# -*- coding: utf-8 -*- """ DBSCAN: Density-Based Spatial Clustering of Applications with Noise """ # Author: Robert Layton # Joel Nothman # Lars Buitinck # # License: BSD 3 clause import numpy as np from scipy import sparse from ..base import BaseEstimator, ClusterMixin from ..utils import check_array, check_consistent_length from ..neighbors import NearestNeighbors from ._dbscan_inner import dbscan_inner def dbscan(X, eps=0.5, min_samples=5, metric='minkowski', metric_params=None, algorithm='auto', leaf_size=30, p=2, sample_weight=None, n_jobs=1): """Perform DBSCAN clustering from vector array or distance matrix. Read more in the :ref:`User Guide `. Parameters ---------- X : array or sparse (CSR) matrix of shape (n_samples, n_features), or \ array of shape (n_samples, n_samples) A feature array, or array of distances between samples if ``metric='precomputed'``. eps : float, optional The maximum distance between two samples for them to be considered as in the same neighborhood. min_samples : int, optional The number of samples (or total weight) in a neighborhood for a point to be considered as a core point. This includes the point itself. metric : string, or callable The metric to use when calculating distance between instances in a feature array. If metric is a string or callable, it must be one of the options allowed by metrics.pairwise.pairwise_distances for its metric parameter. If metric is "precomputed", X is assumed to be a distance matrix and must be square. X may be a sparse matrix, in which case only "nonzero" elements may be considered neighbors for DBSCAN. metric_params : dict, optional Additional keyword arguments for the metric function. .. versionadded:: 0.19 algorithm : {'auto', 'ball_tree', 'kd_tree', 'brute'}, optional The algorithm to be used by the NearestNeighbors module to compute pointwise distances and find nearest neighbors. See NearestNeighbors module documentation for details. leaf_size : int, optional (default = 30) Leaf size passed to BallTree or cKDTree. This can affect the speed of the construction and query, as well as the memory required to store the tree. The optimal value depends on the nature of the problem. p : float, optional The power of the Minkowski metric to be used to calculate distance between points. sample_weight : array, shape (n_samples,), optional Weight of each sample, such that a sample with a weight of at least ``min_samples`` is by itself a core sample; a sample with negative weight may inhibit its eps-neighbor from being core. Note that weights are absolute, and default to 1. n_jobs : int, optional (default = 1) The number of parallel jobs to run for neighbors search. If ``-1``, then the number of jobs is set to the number of CPU cores. Returns ------- core_samples : array [n_core_samples] Indices of core samples. labels : array [n_samples] Cluster labels for each point. Noisy samples are given the label -1. Notes ----- For an example, see :ref:`examples/cluster/plot_dbscan.py `. This implementation bulk-computes all neighborhood queries, which increases the memory complexity to O(n.d) where d is the average number of neighbors, while original DBSCAN had memory complexity O(n). Sparse neighborhoods can be precomputed using :func:`NearestNeighbors.radius_neighbors_graph ` with ``mode='distance'``. References ---------- Ester, M., H. P. Kriegel, J. Sander, and X. Xu, "A Density-Based Algorithm for Discovering Clusters in Large Spatial Databases with Noise". In: Proceedings of the 2nd International Conference on Knowledge Discovery and Data Mining, Portland, OR, AAAI Press, pp. 226-231. 1996 """ if not eps > 0.0: raise ValueError("eps must be positive.") X = check_array(X, accept_sparse='csr') if sample_weight is not None: sample_weight = np.asarray(sample_weight) check_consistent_length(X, sample_weight) # Calculate neighborhood for all samples. This leaves the original point # in, which needs to be considered later (i.e. point i is in the # neighborhood of point i. While True, its useless information) if metric == 'precomputed' and sparse.issparse(X): neighborhoods = np.empty(X.shape[0], dtype=object) X.sum_duplicates() # XXX: modifies X's internals in-place X_mask = X.data <= eps masked_indices = X.indices.astype(np.intp, copy=False)[X_mask] masked_indptr = np.concatenate(([0], np.cumsum(X_mask)))[X.indptr[1:]] # insert the diagonal: a point is its own neighbor, but 0 distance # means absence from sparse matrix data masked_indices = np.insert(masked_indices, masked_indptr, np.arange(X.shape[0])) masked_indptr = masked_indptr[:-1] + np.arange(1, X.shape[0]) # split into rows neighborhoods[:] = np.split(masked_indices, masked_indptr) else: neighbors_model = NearestNeighbors(radius=eps, algorithm=algorithm, leaf_size=leaf_size, metric=metric, metric_params=metric_params, p=p, n_jobs=n_jobs) neighbors_model.fit(X) # This has worst case O(n^2) memory complexity neighborhoods = neighbors_model.radius_neighbors(X, eps, return_distance=False) if sample_weight is None: n_neighbors = np.array([len(neighbors) for neighbors in neighborhoods]) else: n_neighbors = np.array([np.sum(sample_weight[neighbors]) for neighbors in neighborhoods]) # Initially, all samples are noise. labels = -np.ones(X.shape[0], dtype=np.intp) # A list of all core samples found. core_samples = np.asarray(n_neighbors >= min_samples, dtype=np.uint8) dbscan_inner(core_samples, neighborhoods, labels) return np.where(core_samples)[0], labels class DBSCAN(BaseEstimator, ClusterMixin): """Perform DBSCAN clustering from vector array or distance matrix. DBSCAN - Density-Based Spatial Clustering of Applications with Noise. Finds core samples of high density and expands clusters from them. Good for data which contains clusters of similar density. Read more in the :ref:`User Guide `. Parameters ---------- eps : float, optional The maximum distance between two samples for them to be considered as in the same neighborhood. min_samples : int, optional The number of samples (or total weight) in a neighborhood for a point to be considered as a core point. This includes the point itself. metric : string, or callable The metric to use when calculating distance between instances in a feature array. If metric is a string or callable, it must be one of the options allowed by metrics.pairwise.calculate_distance for its metric parameter. If metric is "precomputed", X is assumed to be a distance matrix and must be square. X may be a sparse matrix, in which case only "nonzero" elements may be considered neighbors for DBSCAN. .. versionadded:: 0.17 metric *precomputed* to accept precomputed sparse matrix. metric_params : dict, optional Additional keyword arguments for the metric function. .. versionadded:: 0.19 algorithm : {'auto', 'ball_tree', 'kd_tree', 'brute'}, optional The algorithm to be used by the NearestNeighbors module to compute pointwise distances and find nearest neighbors. See NearestNeighbors module documentation for details. leaf_size : int, optional (default = 30) Leaf size passed to BallTree or cKDTree. This can affect the speed of the construction and query, as well as the memory required to store the tree. The optimal value depends on the nature of the problem. p : float, optional The power of the Minkowski metric to be used to calculate distance between points. n_jobs : int, optional (default = 1) The number of parallel jobs to run. If ``-1``, then the number of jobs is set to the number of CPU cores. Attributes ---------- core_sample_indices_ : array, shape = [n_core_samples] Indices of core samples. components_ : array, shape = [n_core_samples, n_features] Copy of each core sample found by training. labels_ : array, shape = [n_samples] Cluster labels for each point in the dataset given to fit(). Noisy samples are given the label -1. Notes ----- For an example, see :ref:`examples/cluster/plot_dbscan.py `. This implementation bulk-computes all neighborhood queries, which increases the memory complexity to O(n.d) where d is the average number of neighbors, while original DBSCAN had memory complexity O(n). Sparse neighborhoods can be precomputed using :func:`NearestNeighbors.radius_neighbors_graph ` with ``mode='distance'``. References ---------- Ester, M., H. P. Kriegel, J. Sander, and X. Xu, "A Density-Based Algorithm for Discovering Clusters in Large Spatial Databases with Noise". In: Proceedings of the 2nd International Conference on Knowledge Discovery and Data Mining, Portland, OR, AAAI Press, pp. 226-231. 1996 """ def __init__(self, eps=0.5, min_samples=5, metric='euclidean', metric_params=None, algorithm='auto', leaf_size=30, p=None, n_jobs=1): self.eps = eps self.min_samples = min_samples self.metric = metric self.metric_params = metric_params self.algorithm = algorithm self.leaf_size = leaf_size self.p = p self.n_jobs = n_jobs def fit(self, X, y=None, sample_weight=None): """Perform DBSCAN clustering from features or distance matrix. Parameters ---------- X : array or sparse (CSR) matrix of shape (n_samples, n_features), or \ array of shape (n_samples, n_samples) A feature array, or array of distances between samples if ``metric='precomputed'``. sample_weight : array, shape (n_samples,), optional Weight of each sample, such that a sample with a weight of at least ``min_samples`` is by itself a core sample; a sample with negative weight may inhibit its eps-neighbor from being core. Note that weights are absolute, and default to 1. y : Ignored """ X = check_array(X, accept_sparse='csr') clust = dbscan(X, sample_weight=sample_weight, **self.get_params()) self.core_sample_indices_, self.labels_ = clust if len(self.core_sample_indices_): # fix for scipy sparse indexing issue self.components_ = X[self.core_sample_indices_].copy() else: # no core samples self.components_ = np.empty((0, X.shape[1])) return self def fit_predict(self, X, y=None, sample_weight=None): """Performs clustering on X and returns cluster labels. Parameters ---------- X : array or sparse (CSR) matrix of shape (n_samples, n_features), or \ array of shape (n_samples, n_samples) A feature array, or array of distances between samples if ``metric='precomputed'``. sample_weight : array, shape (n_samples,), optional Weight of each sample, such that a sample with a weight of at least ``min_samples`` is by itself a core sample; a sample with negative weight may inhibit its eps-neighbor from being core. Note that weights are absolute, and default to 1. y : Ignored Returns ------- y : ndarray, shape (n_samples,) cluster labels """ self.fit(X, sample_weight=sample_weight) return self.labels_