427 lines
15 KiB
Python
427 lines
15 KiB
Python
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"""Nearest Neighbor Regression"""
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# Authors: Jake Vanderplas <vanderplas@astro.washington.edu>
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# Fabian Pedregosa <fabian.pedregosa@inria.fr>
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# Alexandre Gramfort <alexandre.gramfort@inria.fr>
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# Sparseness support by Lars Buitinck
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# Multi-output support by Arnaud Joly <a.joly@ulg.ac.be>
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# Empty radius support by Andreas Bjerre-Nielsen
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#
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# License: BSD 3 clause (C) INRIA, University of Amsterdam,
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# University of Copenhagen
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import warnings
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import numpy as np
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from ._base import _get_weights, _check_weights
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from ._base import NeighborsBase, KNeighborsMixin, RadiusNeighborsMixin
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from ..base import RegressorMixin
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from ..utils import check_array
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from ..utils.validation import _deprecate_positional_args
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from ..utils.deprecation import deprecated
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class KNeighborsRegressor(KNeighborsMixin,
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RegressorMixin,
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NeighborsBase):
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"""Regression based on k-nearest neighbors.
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The target is predicted by local interpolation of the targets
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associated of the nearest neighbors in the training set.
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Read more in the :ref:`User Guide <regression>`.
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.. versionadded:: 0.9
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Parameters
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----------
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n_neighbors : int, default=5
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Number of neighbors to use by default for :meth:`kneighbors` queries.
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weights : {'uniform', 'distance'} or callable, default='uniform'
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weight function used in prediction. Possible values:
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- 'uniform' : uniform weights. All points in each neighborhood
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are weighted equally.
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- 'distance' : weight points by the inverse of their distance.
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in this case, closer neighbors of a query point will have a
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greater influence than neighbors which are further away.
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- [callable] : a user-defined function which accepts an
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array of distances, and returns an array of the same shape
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containing the weights.
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Uniform weights are used by default.
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algorithm : {'auto', 'ball_tree', 'kd_tree', 'brute'}, default='auto'
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Algorithm used to compute the nearest neighbors:
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- 'ball_tree' will use :class:`BallTree`
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- 'kd_tree' will use :class:`KDTree`
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- 'brute' will use a brute-force search.
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- 'auto' will attempt to decide the most appropriate algorithm
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based on the values passed to :meth:`fit` method.
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Note: fitting on sparse input will override the setting of
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this parameter, using brute force.
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leaf_size : int, default=30
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Leaf size passed to BallTree or KDTree. This can affect the
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speed of the construction and query, as well as the memory
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required to store the tree. The optimal value depends on the
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nature of the problem.
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p : int, default=2
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Power parameter for the Minkowski metric. When p = 1, this is
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equivalent to using manhattan_distance (l1), and euclidean_distance
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(l2) for p = 2. For arbitrary p, minkowski_distance (l_p) is used.
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metric : str or callable, default='minkowski'
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the distance metric to use for the tree. The default metric is
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minkowski, and with p=2 is equivalent to the standard Euclidean
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metric. See the documentation of :class:`DistanceMetric` for a
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list of available metrics.
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If metric is "precomputed", X is assumed to be a distance matrix and
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must be square during fit. X may be a :term:`sparse graph`,
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in which case only "nonzero" elements may be considered neighbors.
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metric_params : dict, default=None
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Additional keyword arguments for the metric function.
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n_jobs : int, default=None
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The number of parallel jobs to run for neighbors search.
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``None`` means 1 unless in a :obj:`joblib.parallel_backend` context.
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``-1`` means using all processors. See :term:`Glossary <n_jobs>`
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for more details.
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Doesn't affect :meth:`fit` method.
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Attributes
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----------
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effective_metric_ : str or callable
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The distance metric to use. It will be same as the `metric` parameter
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or a synonym of it, e.g. 'euclidean' if the `metric` parameter set to
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'minkowski' and `p` parameter set to 2.
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effective_metric_params_ : dict
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Additional keyword arguments for the metric function. For most metrics
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will be same with `metric_params` parameter, but may also contain the
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`p` parameter value if the `effective_metric_` attribute is set to
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'minkowski'.
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n_samples_fit_ : int
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Number of samples in the fitted data.
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Examples
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--------
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>>> X = [[0], [1], [2], [3]]
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>>> y = [0, 0, 1, 1]
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>>> from sklearn.neighbors import KNeighborsRegressor
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>>> neigh = KNeighborsRegressor(n_neighbors=2)
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>>> neigh.fit(X, y)
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KNeighborsRegressor(...)
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>>> print(neigh.predict([[1.5]]))
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[0.5]
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See Also
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--------
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NearestNeighbors
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RadiusNeighborsRegressor
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KNeighborsClassifier
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RadiusNeighborsClassifier
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Notes
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-----
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See :ref:`Nearest Neighbors <neighbors>` in the online documentation
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for a discussion of the choice of ``algorithm`` and ``leaf_size``.
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.. warning::
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Regarding the Nearest Neighbors algorithms, if it is found that two
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neighbors, neighbor `k+1` and `k`, have identical distances but
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different labels, the results will depend on the ordering of the
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training data.
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https://en.wikipedia.org/wiki/K-nearest_neighbor_algorithm
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"""
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@_deprecate_positional_args
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def __init__(self, n_neighbors=5, *, weights='uniform',
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algorithm='auto', leaf_size=30,
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p=2, metric='minkowski', metric_params=None, n_jobs=None,
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**kwargs):
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super().__init__(
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n_neighbors=n_neighbors,
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algorithm=algorithm,
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leaf_size=leaf_size, metric=metric, p=p,
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metric_params=metric_params, n_jobs=n_jobs, **kwargs)
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self.weights = _check_weights(weights)
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def _more_tags(self):
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# For cross-validation routines to split data correctly
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return {'pairwise': self.metric == 'precomputed'}
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# TODO: Remove in 1.1
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# mypy error: Decorated property not supported
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@deprecated("Attribute _pairwise was deprecated in " # type: ignore
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"version 0.24 and will be removed in 1.1 (renaming of 0.26).")
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@property
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def _pairwise(self):
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# For cross-validation routines to split data correctly
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return self.metric == 'precomputed'
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def fit(self, X, y):
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"""Fit the k-nearest neighbors regressor from the training dataset.
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Parameters
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----------
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X : {array-like, sparse matrix} of shape (n_samples, n_features) or \
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(n_samples, n_samples) if metric='precomputed'
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Training data.
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y : {array-like, sparse matrix} of shape (n_samples,) or \
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(n_samples, n_outputs)
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Target values.
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Returns
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-------
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self : KNeighborsRegressor
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The fitted k-nearest neighbors regressor.
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"""
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return self._fit(X, y)
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def predict(self, X):
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"""Predict the target for the provided data
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Parameters
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----------
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X : array-like of shape (n_queries, n_features), \
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or (n_queries, n_indexed) if metric == 'precomputed'
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Test samples.
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Returns
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-------
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y : ndarray of shape (n_queries,) or (n_queries, n_outputs), dtype=int
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Target values.
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"""
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X = check_array(X, accept_sparse='csr')
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neigh_dist, neigh_ind = self.kneighbors(X)
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weights = _get_weights(neigh_dist, self.weights)
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_y = self._y
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if _y.ndim == 1:
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_y = _y.reshape((-1, 1))
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if weights is None:
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y_pred = np.mean(_y[neigh_ind], axis=1)
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else:
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y_pred = np.empty((X.shape[0], _y.shape[1]), dtype=np.float64)
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denom = np.sum(weights, axis=1)
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for j in range(_y.shape[1]):
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num = np.sum(_y[neigh_ind, j] * weights, axis=1)
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y_pred[:, j] = num / denom
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if self._y.ndim == 1:
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y_pred = y_pred.ravel()
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return y_pred
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class RadiusNeighborsRegressor(RadiusNeighborsMixin,
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RegressorMixin,
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NeighborsBase):
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"""Regression based on neighbors within a fixed radius.
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The target is predicted by local interpolation of the targets
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associated of the nearest neighbors in the training set.
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Read more in the :ref:`User Guide <regression>`.
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.. versionadded:: 0.9
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Parameters
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----------
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radius : float, default=1.0
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Range of parameter space to use by default for :meth:`radius_neighbors`
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queries.
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weights : {'uniform', 'distance'} or callable, default='uniform'
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weight function used in prediction. Possible values:
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- 'uniform' : uniform weights. All points in each neighborhood
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are weighted equally.
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- 'distance' : weight points by the inverse of their distance.
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in this case, closer neighbors of a query point will have a
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greater influence than neighbors which are further away.
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- [callable] : a user-defined function which accepts an
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array of distances, and returns an array of the same shape
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containing the weights.
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Uniform weights are used by default.
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algorithm : {'auto', 'ball_tree', 'kd_tree', 'brute'}, default='auto'
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Algorithm used to compute the nearest neighbors:
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- 'ball_tree' will use :class:`BallTree`
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- 'kd_tree' will use :class:`KDTree`
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- 'brute' will use a brute-force search.
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- 'auto' will attempt to decide the most appropriate algorithm
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based on the values passed to :meth:`fit` method.
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Note: fitting on sparse input will override the setting of
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this parameter, using brute force.
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leaf_size : int, default=30
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Leaf size passed to BallTree or KDTree. This can affect the
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speed of the construction and query, as well as the memory
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required to store the tree. The optimal value depends on the
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nature of the problem.
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p : int, default=2
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Power parameter for the Minkowski metric. When p = 1, this is
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equivalent to using manhattan_distance (l1), and euclidean_distance
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(l2) for p = 2. For arbitrary p, minkowski_distance (l_p) is used.
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metric : str or callable, default='minkowski'
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the distance metric to use for the tree. The default metric is
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minkowski, and with p=2 is equivalent to the standard Euclidean
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metric. See the documentation of :class:`DistanceMetric` for a
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list of available metrics.
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If metric is "precomputed", X is assumed to be a distance matrix and
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must be square during fit. X may be a :term:`sparse graph`,
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in which case only "nonzero" elements may be considered neighbors.
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metric_params : dict, default=None
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Additional keyword arguments for the metric function.
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n_jobs : int, default=None
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The number of parallel jobs to run for neighbors search.
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``None`` means 1 unless in a :obj:`joblib.parallel_backend` context.
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``-1`` means using all processors. See :term:`Glossary <n_jobs>`
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for more details.
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Attributes
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----------
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effective_metric_ : str or callable
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The distance metric to use. It will be same as the `metric` parameter
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or a synonym of it, e.g. 'euclidean' if the `metric` parameter set to
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'minkowski' and `p` parameter set to 2.
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effective_metric_params_ : dict
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Additional keyword arguments for the metric function. For most metrics
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will be same with `metric_params` parameter, but may also contain the
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`p` parameter value if the `effective_metric_` attribute is set to
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'minkowski'.
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n_samples_fit_ : int
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Number of samples in the fitted data.
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Examples
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--------
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>>> X = [[0], [1], [2], [3]]
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>>> y = [0, 0, 1, 1]
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>>> from sklearn.neighbors import RadiusNeighborsRegressor
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>>> neigh = RadiusNeighborsRegressor(radius=1.0)
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>>> neigh.fit(X, y)
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RadiusNeighborsRegressor(...)
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>>> print(neigh.predict([[1.5]]))
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[0.5]
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See Also
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--------
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NearestNeighbors
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KNeighborsRegressor
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KNeighborsClassifier
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RadiusNeighborsClassifier
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Notes
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-----
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See :ref:`Nearest Neighbors <neighbors>` in the online documentation
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for a discussion of the choice of ``algorithm`` and ``leaf_size``.
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https://en.wikipedia.org/wiki/K-nearest_neighbor_algorithm
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"""
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@_deprecate_positional_args
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def __init__(self, radius=1.0, *, weights='uniform',
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algorithm='auto', leaf_size=30,
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p=2, metric='minkowski', metric_params=None, n_jobs=None,
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**kwargs):
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super().__init__(
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radius=radius,
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algorithm=algorithm,
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leaf_size=leaf_size,
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p=p, metric=metric, metric_params=metric_params,
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n_jobs=n_jobs, **kwargs)
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self.weights = _check_weights(weights)
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def fit(self, X, y):
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"""Fit the radius neighbors regressor from the training dataset.
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Parameters
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----------
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X : {array-like, sparse matrix} of shape (n_samples, n_features) or \
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(n_samples, n_samples) if metric='precomputed'
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Training data.
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y : {array-like, sparse matrix} of shape (n_samples,) or \
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(n_samples, n_outputs)
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Target values.
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Returns
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||
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|
-------
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|
self : RadiusNeighborsRegressor
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|
|
The fitted radius neighbors regressor.
|
||
|
|
"""
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|
return self._fit(X, y)
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||
|
|
|
||
|
|
def predict(self, X):
|
||
|
|
"""Predict the target for the provided data
|
||
|
|
|
||
|
|
Parameters
|
||
|
|
----------
|
||
|
|
X : array-like of shape (n_queries, n_features), \
|
||
|
|
or (n_queries, n_indexed) if metric == 'precomputed'
|
||
|
|
Test samples.
|
||
|
|
|
||
|
|
Returns
|
||
|
|
-------
|
||
|
|
y : ndarray of shape (n_queries,) or (n_queries, n_outputs), \
|
||
|
|
dtype=double
|
||
|
|
Target values.
|
||
|
|
"""
|
||
|
|
X = check_array(X, accept_sparse='csr')
|
||
|
|
|
||
|
|
neigh_dist, neigh_ind = self.radius_neighbors(X)
|
||
|
|
|
||
|
|
weights = _get_weights(neigh_dist, self.weights)
|
||
|
|
|
||
|
|
_y = self._y
|
||
|
|
if _y.ndim == 1:
|
||
|
|
_y = _y.reshape((-1, 1))
|
||
|
|
|
||
|
|
empty_obs = np.full_like(_y[0], np.nan)
|
||
|
|
|
||
|
|
if weights is None:
|
||
|
|
y_pred = np.array([np.mean(_y[ind, :], axis=0)
|
||
|
|
if len(ind) else empty_obs
|
||
|
|
for (i, ind) in enumerate(neigh_ind)])
|
||
|
|
|
||
|
|
else:
|
||
|
|
y_pred = np.array([np.average(_y[ind, :], axis=0,
|
||
|
|
weights=weights[i])
|
||
|
|
if len(ind) else empty_obs
|
||
|
|
for (i, ind) in enumerate(neigh_ind)])
|
||
|
|
|
||
|
|
if np.any(np.isnan(y_pred)):
|
||
|
|
empty_warning_msg = ("One or more samples have no neighbors "
|
||
|
|
"within specified radius; predicting NaN.")
|
||
|
|
warnings.warn(empty_warning_msg)
|
||
|
|
|
||
|
|
if self._y.ndim == 1:
|
||
|
|
y_pred = y_pred.ravel()
|
||
|
|
|
||
|
|
return y_pred
|