gradients_bin / (sum_hessians_bin + MIN_CAT_SUPPORT) ) n_used_bins += 1 # not enough categories to form a split if n_used_bins <= 1: free(cat_infos) return qsort(cat_infos, n_used_bins, sizeof(categorical_info), compare_cat_infos) loss_current_node = _loss_from_value(value, sum_gradients) scan_direction[0], scan_direction[1] = 1, -1 for direction in scan_direction: if direction == 1: middle = (n_used_bins + 1) // 2 else: middle = (n_used_bins + 1) // 2 - 1 # The categories we'll consider will go to the left child sum_gradient_left, sum_hessian_left = 0., 0. n_samples_left = 0 for i in range(middle): sorted_cat_idx = i if direction == 1 else n_used_bins - 1 - i bin_idx = cat_infos[sorted_cat_idx].bin_idx hist = feature_hist[bin_idx] n_samples_left += hist.count n_samples_right = n_samples - n_samples_left if self.hessians_are_constant: sum_hessian_left += hist.count else: sum_hessian_left += hist.sum_hessians sum_hessian_right = sum_hessians - sum_hessian_left sum_gradient_left += hist.sum_gradients sum_gradient_right = sum_gradients - sum_gradient_left if ( n_samples_left < self.min_samples_leaf or sum_hessian_left < self.min_hessian_to_split ): continue if ( n_samples_right < self.min_samples_leaf or sum_hessian_right < self.min_hessian_to_split ): break gain = _split_gain(sum_gradient_left, sum_hessian_left, sum_gradient_right, sum_hessian_right, loss_current_node, monotonic_cst, lower_bound, upper_bound, self.l2_regularization) if gain > best_gain and gain > self.min_gain_to_split: found_better_split = True best_gain = gain best_cat_infos_thresh = sorted_cat_idx best_sum_gradient_left = sum_gradient_left best_sum_hessian_left = sum_hessian_left best_n_samples_left = n_samples_left best_direction = direction if found_better_split: split_info.gain = best_gain # split_info.bin_idx is unused for categorical splits: left_cat_bitset # is used instead and set below split_info.bin_idx = 0 split_info.sum_gradient_left = best_sum_gradient_left split_info.sum_gradient_right = sum_gradients - best_sum_gradient_left split_info.sum_hessian_left = best_sum_hessian_left split_info.sum_hessian_right = sum_hessians - best_sum_hessian_left split_info.n_samples_left = best_n_samples_left split_info.n_samples_right = n_samples - best_n_samples_left # We recompute best values here but it's cheap split_info.value_left = compute_node_value( split_info.sum_gradient_left, split_info.sum_hessian_left, lower_bound, upper_bound, self.l2_regularization) split_info.value_right = compute_node_value( split_info.sum_gradient_right, split_info.sum_hessian_right, lower_bound, upper_bound, self.l2_regularization) # create bitset with values from best_cat_infos_thresh init_bitset(split_info.left_cat_bitset) if best_direction == 1: for sorted_cat_idx in range(best_cat_infos_thresh + 1): bin_idx = cat_infos[sorted_cat_idx].bin_idx set_bitset(split_info.left_cat_bitset, bin_idx) else: for sorted_cat_idx in range(n_used_bins - 1, best_cat_infos_thresh - 1, -1): bin_idx = cat_infos[sorted_cat_idx].bin_idx set_bitset(split_info.left_cat_bitset, bin_idx) if has_missing_values: split_info.missing_go_to_left = in_bitset( split_info.left_cat_bitset, missing_values_bin_idx) free(cat_infos) cdef int compare_cat_infos(const void * a, const void * b) noexcept nogil: return -1 if (<categorical_info *>a).value < (<categorical_info *>b).value else 1 cdef inline Y_DTYPE_C _split_gain( Y_DTYPE_C sum_gradient_left, Y_DTYPE_C sum_hessian_left, Y_DTYPE_C sum_gradient_right, Y_DTYPE_C sum_hessian_right, Y_DTYPE_C loss_current_node, signed char monotonic_cst, Y_DTYPE_C lower_bound, Y_DTYPE_C upper_bound, Y_DTYPE_C l2_regularization) noexcept nogil: """Loss reduction Compute the reduction in loss after taking a split, compared to keeping the node a leaf of the tree. See Equation 7 of: :arxiv:`T. Chen, C. Guestrin, (2016) XGBoost: A Scalable Tree Boosting System, <1603.02754>.` """ cdef: Y_DTYPE_C gain Y_DTYPE_C value_left Y_DTYPE_C value_right # Compute values of potential left and right children value_left = compute_node_value(sum_gradient_left, sum_hessian_left, lower_bound, upper_bound, l2_regularization) value_right = compute_node_value(sum_gradient_right, sum_hessian_right, lower_bound, upper_bound, l2_regularization) if ((monotonic_cst == MonotonicConstraint.POS and value_left > value_right) or (monotonic_cst == MonotonicConstraint.NEG and value_left < value_right)): # don't consider this split since it does not respect the monotonic # constraints. Note that these comparisons need to be done on values # that have already been clipped to take the monotonic constraints into # account (if any). return -1 gain = loss_current_node gain -= _loss_from_value(value_left, sum_gradient_left) gain -= _loss_from_value(value_right, sum_gradient_right) # Note that for the gain to be correct (and for min_gain_to_split to work # as expected), we need all values to be bounded (current node, left child # and right child). return gain cdef inline Y_DTYPE_C _loss_from_value( Y_DTYPE_C value, Y_DTYPE_C sum_gradient) noexcept nogil: """Return loss of a node from its (bounded) value See Equation 6 of: :arxiv:`T. Chen, C. Guestrin, (2016) XGBoost: A Scalable Tree Boosting System, <1603.02754>.` """ return sum_gradient * value cdef inline uint8_t sample_goes_left( uint8_t missing_go_to_left, uint8_t missing_values_bin_idx, X_BINNED_DTYPE_C split_bin_idx, X_BINNED_DTYPE_C bin_value, uint8_t is_categorical, BITSET_DTYPE_C left_cat_bitset) noexcept nogil: """Helper to decide whether sample should go to left or right child.""" if is_categorical: # note: if any, missing values are encoded in left_cat_bitset return in_bitset(left_cat_bitset, bin_value) else: return ( ( missing_go_to_left and bin_value == missing_values_bin_idx ) or ( bin_value <= split_bin_idx )) cpdef inline Y_DTYPE_C compute_node_value( Y_DTYPE_C sum_gradient, Y_DTYPE_C sum_hessian, Y_DTYPE_C lower_bound, Y_DTYPE_C upper_bound, Y_DTYPE_C l2_regularization) noexcept nogil: """Compute a node's value. The value is capped in the [lower_bound, upper_bound] interval to respect monotonic constraints. Shrinkage is ignored. See Equation 5 of: :arxiv:`T. Chen, C. Guestrin, (2016) XGBoost: A Scalable Tree Boosting System, <1603.02754>.` """ cdef: Y_DTYPE_C value value = -sum_gradient / (sum_hessian + l2_regularization + 1e-15) if value < lower_bound: value = lower_bound elif value > upper_bound: value = upper_bound return value