python/ c++中有pyclustering(所以它很快!)，可以让你指定一个自定义度量函数

from pyclustering.cluster.kmeans import kmeans
from pyclustering.utils.metric import type_metric, distance_metric

user_function = lambda point1, point2: point1[0] + point2[0] + 2
metric = distance_metric(type_metric.USER_DEFINED, func=user_function)

# create K-Means algorithm with specific distance metric
start_centers = [[4.7, 5.9], [5.7, 6.5]];
kmeans_instance = kmeans(sample, start_centers, metric=metric)

# run cluster analysis and obtain results
kmeans_instance.process()
clusters = kmeans_instance.get_clusters()

实际上，我还没有测试这段代码，但它拼凑在一起从一个票和示例代码。

这是一个用20多个距离中的任意一个的小kmeans scipy.spatial。距离，或者用户函数。 欢迎评论(到目前为止只有一个用户，还不够); 特别是，你的N，暗度，k度规是什么?

#!/usr/bin/env python
# kmeans.py using any of the 20-odd metrics in scipy.spatial.distance
# kmeanssample 2 pass, first sample sqrt(N)

from __future__ import division
import random
import numpy as np
from scipy.spatial.distance import cdist  # $scipy/spatial/distance.py
    # http://docs.scipy.org/doc/scipy/reference/spatial.html
from scipy.sparse import issparse  # $scipy/sparse/csr.py

__date__ = "2011-11-17 Nov denis"
    # X sparse, any cdist metric: real app ?
    # centres get dense rapidly, metrics in high dim hit distance whiteout
    # vs unsupervised / semi-supervised svm

#...............................................................................
def kmeans( X, centres, delta=.001, maxiter=10, metric="euclidean", p=2, verbose=1 ):
    """ centres, Xtocentre, distances = kmeans( X, initial centres ... )
    in:
        X N x dim  may be sparse
        centres k x dim: initial centres, e.g. random.sample( X, k )
        delta: relative error, iterate until the average distance to centres
            is within delta of the previous average distance
        maxiter
        metric: any of the 20-odd in scipy.spatial.distance
            "chebyshev" = max, "cityblock" = L1, "minkowski" with p=
            or a function( Xvec, centrevec ), e.g. Lqmetric below
        p: for minkowski metric -- local mod cdist for 0 < p < 1 too
        verbose: 0 silent, 2 prints running distances
    out:
        centres, k x dim
        Xtocentre: each X -> its nearest centre, ints N -> k
        distances, N
    see also: kmeanssample below, class Kmeans below.
    """
    if not issparse(X):
        X = np.asanyarray(X)  # ?
    centres = centres.todense() if issparse(centres) \
        else centres.copy()
    N, dim = X.shape
    k, cdim = centres.shape
    if dim != cdim:
        raise ValueError( "kmeans: X %s and centres %s must have the same number of columns" % (
            X.shape, centres.shape ))
    if verbose:
        print "kmeans: X %s  centres %s  delta=%.2g  maxiter=%d  metric=%s" % (
            X.shape, centres.shape, delta, maxiter, metric)
    allx = np.arange(N)
    prevdist = 0
    for jiter in range( 1, maxiter+1 ):
        D = cdist_sparse( X, centres, metric=metric, p=p )  # |X| x |centres|
        xtoc = D.argmin(axis=1)  # X -> nearest centre
        distances = D[allx,xtoc]
        avdist = distances.mean()  # median ?
        if verbose >= 2:
            print "kmeans: av |X - nearest centre| = %.4g" % avdist
        if (1 - delta) * prevdist <= avdist <= prevdist \
        or jiter == maxiter:
            break
        prevdist = avdist
        for jc in range(k):  # (1 pass in C)
            c = np.where( xtoc == jc )[0]
            if len(c) > 0:
                centres[jc] = X[c].mean( axis=0 )
    if verbose:
        print "kmeans: %d iterations  cluster sizes:" % jiter, np.bincount(xtoc)
    if verbose >= 2:
        r50 = np.zeros(k)
        r90 = np.zeros(k)
        for j in range(k):
            dist = distances[ xtoc == j ]
            if len(dist) > 0:
                r50[j], r90[j] = np.percentile( dist, (50, 90) )
        print "kmeans: cluster 50 % radius", r50.astype(int)
        print "kmeans: cluster 90 % radius", r90.astype(int)
            # scale L1 / dim, L2 / sqrt(dim) ?
    return centres, xtoc, distances

#...............................................................................
def kmeanssample( X, k, nsample=0, **kwargs ):
    """ 2-pass kmeans, fast for large N:
        1) kmeans a random sample of nsample ~ sqrt(N) from X
        2) full kmeans, starting from those centres
    """
        # merge w kmeans ? mttiw
        # v large N: sample N^1/2, N^1/2 of that
        # seed like sklearn ?
    N, dim = X.shape
    if nsample == 0:
        nsample = max( 2*np.sqrt(N), 10*k )
    Xsample = randomsample( X, int(nsample) )
    pass1centres = randomsample( X, int(k) )
    samplecentres = kmeans( Xsample, pass1centres, **kwargs )[0]
    return kmeans( X, samplecentres, **kwargs )

def cdist_sparse( X, Y, **kwargs ):
    """ -> |X| x |Y| cdist array, any cdist metric
        X or Y may be sparse -- best csr
    """
        # todense row at a time, v slow if both v sparse
    sxy = 2*issparse(X) + issparse(Y)
    if sxy == 0:
        return cdist( X, Y, **kwargs )
    d = np.empty( (X.shape[0], Y.shape[0]), np.float64 )
    if sxy == 2:
        for j, x in enumerate(X):
            d[j] = cdist( x.todense(), Y, **kwargs ) [0]
    elif sxy == 1:
        for k, y in enumerate(Y):
            d[:,k] = cdist( X, y.todense(), **kwargs ) [0]
    else:
        for j, x in enumerate(X):
            for k, y in enumerate(Y):
                d[j,k] = cdist( x.todense(), y.todense(), **kwargs ) [0]
    return d

def randomsample( X, n ):
    """ random.sample of the rows of X
        X may be sparse -- best csr
    """
    sampleix = random.sample( xrange( X.shape[0] ), int(n) )
    return X[sampleix]

def nearestcentres( X, centres, metric="euclidean", p=2 ):
    """ each X -> nearest centre, any metric
            euclidean2 (~ withinss) is more sensitive to outliers,
            cityblock (manhattan, L1) less sensitive
    """
    D = cdist( X, centres, metric=metric, p=p )  # |X| x |centres|
    return D.argmin(axis=1)

def Lqmetric( x, y=None, q=.5 ):
    # yes a metric, may increase weight of near matches; see ...
    return (np.abs(x - y) ** q) .mean() if y is not None \
        else (np.abs(x) ** q) .mean()

#...............................................................................
class Kmeans:
    """ km = Kmeans( X, k= or centres=, ... )
        in: either initial centres= for kmeans
            or k= [nsample=] for kmeanssample
        out: km.centres, km.Xtocentre, km.distances
        iterator:
            for jcentre, J in km:
                clustercentre = centres[jcentre]
                J indexes e.g. X[J], classes[J]
    """
    def __init__( self, X, k=0, centres=None, nsample=0, **kwargs ):
        self.X = X
        if centres is None:
            self.centres, self.Xtocentre, self.distances = kmeanssample(
                X, k=k, nsample=nsample, **kwargs )
        else:
            self.centres, self.Xtocentre, self.distances = kmeans(
                X, centres, **kwargs )

    def __iter__(self):
        for jc in range(len(self.centres)):
            yield jc, (self.Xtocentre == jc)

#...............................................................................
if __name__ == "__main__":
    import random
    import sys
    from time import time

    N = 10000
    dim = 10
    ncluster = 10
    kmsample = 100  # 0: random centres, > 0: kmeanssample
    kmdelta = .001
    kmiter = 10
    metric = "cityblock"  # "chebyshev" = max, "cityblock" L1,  Lqmetric
    seed = 1

    exec( "\n".join( sys.argv[1:] ))  # run this.py N= ...
    np.set_printoptions( 1, threshold=200, edgeitems=5, suppress=True )
    np.random.seed(seed)
    random.seed(seed)

    print "N %d  dim %d  ncluster %d  kmsample %d  metric %s" % (
        N, dim, ncluster, kmsample, metric)
    X = np.random.exponential( size=(N,dim) )
        # cf scikits-learn datasets/
    t0 = time()
    if kmsample > 0:
        centres, xtoc, dist = kmeanssample( X, ncluster, nsample=kmsample,
            delta=kmdelta, maxiter=kmiter, metric=metric, verbose=2 )
    else:
        randomcentres = randomsample( X, ncluster )
        centres, xtoc, dist = kmeans( X, randomcentres,
            delta=kmdelta, maxiter=kmiter, metric=metric, verbose=2 )
    print "%.0f msec" % ((time() - t0) * 1000)

    # also ~/py/np/kmeans/test-kmeans.py

2012年3月26日增加了一些说明:

1)对于余弦距离，首先将所有数据向量归一化为|X| = 1;然后

cosinedistance( X, Y ) = 1 - X . Y = Euclidean distance |X - Y|^2 / 2

是快。对于位向量，将范数与向量分开 而不是展开到浮点数 (尽管有些程序可能会为你扩展)。 对于稀疏向量，比如N, X的1%。Y需要时间O(2% N)， 空间O (N);但我不知道哪个程序能做到。

2） Scikit-learn集群 给出了k-means, mini-batch-k-means… 使用在scipy上工作的代码。稀疏矩阵。

3)总是在k-means之后检查聚类大小。 如果你期待大致相同大小的集群，但是它们出来了 [44 37 9 5 5] %……(挠头的声音)。

def distance_metrics(dist_metrics):
    kmeans_instance = kmeans(trs_data, initial_centers, metric=dist_metrics)

    label = np.zeros(210, dtype=int)
    for i in range(0, len(clusters)):
        for index, j in enumerate(clusters[i]):
            label[j] = i

不幸的是没有:scikit-learn目前实现的k-means只使用欧几里得距离。

将k-means扩展到其他距离并不是一件简单的事情，denis上面的回答并不是对其他度量实现k-means的正确方法。

是的，在当前稳定版本的sklearn (scikit-learn 1.1.3)中，您可以轻松地使用自己的距离度量。你所要做的就是创建一个继承自sklearn.cluster.KMeans的类，并覆盖它的_transform方法。

下面的例子是IOU与Yolov2论文的距离。

import sklearn.cluster
import numpy as np

def anchor_iou(box_dims, centroid_box_dims):
    box_w, box_h = box_dims[..., 0], box_dims[..., 1]
    centroid_w, centroid_h = centroid_box_dims[..., 0], centroid_box_dims[..., 1]
    inter_w = np.minimum(box_w[..., np.newaxis], centroid_w[np.newaxis, ...])
    inter_h = np.minimum(box_h[..., np.newaxis], centroid_h[np.newaxis, ...])
    inter_area = inter_w * inter_h
    centroid_area = centroid_w * centroid_h
    box_area = box_w * box_h
    return inter_area / (
        centroid_area[np.newaxis, ...] + box_area[..., np.newaxis] - inter_area
    )

class IOUKMeans(sklearn.cluster.KMeans):
    def __init__(
        self,
        n_clusters=8,
        *,
        init="k-means++",
        n_init=10,
        max_iter=300,
        tol=1e-4,
        verbose=0,
        random_state=None,
        copy_x=True,
        algorithm="lloyd",
    ):
        super().__init__(
            n_clusters=n_clusters,
            init=init,
            n_init=n_init,
            max_iter=max_iter,
            tol=tol,
            verbose=verbose,
            random_state=random_state,
            copy_x=copy_x,
            algorithm=algorithm
        )

    def _transform(self, X):
        return anchor_iou(X, self.cluster_centers_)

rng = np.random.default_rng(12345)
num_boxes = 10
bboxes = rng.integers(low=0, high=100, size=(num_boxes, 2))

kmeans = IOUKMeans(num_clusters).fit(bboxes)

python/ c++中有pyclustering(所以它很快!)，可以让你指定一个自定义度量函数

from pyclustering.cluster.kmeans import kmeans
from pyclustering.utils.metric import type_metric, distance_metric

user_function = lambda point1, point2: point1[0] + point2[0] + 2
metric = distance_metric(type_metric.USER_DEFINED, func=user_function)

# create K-Means algorithm with specific distance metric
start_centers = [[4.7, 5.9], [5.7, 6.5]];
kmeans_instance = kmeans(sample, start_centers, metric=metric)

# run cluster analysis and obtain results
kmeans_instance.process()
clusters = kmeans_instance.get_clusters()

实际上，我还没有测试这段代码，但它拼凑在一起从一个票和示例代码。