《机器学习实战》学习笔记———利用K-均值聚类算法对未标注数据分组

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引言

K-均值算法试图将一系列样本分割成K个不同的类簇（其中K是模型的输入参数），其形式化的目标函数称为类簇内的方差和（within cluster sum of squared errors，WCSS）。K-均值聚类的目的是最小化所有类簇中的方差之和。标准的K-均值算法初始化K个类中心（为每个类簇中所有样本的平均向量）

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原理

k-均值聚类算法

创建$K$个点作为起始质点（经常是随机选择）
进行迭代
  将每个数据点分配到离他距离最近的质点的簇。
  全部分配后，用各个簇中的数据点的位置均值来更新质点的位置
直到达到迭代次数，或者所有的数据点所在的簇不发生改变

这意味着需要某种距离运算。数据集上k-均值算法的性能会受到所选距离计算方法的影响。我们可列出k-均值聚类支持函数:

def loadDataSet(fileName):      #general function to parse tab -delimited floats
    dataMat = []                #assume last column is target value
    fr = open(fileName)
    for line in fr.readlines():
        curLine = line.strip().split('\t')
        fltLine = map(float,curLine) #map all elements to float()
        dataMat.append(fltLine)
    return dataMat

def distEclud(vecA, vecB):
    return sqrt(sum(power(vecA - vecB, 2))) #la.norm(vecA-vecB)

def randCent(dataSet, k):
    n = shape(dataSet)[1]
    centroids = mat(zeros((k,n)))#create centroid mat
    for j in range(n):#create random cluster centers, within bounds of each dimension
        minJ = min(dataSet[:,j]) 
        rangeJ = float(max(dataSet[:,j]) - minJ)
        centroids[:,j] = mat(minJ + rangeJ * random.rand(k,1))
    return centroids

第一个函数的功能是进行数据导入，第二个函数的功能是计算两个向量的欧氏距离，最后一个函数是为给定数据集构建一个包含$k$个随机之心的集合。
然后便是k-均值聚类算法：

def kMeans(dataSet, k, distMeas=distEclud, createCent=randCent):
    m = shape(dataSet)[0]
    clusterAssment = mat(zeros((m,2)))#create mat to assign data points 
                                      #to a centroid, also holds SE of each point
    centroids = createCent(dataSet, k)
    clusterChanged = True
    while clusterChanged:
        clusterChanged = False
        for i in range(m):#for each data point assign it to the closest centroid
            minDist = inf; minIndex = -1
            for j in range(k):
                distJI = distMeas(centroids[j,:],dataSet[i,:])
                if distJI < minDist:
                    minDist = distJI; minIndex = j
            if clusterAssment[i,0] != minIndex: clusterChanged = True
            clusterAssment[i,:] = minIndex,minDist**2
        print centroids
        for cent in range(k):#recalculate centroids
            ptsInClust = dataSet[nonzero(clusterAssment[:,0].A==cent)[0]]#get all the point in this cluster
            centroids[cent,:] = mean(ptsInClust, axis=0) #assign centroid to mean 
    return centroids, clusterAssment

实例分析

可以对它进行一些测试，测试集采用如下测试集

              一个书中自带的测试集

输入如下命令：

datMat=mat(loadDataSet('testSet.txt'))
myCentroids,clustAssing=kMeans(datMat,4)

得到如下结果，进行了四次迭代后算法收敛

二分k-均值算法

将所有点看成一个簇
当簇数目小于k时
   对于每一个簇：
    计算总误差
    在给定的簇上面进行K-均值聚类$（k=2）$
  计算将该簇一分为二后的总误差
  选择使得误差最小的那个簇进行划分操作

代码如下

def biKmeans(dataSet, k, distMeas=distEclud):
    m = shape(dataSet)[0]
    clusterAssment = mat(zeros((m,2)))
    centroid0 = mean(dataSet, axis=0).tolist()[0]
    centList =[centroid0] #create a list with one centroid
    for j in range(m):#calc initial Error
        clusterAssment[j,1] = distMeas(mat(centroid0), dataSet[j,:])**2
    while (len(centList) < k):
        lowestSSE = inf
        for i in range(len(centList)):
            ptsInCurrCluster = dataSet[nonzero(clusterAssment[:,0].A==i)[0],:]#get the data points currently in cluster i
            centroidMat, splitClustAss = kMeans(ptsInCurrCluster, 2, distMeas)
            sseSplit = sum(splitClustAss[:,1])#compare the SSE to the currrent minimum
            sseNotSplit = sum(clusterAssment[nonzero(clusterAssment[:,0].A!=i)[0],1])
            print ("sseSplit, and notSplit: ",sseSplit,sseNotSplit)
            if (sseSplit + sseNotSplit) < lowestSSE:
                bestCentToSplit = i
                bestNewCents = centroidMat
                bestClustAss = splitClustAss.copy()
                lowestSSE = sseSplit + sseNotSplit
        bestClustAss[nonzero(bestClustAss[:,0].A == 1)[0],0] = len(centList) #change 1 to 3,4, or whatever
        bestClustAss[nonzero(bestClustAss[:,0].A == 0)[0],0] = bestCentToSplit
        print ('the bestCentToSplit is: ',bestCentToSplit)
        print ('the len of bestClustAss is: ', len(bestClustAss))
        centList[bestCentToSplit] = bestNewCents[0,:].tolist()[0]#replace a centroid with two best centroids 
        centList.append(bestNewCents[1,:].tolist()[0])
        clusterAssment[nonzero(clusterAssment[:,0].A == bestCentToSplit)[0],:]= bestClustAss#reassign new clusters, and SSE
    return mat(centList), clusterAssment

实例分析

在上述测试集中进行测试
输入

datMat=mat(loadDataSet('testSet.txt'))
CentList,MyNewAssments=biKmeans(datMat,4)
print(CentList)

得到聚类结果

也可用一个较难的数据集

              一个书中自带的测试集

输入

datMat=mat(loadDataSet('testSet2.txt'))
CentList,MyNewAssments=biKmeans(datMat,3)
print(CentList)

得到聚类结果

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实例

运用经典的iris数据集进行分类

使用经典的k-均值算法进行分类

datMat=mat(loadDataSet('iris.txt'))
CentList,MyNewAssments=kMeans(datMat,3)

可得到迭代结果

经过10次迭代，算法收敛最后的聚类中心

以及最后的聚类集

              部分聚类集

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代码

from numpy import *
import matplotlib.pyplot as plt 

def loadDataSet(fileName):      #general function to parse tab -delimited floats
    dataMat = []                #assume last column is target value
    fr = open(fileName)
    for line in fr.readlines():
        curLine = line.strip().split('\t')
        fltLine = list(map(float,curLine)) #map all elements to float()
        dataMat.append(fltLine)
    return dataMat

def distEclud(vecA, vecB):
    return sqrt(sum(power(vecA - vecB, 2))) #la.norm(vecA-vecB)

def randCent(dataSet, k):
    n = shape(dataSet)[1]
    centroids = mat(zeros((k,n)))#create centroid mat
    for j in range(n):#create random cluster centers, within bounds of each dimension
        minJ = min(dataSet[:,j]) 
        rangeJ = float(max(dataSet[:,j]) - minJ)
        centroids[:,j] = mat(minJ + rangeJ * random.rand(k,1))
    return centroids

def kMeans(dataSet, k, distMeas=distEclud, createCent=randCent):
    m = shape(dataSet)[0]
    clusterAssment = mat(zeros((m,2)))#create mat to assign data points 
                                      #to a centroid, also holds SE of each point
    centroids = createCent(dataSet, k)
    clusterChanged = True
    while clusterChanged:
        clusterChanged = False
        for i in range(m):#for each data point assign it to the closest centroid
            minDist = inf; minIndex = -1
            for j in range(k):
                distJI = distMeas(centroids[j,:],dataSet[i,:])
                if distJI < minDist:
                    minDist = distJI; minIndex = j
            if clusterAssment[i,0] != minIndex: clusterChanged = True
            clusterAssment[i,:] = minIndex,minDist**2
        print (centroids)
        for cent in range(k):#recalculate centroids
            ptsInClust = dataSet[nonzero(clusterAssment[:,0].A==cent)[0]]#get all the point in this cluster
            centroids[cent,:] = mean(ptsInClust, axis=0) #assign centroid to mean 
    return centroids, clusterAssment

def biKmeans(dataSet, k, distMeas=distEclud):
    m = shape(dataSet)[0]
    clusterAssment = mat(zeros((m,2)))
    centroid0 = mean(dataSet, axis=0).tolist()[0]
    centList =[centroid0] #create a list with one centroid
    for j in range(m):#calc initial Error
        clusterAssment[j,1] = distMeas(mat(centroid0), dataSet[j,:])**2
    while (len(centList) < k):
        lowestSSE = inf
        for i in range(len(centList)):
            ptsInCurrCluster = dataSet[nonzero(clusterAssment[:,0].A==i)[0],:]#get the data points currently in cluster i
            centroidMat, splitClustAss = kMeans(ptsInCurrCluster, 2, distMeas)
            sseSplit = sum(splitClustAss[:,1])#compare the SSE to the currrent minimum
            sseNotSplit = sum(clusterAssment[nonzero(clusterAssment[:,0].A!=i)[0],1])
            print ("sseSplit, and notSplit: ",sseSplit,sseNotSplit)
            if (sseSplit + sseNotSplit) < lowestSSE:
                bestCentToSplit = i
                bestNewCents = centroidMat
                bestClustAss = splitClustAss.copy()
                lowestSSE = sseSplit + sseNotSplit
        bestClustAss[nonzero(bestClustAss[:,0].A == 1)[0],0] = len(centList) #change 1 to 3,4, or whatever
        bestClustAss[nonzero(bestClustAss[:,0].A == 0)[0],0] = bestCentToSplit
        print ('the bestCentToSplit is: ',bestCentToSplit)
        print ('the len of bestClustAss is: ', len(bestClustAss))
        centList[bestCentToSplit] = bestNewCents[0,:].tolist()[0]#replace a centroid with two best centroids 
        centList.append(bestNewCents[1,:].tolist()[0])
        clusterAssment[nonzero(clusterAssment[:,0].A == bestCentToSplit)[0],:]= bestClustAss#reassign new clusters, and SSE
    return mat(centList), clusterAssment

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参考文献

《机器学习实战》