peacock-data-public-datasets-idc-cronscript
/
venv
/lib
/python3.10
/site-packages
/sklearn
/neighbors
/_base.py
"""Base and mixin classes for nearest neighbors.""" | |
# Authors: Jake Vanderplas <[email protected]> | |
# Fabian Pedregosa <[email protected]> | |
# Alexandre Gramfort <[email protected]> | |
# Sparseness support by Lars Buitinck | |
# Multi-output support by Arnaud Joly <[email protected]> | |
# | |
# License: BSD 3 clause (C) INRIA, University of Amsterdam | |
import itertools | |
import numbers | |
import warnings | |
from abc import ABCMeta, abstractmethod | |
from functools import partial | |
from numbers import Integral, Real | |
import numpy as np | |
from joblib import effective_n_jobs | |
from scipy.sparse import csr_matrix, issparse | |
from ..base import BaseEstimator, MultiOutputMixin, is_classifier | |
from ..exceptions import DataConversionWarning, EfficiencyWarning | |
from ..metrics import DistanceMetric, pairwise_distances_chunked | |
from ..metrics._pairwise_distances_reduction import ( | |
ArgKmin, | |
RadiusNeighbors, | |
) | |
from ..metrics.pairwise import PAIRWISE_DISTANCE_FUNCTIONS | |
from ..utils import ( | |
_to_object_array, | |
check_array, | |
gen_even_slices, | |
) | |
from ..utils._param_validation import Interval, StrOptions, validate_params | |
from ..utils.fixes import parse_version, sp_base_version | |
from ..utils.multiclass import check_classification_targets | |
from ..utils.parallel import Parallel, delayed | |
from ..utils.validation import check_is_fitted, check_non_negative | |
from ._ball_tree import BallTree | |
from ._kd_tree import KDTree | |
SCIPY_METRICS = [ | |
"braycurtis", | |
"canberra", | |
"chebyshev", | |
"correlation", | |
"cosine", | |
"dice", | |
"hamming", | |
"jaccard", | |
"mahalanobis", | |
"minkowski", | |
"rogerstanimoto", | |
"russellrao", | |
"seuclidean", | |
"sokalmichener", | |
"sokalsneath", | |
"sqeuclidean", | |
"yule", | |
] | |
if sp_base_version < parse_version("1.11"): | |
# Deprecated in SciPy 1.9 and removed in SciPy 1.11 | |
SCIPY_METRICS += ["kulsinski"] | |
if sp_base_version < parse_version("1.9"): | |
# Deprecated in SciPy 1.0 and removed in SciPy 1.9 | |
SCIPY_METRICS += ["matching"] | |
VALID_METRICS = dict( | |
ball_tree=BallTree.valid_metrics, | |
kd_tree=KDTree.valid_metrics, | |
# The following list comes from the | |
# sklearn.metrics.pairwise doc string | |
brute=sorted(set(PAIRWISE_DISTANCE_FUNCTIONS).union(SCIPY_METRICS)), | |
) | |
VALID_METRICS_SPARSE = dict( | |
ball_tree=[], | |
kd_tree=[], | |
brute=(PAIRWISE_DISTANCE_FUNCTIONS.keys() - {"haversine", "nan_euclidean"}), | |
) | |
def _get_weights(dist, weights): | |
"""Get the weights from an array of distances and a parameter ``weights``. | |
Assume weights have already been validated. | |
Parameters | |
---------- | |
dist : ndarray | |
The input distances. | |
weights : {'uniform', 'distance'}, callable or None | |
The kind of weighting used. | |
Returns | |
------- | |
weights_arr : array of the same shape as ``dist`` | |
If ``weights == 'uniform'``, then returns None. | |
""" | |
if weights in (None, "uniform"): | |
return None | |
if weights == "distance": | |
# if user attempts to classify a point that was zero distance from one | |
# or more training points, those training points are weighted as 1.0 | |
# and the other points as 0.0 | |
if dist.dtype is np.dtype(object): | |
for point_dist_i, point_dist in enumerate(dist): | |
# check if point_dist is iterable | |
# (ex: RadiusNeighborClassifier.predict may set an element of | |
# dist to 1e-6 to represent an 'outlier') | |
if hasattr(point_dist, "__contains__") and 0.0 in point_dist: | |
dist[point_dist_i] = point_dist == 0.0 | |
else: | |
dist[point_dist_i] = 1.0 / point_dist | |
else: | |
with np.errstate(divide="ignore"): | |
dist = 1.0 / dist | |
inf_mask = np.isinf(dist) | |
inf_row = np.any(inf_mask, axis=1) | |
dist[inf_row] = inf_mask[inf_row] | |
return dist | |
if callable(weights): | |
return weights(dist) | |
def _is_sorted_by_data(graph): | |
"""Return whether the graph's non-zero entries are sorted by data. | |
The non-zero entries are stored in graph.data and graph.indices. | |
For each row (or sample), the non-zero entries can be either: | |
- sorted by indices, as after graph.sort_indices(); | |
- sorted by data, as after _check_precomputed(graph); | |
- not sorted. | |
Parameters | |
---------- | |
graph : sparse matrix of shape (n_samples, n_samples) | |
Neighbors graph as given by `kneighbors_graph` or | |
`radius_neighbors_graph`. Matrix should be of format CSR format. | |
Returns | |
------- | |
res : bool | |
Whether input graph is sorted by data. | |
""" | |
assert graph.format == "csr" | |
out_of_order = graph.data[:-1] > graph.data[1:] | |
line_change = np.unique(graph.indptr[1:-1] - 1) | |
line_change = line_change[line_change < out_of_order.shape[0]] | |
return out_of_order.sum() == out_of_order[line_change].sum() | |
def _check_precomputed(X): | |
"""Check precomputed distance matrix. | |
If the precomputed distance matrix is sparse, it checks that the non-zero | |
entries are sorted by distances. If not, the matrix is copied and sorted. | |
Parameters | |
---------- | |
X : {sparse matrix, array-like}, (n_samples, n_samples) | |
Distance matrix to other samples. X may be a sparse matrix, in which | |
case only non-zero elements may be considered neighbors. | |
Returns | |
------- | |
X : {sparse matrix, array-like}, (n_samples, n_samples) | |
Distance matrix to other samples. X may be a sparse matrix, in which | |
case only non-zero elements may be considered neighbors. | |
""" | |
if not issparse(X): | |
X = check_array(X) | |
check_non_negative(X, whom="precomputed distance matrix.") | |
return X | |
else: | |
graph = X | |
if graph.format not in ("csr", "csc", "coo", "lil"): | |
raise TypeError( | |
"Sparse matrix in {!r} format is not supported due to " | |
"its handling of explicit zeros".format(graph.format) | |
) | |
copied = graph.format != "csr" | |
graph = check_array(graph, accept_sparse="csr") | |
check_non_negative(graph, whom="precomputed distance matrix.") | |
graph = sort_graph_by_row_values(graph, copy=not copied, warn_when_not_sorted=True) | |
return graph | |
def sort_graph_by_row_values(graph, copy=False, warn_when_not_sorted=True): | |
"""Sort a sparse graph such that each row is stored with increasing values. | |
.. versionadded:: 1.2 | |
Parameters | |
---------- | |
graph : sparse matrix of shape (n_samples, n_samples) | |
Distance matrix to other samples, where only non-zero elements are | |
considered neighbors. Matrix is converted to CSR format if not already. | |
copy : bool, default=False | |
If True, the graph is copied before sorting. If False, the sorting is | |
performed inplace. If the graph is not of CSR format, `copy` must be | |
True to allow the conversion to CSR format, otherwise an error is | |
raised. | |
warn_when_not_sorted : bool, default=True | |
If True, a :class:`~sklearn.exceptions.EfficiencyWarning` is raised | |
when the input graph is not sorted by row values. | |
Returns | |
------- | |
graph : sparse matrix of shape (n_samples, n_samples) | |
Distance matrix to other samples, where only non-zero elements are | |
considered neighbors. Matrix is in CSR format. | |
Examples | |
-------- | |
>>> from scipy.sparse import csr_matrix | |
>>> from sklearn.neighbors import sort_graph_by_row_values | |
>>> X = csr_matrix( | |
... [[0., 3., 1.], | |
... [3., 0., 2.], | |
... [1., 2., 0.]]) | |
>>> X.data | |
array([3., 1., 3., 2., 1., 2.]) | |
>>> X_ = sort_graph_by_row_values(X) | |
>>> X_.data | |
array([1., 3., 2., 3., 1., 2.]) | |
""" | |
if graph.format == "csr" and _is_sorted_by_data(graph): | |
return graph | |
if warn_when_not_sorted: | |
warnings.warn( | |
( | |
"Precomputed sparse input was not sorted by row values. Use the" | |
" function sklearn.neighbors.sort_graph_by_row_values to sort the input" | |
" by row values, with warn_when_not_sorted=False to remove this" | |
" warning." | |
), | |
EfficiencyWarning, | |
) | |
if graph.format not in ("csr", "csc", "coo", "lil"): | |
raise TypeError( | |
f"Sparse matrix in {graph.format!r} format is not supported due to " | |
"its handling of explicit zeros" | |
) | |
elif graph.format != "csr": | |
if not copy: | |
raise ValueError( | |
"The input graph is not in CSR format. Use copy=True to allow " | |
"the conversion to CSR format." | |
) | |
graph = graph.asformat("csr") | |
elif copy: # csr format with copy=True | |
graph = graph.copy() | |
row_nnz = np.diff(graph.indptr) | |
if row_nnz.max() == row_nnz.min(): | |
# if each sample has the same number of provided neighbors | |
n_samples = graph.shape[0] | |
distances = graph.data.reshape(n_samples, -1) | |
order = np.argsort(distances, kind="mergesort") | |
order += np.arange(n_samples)[:, None] * row_nnz[0] | |
order = order.ravel() | |
graph.data = graph.data[order] | |
graph.indices = graph.indices[order] | |
else: | |
for start, stop in zip(graph.indptr, graph.indptr[1:]): | |
order = np.argsort(graph.data[start:stop], kind="mergesort") | |
graph.data[start:stop] = graph.data[start:stop][order] | |
graph.indices[start:stop] = graph.indices[start:stop][order] | |
return graph | |
def _kneighbors_from_graph(graph, n_neighbors, return_distance): | |
"""Decompose a nearest neighbors sparse graph into distances and indices. | |
Parameters | |
---------- | |
graph : sparse matrix of shape (n_samples, n_samples) | |
Neighbors graph as given by `kneighbors_graph` or | |
`radius_neighbors_graph`. Matrix should be of format CSR format. | |
n_neighbors : int | |
Number of neighbors required for each sample. | |
return_distance : bool | |
Whether or not to return the distances. | |
Returns | |
------- | |
neigh_dist : ndarray of shape (n_samples, n_neighbors) | |
Distances to nearest neighbors. Only present if `return_distance=True`. | |
neigh_ind : ndarray of shape (n_samples, n_neighbors) | |
Indices of nearest neighbors. | |
""" | |
n_samples = graph.shape[0] | |
assert graph.format == "csr" | |
# number of neighbors by samples | |
row_nnz = np.diff(graph.indptr) | |
row_nnz_min = row_nnz.min() | |
if n_neighbors is not None and row_nnz_min < n_neighbors: | |
raise ValueError( | |
"%d neighbors per samples are required, but some samples have only" | |
" %d neighbors in precomputed graph matrix. Decrease number of " | |
"neighbors used or recompute the graph with more neighbors." | |
% (n_neighbors, row_nnz_min) | |
) | |
def extract(a): | |
# if each sample has the same number of provided neighbors | |
if row_nnz.max() == row_nnz_min: | |
return a.reshape(n_samples, -1)[:, :n_neighbors] | |
else: | |
idx = np.tile(np.arange(n_neighbors), (n_samples, 1)) | |
idx += graph.indptr[:-1, None] | |
return a.take(idx, mode="clip").reshape(n_samples, n_neighbors) | |
if return_distance: | |
return extract(graph.data), extract(graph.indices) | |
else: | |
return extract(graph.indices) | |
def _radius_neighbors_from_graph(graph, radius, return_distance): | |
"""Decompose a nearest neighbors sparse graph into distances and indices. | |
Parameters | |
---------- | |
graph : sparse matrix of shape (n_samples, n_samples) | |
Neighbors graph as given by `kneighbors_graph` or | |
`radius_neighbors_graph`. Matrix should be of format CSR format. | |
radius : float | |
Radius of neighborhoods which should be strictly positive. | |
return_distance : bool | |
Whether or not to return the distances. | |
Returns | |
------- | |
neigh_dist : ndarray of shape (n_samples,) of arrays | |
Distances to nearest neighbors. Only present if `return_distance=True`. | |
neigh_ind : ndarray of shape (n_samples,) of arrays | |
Indices of nearest neighbors. | |
""" | |
assert graph.format == "csr" | |
no_filter_needed = bool(graph.data.max() <= radius) | |
if no_filter_needed: | |
data, indices, indptr = graph.data, graph.indices, graph.indptr | |
else: | |
mask = graph.data <= radius | |
if return_distance: | |
data = np.compress(mask, graph.data) | |
indices = np.compress(mask, graph.indices) | |
indptr = np.concatenate(([0], np.cumsum(mask)))[graph.indptr] | |
indices = indices.astype(np.intp, copy=no_filter_needed) | |
if return_distance: | |
neigh_dist = _to_object_array(np.split(data, indptr[1:-1])) | |
neigh_ind = _to_object_array(np.split(indices, indptr[1:-1])) | |
if return_distance: | |
return neigh_dist, neigh_ind | |
else: | |
return neigh_ind | |
class NeighborsBase(MultiOutputMixin, BaseEstimator, metaclass=ABCMeta): | |
"""Base class for nearest neighbors estimators.""" | |
_parameter_constraints: dict = { | |
"n_neighbors": [Interval(Integral, 1, None, closed="left"), None], | |
"radius": [Interval(Real, 0, None, closed="both"), None], | |
"algorithm": [StrOptions({"auto", "ball_tree", "kd_tree", "brute"})], | |
"leaf_size": [Interval(Integral, 1, None, closed="left")], | |
"p": [Interval(Real, 0, None, closed="right"), None], | |
"metric": [StrOptions(set(itertools.chain(*VALID_METRICS.values()))), callable], | |
"metric_params": [dict, None], | |
"n_jobs": [Integral, None], | |
} | |
def __init__( | |
self, | |
n_neighbors=None, | |
radius=None, | |
algorithm="auto", | |
leaf_size=30, | |
metric="minkowski", | |
p=2, | |
metric_params=None, | |
n_jobs=None, | |
): | |
self.n_neighbors = n_neighbors | |
self.radius = radius | |
self.algorithm = algorithm | |
self.leaf_size = leaf_size | |
self.metric = metric | |
self.metric_params = metric_params | |
self.p = p | |
self.n_jobs = n_jobs | |
def _check_algorithm_metric(self): | |
if self.algorithm == "auto": | |
if self.metric == "precomputed": | |
alg_check = "brute" | |
elif ( | |
callable(self.metric) | |
or self.metric in VALID_METRICS["ball_tree"] | |
or isinstance(self.metric, DistanceMetric) | |
): | |
alg_check = "ball_tree" | |
else: | |
alg_check = "brute" | |
else: | |
alg_check = self.algorithm | |
if callable(self.metric): | |
if self.algorithm == "kd_tree": | |
# callable metric is only valid for brute force and ball_tree | |
raise ValueError( | |
"kd_tree does not support callable metric '%s'" | |
"Function call overhead will result" | |
"in very poor performance." | |
% self.metric | |
) | |
elif self.metric not in VALID_METRICS[alg_check] and not isinstance( | |
self.metric, DistanceMetric | |
): | |
raise ValueError( | |
"Metric '%s' not valid. Use " | |
"sorted(sklearn.neighbors.VALID_METRICS['%s']) " | |
"to get valid options. " | |
"Metric can also be a callable function." % (self.metric, alg_check) | |
) | |
if self.metric_params is not None and "p" in self.metric_params: | |
if self.p is not None: | |
warnings.warn( | |
( | |
"Parameter p is found in metric_params. " | |
"The corresponding parameter from __init__ " | |
"is ignored." | |
), | |
SyntaxWarning, | |
stacklevel=3, | |
) | |
def _fit(self, X, y=None): | |
if self._get_tags()["requires_y"]: | |
if not isinstance(X, (KDTree, BallTree, NeighborsBase)): | |
X, y = self._validate_data( | |
X, y, accept_sparse="csr", multi_output=True, order="C" | |
) | |
if is_classifier(self): | |
# Classification targets require a specific format | |
if y.ndim == 1 or y.ndim == 2 and y.shape[1] == 1: | |
if y.ndim != 1: | |
warnings.warn( | |
( | |
"A column-vector y was passed when a " | |
"1d array was expected. Please change " | |
"the shape of y to (n_samples,), for " | |
"example using ravel()." | |
), | |
DataConversionWarning, | |
stacklevel=2, | |
) | |
self.outputs_2d_ = False | |
y = y.reshape((-1, 1)) | |
else: | |
self.outputs_2d_ = True | |
check_classification_targets(y) | |
self.classes_ = [] | |
# Using `dtype=np.intp` is necessary since `np.bincount` | |
# (called in _classification.py) fails when dealing | |
# with a float64 array on 32bit systems. | |
self._y = np.empty(y.shape, dtype=np.intp) | |
for k in range(self._y.shape[1]): | |
classes, self._y[:, k] = np.unique(y[:, k], return_inverse=True) | |
self.classes_.append(classes) | |
if not self.outputs_2d_: | |
self.classes_ = self.classes_[0] | |
self._y = self._y.ravel() | |
else: | |
self._y = y | |
else: | |
if not isinstance(X, (KDTree, BallTree, NeighborsBase)): | |
X = self._validate_data(X, accept_sparse="csr", order="C") | |
self._check_algorithm_metric() | |
if self.metric_params is None: | |
self.effective_metric_params_ = {} | |
else: | |
self.effective_metric_params_ = self.metric_params.copy() | |
effective_p = self.effective_metric_params_.get("p", self.p) | |
if self.metric == "minkowski": | |
self.effective_metric_params_["p"] = effective_p | |
self.effective_metric_ = self.metric | |
# For minkowski distance, use more efficient methods where available | |
if self.metric == "minkowski": | |
p = self.effective_metric_params_.pop("p", 2) | |
w = self.effective_metric_params_.pop("w", None) | |
if p == 1 and w is None: | |
self.effective_metric_ = "manhattan" | |
elif p == 2 and w is None: | |
self.effective_metric_ = "euclidean" | |
elif p == np.inf and w is None: | |
self.effective_metric_ = "chebyshev" | |
else: | |
# Use the generic minkowski metric, possibly weighted. | |
self.effective_metric_params_["p"] = p | |
self.effective_metric_params_["w"] = w | |
if isinstance(X, NeighborsBase): | |
self._fit_X = X._fit_X | |
self._tree = X._tree | |
self._fit_method = X._fit_method | |
self.n_samples_fit_ = X.n_samples_fit_ | |
return self | |
elif isinstance(X, BallTree): | |
self._fit_X = X.data | |
self._tree = X | |
self._fit_method = "ball_tree" | |
self.n_samples_fit_ = X.data.shape[0] | |
return self | |
elif isinstance(X, KDTree): | |
self._fit_X = X.data | |
self._tree = X | |
self._fit_method = "kd_tree" | |
self.n_samples_fit_ = X.data.shape[0] | |
return self | |
if self.metric == "precomputed": | |
X = _check_precomputed(X) | |
# Precomputed matrix X must be squared | |
if X.shape[0] != X.shape[1]: | |
raise ValueError( | |
"Precomputed matrix must be square." | |
" Input is a {}x{} matrix.".format(X.shape[0], X.shape[1]) | |
) | |
self.n_features_in_ = X.shape[1] | |
n_samples = X.shape[0] | |
if n_samples == 0: | |
raise ValueError("n_samples must be greater than 0") | |
if issparse(X): | |
if self.algorithm not in ("auto", "brute"): | |
warnings.warn("cannot use tree with sparse input: using brute force") | |
if ( | |
self.effective_metric_ not in VALID_METRICS_SPARSE["brute"] | |
and not callable(self.effective_metric_) | |
and not isinstance(self.effective_metric_, DistanceMetric) | |
): | |
raise ValueError( | |
"Metric '%s' not valid for sparse input. " | |
"Use sorted(sklearn.neighbors." | |
"VALID_METRICS_SPARSE['brute']) " | |
"to get valid options. " | |
"Metric can also be a callable function." % (self.effective_metric_) | |
) | |
self._fit_X = X.copy() | |
self._tree = None | |
self._fit_method = "brute" | |
self.n_samples_fit_ = X.shape[0] | |
return self | |
self._fit_method = self.algorithm | |
self._fit_X = X | |
self.n_samples_fit_ = X.shape[0] | |
if self._fit_method == "auto": | |
# A tree approach is better for small number of neighbors or small | |
# number of features, with KDTree generally faster when available | |
if ( | |
self.metric == "precomputed" | |
or self._fit_X.shape[1] > 15 | |
or ( | |
self.n_neighbors is not None | |
and self.n_neighbors >= self._fit_X.shape[0] // 2 | |
) | |
): | |
self._fit_method = "brute" | |
else: | |
if ( | |
self.effective_metric_ == "minkowski" | |
and self.effective_metric_params_["p"] < 1 | |
): | |
self._fit_method = "brute" | |
elif ( | |
self.effective_metric_ == "minkowski" | |
and self.effective_metric_params_.get("w") is not None | |
): | |
# 'minkowski' with weights is not supported by KDTree but is | |
# supported byBallTree. | |
self._fit_method = "ball_tree" | |
elif self.effective_metric_ in VALID_METRICS["kd_tree"]: | |
self._fit_method = "kd_tree" | |
elif ( | |
callable(self.effective_metric_) | |
or self.effective_metric_ in VALID_METRICS["ball_tree"] | |
): | |
self._fit_method = "ball_tree" | |
else: | |
self._fit_method = "brute" | |
if ( | |
self.effective_metric_ == "minkowski" | |
and self.effective_metric_params_["p"] < 1 | |
): | |
# For 0 < p < 1 Minkowski distances aren't valid distance | |
# metric as they do not satisfy triangular inequality: | |
# they are semi-metrics. | |
# algorithm="kd_tree" and algorithm="ball_tree" can't be used because | |
# KDTree and BallTree require a proper distance metric to work properly. | |
# However, the brute-force algorithm supports semi-metrics. | |
if self._fit_method == "brute": | |
warnings.warn( | |
"Mind that for 0 < p < 1, Minkowski metrics are not distance" | |
" metrics. Continuing the execution with `algorithm='brute'`." | |
) | |
else: # self._fit_method in ("kd_tree", "ball_tree") | |
raise ValueError( | |
f'algorithm="{self._fit_method}" does not support 0 < p < 1 for ' | |
"the Minkowski metric. To resolve this problem either " | |
'set p >= 1 or algorithm="brute".' | |
) | |
if self._fit_method == "ball_tree": | |
self._tree = BallTree( | |
X, | |
self.leaf_size, | |
metric=self.effective_metric_, | |
**self.effective_metric_params_, | |
) | |
elif self._fit_method == "kd_tree": | |
if ( | |
self.effective_metric_ == "minkowski" | |
and self.effective_metric_params_.get("w") is not None | |
): | |
raise ValueError( | |
"algorithm='kd_tree' is not valid for " | |
"metric='minkowski' with a weight parameter 'w': " | |
"try algorithm='ball_tree' " | |
"or algorithm='brute' instead." | |
) | |
self._tree = KDTree( | |
X, | |
self.leaf_size, | |
metric=self.effective_metric_, | |
**self.effective_metric_params_, | |
) | |
elif self._fit_method == "brute": | |
self._tree = None | |
return self | |
def _more_tags(self): | |
# For cross-validation routines to split data correctly | |
return {"pairwise": self.metric == "precomputed"} | |
def _tree_query_parallel_helper(tree, *args, **kwargs): | |
"""Helper for the Parallel calls in KNeighborsMixin.kneighbors. | |
The Cython method tree.query is not directly picklable by cloudpickle | |
under PyPy. | |
""" | |
return tree.query(*args, **kwargs) | |
class KNeighborsMixin: | |
"""Mixin for k-neighbors searches.""" | |
def _kneighbors_reduce_func(self, dist, start, n_neighbors, return_distance): | |
"""Reduce a chunk of distances to the nearest neighbors. | |
Callback to :func:`sklearn.metrics.pairwise.pairwise_distances_chunked` | |
Parameters | |
---------- | |
dist : ndarray of shape (n_samples_chunk, n_samples) | |
The distance matrix. | |
start : int | |
The index in X which the first row of dist corresponds to. | |
n_neighbors : int | |
Number of neighbors required for each sample. | |
return_distance : bool | |
Whether or not to return the distances. | |
Returns | |
------- | |
dist : array of shape (n_samples_chunk, n_neighbors) | |
Returned only if `return_distance=True`. | |
neigh : array of shape (n_samples_chunk, n_neighbors) | |
The neighbors indices. | |
""" | |
sample_range = np.arange(dist.shape[0])[:, None] | |
neigh_ind = np.argpartition(dist, n_neighbors - 1, axis=1) | |
neigh_ind = neigh_ind[:, :n_neighbors] | |
# argpartition doesn't guarantee sorted order, so we sort again | |
neigh_ind = neigh_ind[sample_range, np.argsort(dist[sample_range, neigh_ind])] | |
if return_distance: | |
if self.effective_metric_ == "euclidean": | |
result = np.sqrt(dist[sample_range, neigh_ind]), neigh_ind | |
else: | |
result = dist[sample_range, neigh_ind], neigh_ind | |
else: | |
result = neigh_ind | |
return result | |
def kneighbors(self, X=None, n_neighbors=None, return_distance=True): | |
"""Find the K-neighbors of a point. | |
Returns indices of and distances to the neighbors of each point. | |
Parameters | |
---------- | |
X : {array-like, sparse matrix}, shape (n_queries, n_features), \ | |
or (n_queries, n_indexed) if metric == 'precomputed', default=None | |
The query point or points. | |
If not provided, neighbors of each indexed point are returned. | |
In this case, the query point is not considered its own neighbor. | |
n_neighbors : int, default=None | |
Number of neighbors required for each sample. The default is the | |
value passed to the constructor. | |
return_distance : bool, default=True | |
Whether or not to return the distances. | |
Returns | |
------- | |
neigh_dist : ndarray of shape (n_queries, n_neighbors) | |
Array representing the lengths to points, only present if | |
return_distance=True. | |
neigh_ind : ndarray of shape (n_queries, n_neighbors) | |
Indices of the nearest points in the population matrix. | |
Examples | |
-------- | |
In the following example, we construct a NearestNeighbors | |
class from an array representing our data set and ask who's | |
the closest point to [1,1,1] | |
>>> samples = [[0., 0., 0.], [0., .5, 0.], [1., 1., .5]] | |
>>> from sklearn.neighbors import NearestNeighbors | |
>>> neigh = NearestNeighbors(n_neighbors=1) | |
>>> neigh.fit(samples) | |
NearestNeighbors(n_neighbors=1) | |
>>> print(neigh.kneighbors([[1., 1., 1.]])) | |
(array([[0.5]]), array([[2]])) | |
As you can see, it returns [[0.5]], and [[2]], which means that the | |
element is at distance 0.5 and is the third element of samples | |
(indexes start at 0). You can also query for multiple points: | |
>>> X = [[0., 1., 0.], [1., 0., 1.]] | |
>>> neigh.kneighbors(X, return_distance=False) | |
array([[1], | |
[2]]...) | |
""" | |
check_is_fitted(self) | |
if n_neighbors is None: | |
n_neighbors = self.n_neighbors | |
elif n_neighbors <= 0: | |
raise ValueError("Expected n_neighbors > 0. Got %d" % n_neighbors) | |
elif not isinstance(n_neighbors, numbers.Integral): | |
raise TypeError( | |
"n_neighbors does not take %s value, enter integer value" | |
% type(n_neighbors) | |
) | |
query_is_train = X is None | |
if query_is_train: | |
X = self._fit_X | |
# Include an extra neighbor to account for the sample itself being | |
# returned, which is removed later | |
n_neighbors += 1 | |
else: | |
if self.metric == "precomputed": | |
X = _check_precomputed(X) | |
else: | |
X = self._validate_data(X, accept_sparse="csr", reset=False, order="C") | |
n_samples_fit = self.n_samples_fit_ | |
if n_neighbors > n_samples_fit: | |
if query_is_train: | |
n_neighbors -= 1 # ok to modify inplace because an error is raised | |
inequality_str = "n_neighbors < n_samples_fit" | |
else: | |
inequality_str = "n_neighbors <= n_samples_fit" | |
raise ValueError( | |
f"Expected {inequality_str}, but " | |
f"n_neighbors = {n_neighbors}, n_samples_fit = {n_samples_fit}, " | |
f"n_samples = {X.shape[0]}" # include n_samples for common tests | |
) | |
n_jobs = effective_n_jobs(self.n_jobs) | |
chunked_results = None | |
use_pairwise_distances_reductions = ( | |
self._fit_method == "brute" | |
and ArgKmin.is_usable_for( | |
X if X is not None else self._fit_X, self._fit_X, self.effective_metric_ | |
) | |
) | |
if use_pairwise_distances_reductions: | |
results = ArgKmin.compute( | |
X=X, | |
Y=self._fit_X, | |
k=n_neighbors, | |
metric=self.effective_metric_, | |
metric_kwargs=self.effective_metric_params_, | |
strategy="auto", | |
return_distance=return_distance, | |
) | |
elif ( | |
self._fit_method == "brute" and self.metric == "precomputed" and issparse(X) | |
): | |
results = _kneighbors_from_graph( | |
X, n_neighbors=n_neighbors, return_distance=return_distance | |
) | |
elif self._fit_method == "brute": | |
# Joblib-based backend, which is used when user-defined callable | |
# are passed for metric. | |
# This won't be used in the future once PairwiseDistancesReductions | |
# support: | |
# - DistanceMetrics which work on supposedly binary data | |
# - CSR-dense and dense-CSR case if 'euclidean' in metric. | |
reduce_func = partial( | |
self._kneighbors_reduce_func, | |
n_neighbors=n_neighbors, | |
return_distance=return_distance, | |
) | |
# for efficiency, use squared euclidean distances | |
if self.effective_metric_ == "euclidean": | |
kwds = {"squared": True} | |
else: | |
kwds = self.effective_metric_params_ | |
chunked_results = list( | |
pairwise_distances_chunked( | |
X, | |
self._fit_X, | |
reduce_func=reduce_func, | |
metric=self.effective_metric_, | |
n_jobs=n_jobs, | |
**kwds, | |
) | |
) | |
elif self._fit_method in ["ball_tree", "kd_tree"]: | |
if issparse(X): | |
raise ValueError( | |
"%s does not work with sparse matrices. Densify the data, " | |
"or set algorithm='brute'" | |
% self._fit_method | |
) | |
chunked_results = Parallel(n_jobs, prefer="threads")( | |
delayed(_tree_query_parallel_helper)( | |
self._tree, X[s], n_neighbors, return_distance | |
) | |
for s in gen_even_slices(X.shape[0], n_jobs) | |
) | |
else: | |
raise ValueError("internal: _fit_method not recognized") | |
if chunked_results is not None: | |
if return_distance: | |
neigh_dist, neigh_ind = zip(*chunked_results) | |
results = np.vstack(neigh_dist), np.vstack(neigh_ind) | |
else: | |
results = np.vstack(chunked_results) | |
if not query_is_train: | |
return results | |
else: | |
# If the query data is the same as the indexed data, we would like | |
# to ignore the first nearest neighbor of every sample, i.e | |
# the sample itself. | |
if return_distance: | |
neigh_dist, neigh_ind = results | |
else: | |
neigh_ind = results | |
n_queries, _ = X.shape | |
sample_range = np.arange(n_queries)[:, None] | |
sample_mask = neigh_ind != sample_range | |
# Corner case: When the number of duplicates are more | |
# than the number of neighbors, the first NN will not | |
# be the sample, but a duplicate. | |
# In that case mask the first duplicate. | |
dup_gr_nbrs = np.all(sample_mask, axis=1) | |
sample_mask[:, 0][dup_gr_nbrs] = False | |
neigh_ind = np.reshape(neigh_ind[sample_mask], (n_queries, n_neighbors - 1)) | |
if return_distance: | |
neigh_dist = np.reshape( | |
neigh_dist[sample_mask], (n_queries, n_neighbors - 1) | |
) | |
return neigh_dist, neigh_ind | |
return neigh_ind | |
def kneighbors_graph(self, X=None, n_neighbors=None, mode="connectivity"): | |
"""Compute the (weighted) graph of k-Neighbors for points in X. | |
Parameters | |
---------- | |
X : {array-like, sparse matrix} of shape (n_queries, n_features), \ | |
or (n_queries, n_indexed) if metric == 'precomputed', default=None | |
The query point or points. | |
If not provided, neighbors of each indexed point are returned. | |
In this case, the query point is not considered its own neighbor. | |
For ``metric='precomputed'`` the shape should be | |
(n_queries, n_indexed). Otherwise the shape should be | |
(n_queries, n_features). | |
n_neighbors : int, default=None | |
Number of neighbors for each sample. The default is the value | |
passed to the constructor. | |
mode : {'connectivity', 'distance'}, default='connectivity' | |
Type of returned matrix: 'connectivity' will return the | |
connectivity matrix with ones and zeros, in 'distance' the | |
edges are distances between points, type of distance | |
depends on the selected metric parameter in | |
NearestNeighbors class. | |
Returns | |
------- | |
A : sparse-matrix of shape (n_queries, n_samples_fit) | |
`n_samples_fit` is the number of samples in the fitted data. | |
`A[i, j]` gives the weight of the edge connecting `i` to `j`. | |
The matrix is of CSR format. | |
See Also | |
-------- | |
NearestNeighbors.radius_neighbors_graph : Compute the (weighted) graph | |
of Neighbors for points in X. | |
Examples | |
-------- | |
>>> X = [[0], [3], [1]] | |
>>> from sklearn.neighbors import NearestNeighbors | |
>>> neigh = NearestNeighbors(n_neighbors=2) | |
>>> neigh.fit(X) | |
NearestNeighbors(n_neighbors=2) | |
>>> A = neigh.kneighbors_graph(X) | |
>>> A.toarray() | |
array([[1., 0., 1.], | |
[0., 1., 1.], | |
[1., 0., 1.]]) | |
""" | |
check_is_fitted(self) | |
if n_neighbors is None: | |
n_neighbors = self.n_neighbors | |
# check the input only in self.kneighbors | |
# construct CSR matrix representation of the k-NN graph | |
if mode == "connectivity": | |
A_ind = self.kneighbors(X, n_neighbors, return_distance=False) | |
n_queries = A_ind.shape[0] | |
A_data = np.ones(n_queries * n_neighbors) | |
elif mode == "distance": | |
A_data, A_ind = self.kneighbors(X, n_neighbors, return_distance=True) | |
A_data = np.ravel(A_data) | |
else: | |
raise ValueError( | |
'Unsupported mode, must be one of "connectivity", ' | |
f'or "distance" but got "{mode}" instead' | |
) | |
n_queries = A_ind.shape[0] | |
n_samples_fit = self.n_samples_fit_ | |
n_nonzero = n_queries * n_neighbors | |
A_indptr = np.arange(0, n_nonzero + 1, n_neighbors) | |
kneighbors_graph = csr_matrix( | |
(A_data, A_ind.ravel(), A_indptr), shape=(n_queries, n_samples_fit) | |
) | |
return kneighbors_graph | |
def _tree_query_radius_parallel_helper(tree, *args, **kwargs): | |
"""Helper for the Parallel calls in RadiusNeighborsMixin.radius_neighbors. | |
The Cython method tree.query_radius is not directly picklable by | |
cloudpickle under PyPy. | |
""" | |
return tree.query_radius(*args, **kwargs) | |
class RadiusNeighborsMixin: | |
"""Mixin for radius-based neighbors searches.""" | |
def _radius_neighbors_reduce_func(self, dist, start, radius, return_distance): | |
"""Reduce a chunk of distances to the nearest neighbors. | |
Callback to :func:`sklearn.metrics.pairwise.pairwise_distances_chunked` | |
Parameters | |
---------- | |
dist : ndarray of shape (n_samples_chunk, n_samples) | |
The distance matrix. | |
start : int | |
The index in X which the first row of dist corresponds to. | |
radius : float | |
The radius considered when making the nearest neighbors search. | |
return_distance : bool | |
Whether or not to return the distances. | |
Returns | |
------- | |
dist : list of ndarray of shape (n_samples_chunk,) | |
Returned only if `return_distance=True`. | |
neigh : list of ndarray of shape (n_samples_chunk,) | |
The neighbors indices. | |
""" | |
neigh_ind = [np.where(d <= radius)[0] for d in dist] | |
if return_distance: | |
if self.effective_metric_ == "euclidean": | |
dist = [np.sqrt(d[neigh_ind[i]]) for i, d in enumerate(dist)] | |
else: | |
dist = [d[neigh_ind[i]] for i, d in enumerate(dist)] | |
results = dist, neigh_ind | |
else: | |
results = neigh_ind | |
return results | |
def radius_neighbors( | |
self, X=None, radius=None, return_distance=True, sort_results=False | |
): | |
"""Find the neighbors within a given radius of a point or points. | |
Return the indices and distances of each point from the dataset | |
lying in a ball with size ``radius`` around the points of the query | |
array. Points lying on the boundary are included in the results. | |
The result points are *not* necessarily sorted by distance to their | |
query point. | |
Parameters | |
---------- | |
X : {array-like, sparse matrix} of (n_samples, n_features), default=None | |
The query point or points. | |
If not provided, neighbors of each indexed point are returned. | |
In this case, the query point is not considered its own neighbor. | |
radius : float, default=None | |
Limiting distance of neighbors to return. The default is the value | |
passed to the constructor. | |
return_distance : bool, default=True | |
Whether or not to return the distances. | |
sort_results : bool, default=False | |
If True, the distances and indices will be sorted by increasing | |
distances before being returned. If False, the results may not | |
be sorted. If `return_distance=False`, setting `sort_results=True` | |
will result in an error. | |
.. versionadded:: 0.22 | |
Returns | |
------- | |
neigh_dist : ndarray of shape (n_samples,) of arrays | |
Array representing the distances to each point, only present if | |
`return_distance=True`. The distance values are computed according | |
to the ``metric`` constructor parameter. | |
neigh_ind : ndarray of shape (n_samples,) of arrays | |
An array of arrays of indices of the approximate nearest points | |
from the population matrix that lie within a ball of size | |
``radius`` around the query points. | |
Notes | |
----- | |
Because the number of neighbors of each point is not necessarily | |
equal, the results for multiple query points cannot be fit in a | |
standard data array. | |
For efficiency, `radius_neighbors` returns arrays of objects, where | |
each object is a 1D array of indices or distances. | |
Examples | |
-------- | |
In the following example, we construct a NeighborsClassifier | |
class from an array representing our data set and ask who's | |
the closest point to [1, 1, 1]: | |
>>> import numpy as np | |
>>> samples = [[0., 0., 0.], [0., .5, 0.], [1., 1., .5]] | |
>>> from sklearn.neighbors import NearestNeighbors | |
>>> neigh = NearestNeighbors(radius=1.6) | |
>>> neigh.fit(samples) | |
NearestNeighbors(radius=1.6) | |
>>> rng = neigh.radius_neighbors([[1., 1., 1.]]) | |
>>> print(np.asarray(rng[0][0])) | |
[1.5 0.5] | |
>>> print(np.asarray(rng[1][0])) | |
[1 2] | |
The first array returned contains the distances to all points which | |
are closer than 1.6, while the second array returned contains their | |
indices. In general, multiple points can be queried at the same time. | |
""" | |
check_is_fitted(self) | |
if sort_results and not return_distance: | |
raise ValueError("return_distance must be True if sort_results is True.") | |
query_is_train = X is None | |
if query_is_train: | |
X = self._fit_X | |
else: | |
if self.metric == "precomputed": | |
X = _check_precomputed(X) | |
else: | |
X = self._validate_data(X, accept_sparse="csr", reset=False, order="C") | |
if radius is None: | |
radius = self.radius | |
use_pairwise_distances_reductions = ( | |
self._fit_method == "brute" | |
and RadiusNeighbors.is_usable_for( | |
X if X is not None else self._fit_X, self._fit_X, self.effective_metric_ | |
) | |
) | |
if use_pairwise_distances_reductions: | |
results = RadiusNeighbors.compute( | |
X=X, | |
Y=self._fit_X, | |
radius=radius, | |
metric=self.effective_metric_, | |
metric_kwargs=self.effective_metric_params_, | |
strategy="auto", | |
return_distance=return_distance, | |
sort_results=sort_results, | |
) | |
elif ( | |
self._fit_method == "brute" and self.metric == "precomputed" and issparse(X) | |
): | |
results = _radius_neighbors_from_graph( | |
X, radius=radius, return_distance=return_distance | |
) | |
elif self._fit_method == "brute": | |
# Joblib-based backend, which is used when user-defined callable | |
# are passed for metric. | |
# This won't be used in the future once PairwiseDistancesReductions | |
# support: | |
# - DistanceMetrics which work on supposedly binary data | |
# - CSR-dense and dense-CSR case if 'euclidean' in metric. | |
# for efficiency, use squared euclidean distances | |
if self.effective_metric_ == "euclidean": | |
radius *= radius | |
kwds = {"squared": True} | |
else: | |
kwds = self.effective_metric_params_ | |
reduce_func = partial( | |
self._radius_neighbors_reduce_func, | |
radius=radius, | |
return_distance=return_distance, | |
) | |
chunked_results = pairwise_distances_chunked( | |
X, | |
self._fit_X, | |
reduce_func=reduce_func, | |
metric=self.effective_metric_, | |
n_jobs=self.n_jobs, | |
**kwds, | |
) | |
if return_distance: | |
neigh_dist_chunks, neigh_ind_chunks = zip(*chunked_results) | |
neigh_dist_list = sum(neigh_dist_chunks, []) | |
neigh_ind_list = sum(neigh_ind_chunks, []) | |
neigh_dist = _to_object_array(neigh_dist_list) | |
neigh_ind = _to_object_array(neigh_ind_list) | |
results = neigh_dist, neigh_ind | |
else: | |
neigh_ind_list = sum(chunked_results, []) | |
results = _to_object_array(neigh_ind_list) | |
if sort_results: | |
for ii in range(len(neigh_dist)): | |
order = np.argsort(neigh_dist[ii], kind="mergesort") | |
neigh_ind[ii] = neigh_ind[ii][order] | |
neigh_dist[ii] = neigh_dist[ii][order] | |
results = neigh_dist, neigh_ind | |
elif self._fit_method in ["ball_tree", "kd_tree"]: | |
if issparse(X): | |
raise ValueError( | |
"%s does not work with sparse matrices. Densify the data, " | |
"or set algorithm='brute'" | |
% self._fit_method | |
) | |
n_jobs = effective_n_jobs(self.n_jobs) | |
delayed_query = delayed(_tree_query_radius_parallel_helper) | |
chunked_results = Parallel(n_jobs, prefer="threads")( | |
delayed_query( | |
self._tree, X[s], radius, return_distance, sort_results=sort_results | |
) | |
for s in gen_even_slices(X.shape[0], n_jobs) | |
) | |
if return_distance: | |
neigh_ind, neigh_dist = tuple(zip(*chunked_results)) | |
results = np.hstack(neigh_dist), np.hstack(neigh_ind) | |
else: | |
results = np.hstack(chunked_results) | |
else: | |
raise ValueError("internal: _fit_method not recognized") | |
if not query_is_train: | |
return results | |
else: | |
# If the query data is the same as the indexed data, we would like | |
# to ignore the first nearest neighbor of every sample, i.e | |
# the sample itself. | |
if return_distance: | |
neigh_dist, neigh_ind = results | |
else: | |
neigh_ind = results | |
for ind, ind_neighbor in enumerate(neigh_ind): | |
mask = ind_neighbor != ind | |
neigh_ind[ind] = ind_neighbor[mask] | |
if return_distance: | |
neigh_dist[ind] = neigh_dist[ind][mask] | |
if return_distance: | |
return neigh_dist, neigh_ind | |
return neigh_ind | |
def radius_neighbors_graph( | |
self, X=None, radius=None, mode="connectivity", sort_results=False | |
): | |
"""Compute the (weighted) graph of Neighbors for points in X. | |
Neighborhoods are restricted the points at a distance lower than | |
radius. | |
Parameters | |
---------- | |
X : {array-like, sparse matrix} of shape (n_samples, n_features), default=None | |
The query point or points. | |
If not provided, neighbors of each indexed point are returned. | |
In this case, the query point is not considered its own neighbor. | |
radius : float, default=None | |
Radius of neighborhoods. The default is the value passed to the | |
constructor. | |
mode : {'connectivity', 'distance'}, default='connectivity' | |
Type of returned matrix: 'connectivity' will return the | |
connectivity matrix with ones and zeros, in 'distance' the | |
edges are distances between points, type of distance | |
depends on the selected metric parameter in | |
NearestNeighbors class. | |
sort_results : bool, default=False | |
If True, in each row of the result, the non-zero entries will be | |
sorted by increasing distances. If False, the non-zero entries may | |
not be sorted. Only used with mode='distance'. | |
.. versionadded:: 0.22 | |
Returns | |
------- | |
A : sparse-matrix of shape (n_queries, n_samples_fit) | |
`n_samples_fit` is the number of samples in the fitted data. | |
`A[i, j]` gives the weight of the edge connecting `i` to `j`. | |
The matrix is of CSR format. | |
See Also | |
-------- | |
kneighbors_graph : Compute the (weighted) graph of k-Neighbors for | |
points in X. | |
Examples | |
-------- | |
>>> X = [[0], [3], [1]] | |
>>> from sklearn.neighbors import NearestNeighbors | |
>>> neigh = NearestNeighbors(radius=1.5) | |
>>> neigh.fit(X) | |
NearestNeighbors(radius=1.5) | |
>>> A = neigh.radius_neighbors_graph(X) | |
>>> A.toarray() | |
array([[1., 0., 1.], | |
[0., 1., 0.], | |
[1., 0., 1.]]) | |
""" | |
check_is_fitted(self) | |
# check the input only in self.radius_neighbors | |
if radius is None: | |
radius = self.radius | |
# construct CSR matrix representation of the NN graph | |
if mode == "connectivity": | |
A_ind = self.radius_neighbors(X, radius, return_distance=False) | |
A_data = None | |
elif mode == "distance": | |
dist, A_ind = self.radius_neighbors( | |
X, radius, return_distance=True, sort_results=sort_results | |
) | |
A_data = np.concatenate(list(dist)) | |
else: | |
raise ValueError( | |
'Unsupported mode, must be one of "connectivity", ' | |
f'or "distance" but got "{mode}" instead' | |
) | |
n_queries = A_ind.shape[0] | |
n_samples_fit = self.n_samples_fit_ | |
n_neighbors = np.array([len(a) for a in A_ind]) | |
A_ind = np.concatenate(list(A_ind)) | |
if A_data is None: | |
A_data = np.ones(len(A_ind)) | |
A_indptr = np.concatenate((np.zeros(1, dtype=int), np.cumsum(n_neighbors))) | |
return csr_matrix((A_data, A_ind, A_indptr), shape=(n_queries, n_samples_fit)) | |