使用C++實現kmeans並使用Python可視化聚簇結果

: 本文代碼及方法僅供參考,請勿直接使用

C++實現過程

算法流程

kmeans - 點作爲數據,cluster是點的聚簇
BEGIN
     選出來 k 個點作爲中心點生成聚簇
     循環
          計算點與聚簇的距離
          每個點加入到距離最近的聚簇中
          更新聚簇中心點
          聚簇中心點未變 或 循環次數足夠?退出
     輸出聚簇
END

數據結構設計

爲了設計出更爲通用的結構,選擇採用OOP面向對象設計,結構比較複雜,尤其是距離計算求中心這兩個函數。想要通用,那麼就不能限定距離的計算方法,同理,求中心點的方法也可能是任意的,因此需要作爲參數傳遞給算法。

結構概要

VirtualPoint - 虛擬點類(抽象類),無數據成員,定義了 == != 兩個純虛函數
Cluster - 聚簇類,數據成員: VirtualPoint的集合 和 中心點(VirtualPoint類型)  
          函數成員: 設置中心 更新中心 清空點...
KmeansAlg - 算法框架,run方法實現了聚類算法,提供必要參數(點之間距離計算,求平均點方法),無需重寫算法即可運行

------------------

NDimenPoint - 多維點類,繼承VirtualPoint,用來處理多維數據

首先是兩個通用類 - 虛擬點與聚簇,實際使用的時候,繼承VirtualPoint類,實現兩個運算符之後即可(當然由於avgPointscalcDis兩個函數,可能需要添加其它方法,不過這是另一回事兒了)。

class VirtualPoint {
private:
public:
    VirtualPoint() {}
    virtual ~VirtualPoint() {}
    // 如下的 相等 判斷主要在判斷中心是否更改時用到
    virtual bool operator==(const VirtualPoint &p) = 0;
    virtual bool operator!=(const VirtualPoint &p) = 0;
    virtual string toString() = 0;
};

typedef shared_ptr<VirtualPoint> sharedVPoint;
typedef sharedVPoint avgPointFunc(const vector<sharedVPoint> &); 
// 聚簇類
class Cluster {
private:
    vector<sharedVPoint> points; // 所有的點
    sharedVPoint centroid; // 中心
    avgPointFunc *avgPoints; // 計算所有點的中心的方法
public:
    Cluster(avgPointFunc avg);
    ~Cluster() {}
    Cluster &setCentroid(sharedVPoint p); // 設置中心
    bool updateCentroid(); // 更新中心,使用 avgPoints 函數更新得到新的中心,並且返回新中心是否與舊中心不同
    void clear(); // 清空點
    void addPoint(sharedVPoint p); // 添加點
    string toString(); 
    // 獲取中心與所有的點,輸出時用
    sharedVPoint getCentroid(); 
    const vector<sharedVPoint> &getPoints(); 
};

然後是kmeans主要過程類,注意下面的run方法爲算法框架,已經實現,因此如果要針對其他數據類型實現kmeans,無需修改該類,而是繼承VirtualPoint然後調用該類即可。

// 計算 VirtualPoint 與 Cluster的質心 之間的距離
typedef double calcFunc(const VirtualPoint &, const Cluster &);

class KmeansAlg {
public:
    KmeansAlg() {}
    ~KmeansAlg() {}
    // 生成 k 個 位於 [0, n) 中的隨機數, n < 100000000
    static vector<int> randDiffNumbers(int n, int k);
    static vector<Cluster> run(vector<sharedVPoint> data, int k, calcFunc calcDis, avgPointFunc avgPoints, const int maxRuond = 2000);
};

然後是一個繼承VirtualPoint多維點類,能夠處理任意維度的點

class NDimenPoint : public VirtualPoint {
private:
    int dimension; // 維度
    vector<double> xs; // x1 x2 x3 ...

public:
    NDimenPoint(const int d);
    NDimenPoint(const int d, vector<double> l);
    NDimenPoint(const NDimenPoint &p); 
    ~NDimenPoint();
    bool operator==(const VirtualPoint &p) override; // 重載,需要 static_cast
    bool operator!=(const VirtualPoint &p) override; // 重載,需要 static_cast
    void add(const NDimenPoint &p); // 主要用來計算點的平均值
    NDimenPoint operator/(const int n);
    double disTo(const NDimenPoint &p); // 計算到某個點的距離
    string toString() override;
    // 兩個靜態函數,計算點到聚簇距離 以及 計算點的中心值
    static double calcDisToCluster(const VirtualPoint &p, const Cluster &c);
    static sharedVPoint avgPoints(const vector<sharedVPoint> &points);
};

和多維點類一樣,對於其他非點類型的數據,通過繼承VirtualPoint,實現必要的函數之後即可調用前述KmeansAlgrun方法從而實現kmeans聚類。

代碼:

kmeans_oop.h

#include <algorithm>
#include <cmath>
#include <ctime>
#include <exception>
#include <iostream>
#include <memory>
#include <random>
#include <sstream>
#include <string>
#include <vector>
using std::cerr;
using std::endl;
using std::make_shared;
using std::pow;
using std::shared_ptr;
using std::sqrt;
using std::string;
using std::stringstream;
using std::to_string;
using std::vector;

/**
 * kmeans - 點作爲數據,cluster是點的聚簇
 * BEGIN
 *      選出來 k 個點作爲中心點生成聚簇
 *      循環
 *           計算點與聚簇的距離
 *           每個點加入到距離最近的聚簇中
 *           更新聚簇中心點
 *           聚簇中心點未變?退出
 *      輸出聚簇
 * END
 * 
 * 數據結構
 * 點 - ==() toString()
 * 聚簇 - 計算中心點() 
 * calcDis(point cluster)
 * kmeans() - 
*/

class VirtualPoint {
private:
public:
    VirtualPoint() {}
    virtual ~VirtualPoint() {}
    virtual bool operator==(const VirtualPoint &p) = 0;
    virtual bool operator!=(const VirtualPoint &p) = 0;
    virtual string toString() = 0;
};

typedef shared_ptr<VirtualPoint> sharedVPoint;
typedef sharedVPoint avgPointFunc(const vector<sharedVPoint> &);

class Cluster {
private:
    vector<sharedVPoint> points;
    sharedVPoint centroid;
    avgPointFunc *avgPoints;

public:
    Cluster(avgPointFunc avg) { avgPoints = avg; }
    ~Cluster() {}
    Cluster &setCentroid(sharedVPoint p) {
        centroid = p;
        points.push_back(p);
        return *this;
    }
    bool updateCentroid() {
        sharedVPoint tmpPoint = avgPoints(points);
        if (tmpPoint == nullptr) return false;
        bool changed;
        if (tmpPoint != nullptr && centroid != nullptr)
            changed = (*tmpPoint) != (*centroid);
        else
            changed = true;
        centroid = tmpPoint;
        return changed;
    }
    void clear() { points.clear(); }
    void addPoint(sharedVPoint p) {
        points.push_back(p);
    }
    string toString() const {
        stringstream ss;
        if (centroid == nullptr || points.size() == 0) return "{}";
        ss << "{\"centroid\": " << centroid->toString() << ",\"points\": [";
        for (int i = 0; i < points.size(); i++) {
            if (i > 0) ss << ", ";
            ss << points[i]->toString();
        }
        ss << "]}";
        return ss.str();
    }
    sharedVPoint getCentroid() const { return centroid; }
    const vector<sharedVPoint> &getPoints() { return points; }
};

// 計算 VirtualPoint 與 Cluster的質心 之間的距離
typedef double calcFunc(const VirtualPoint &, const Cluster &);

class KmeansAlg {
public:
    KmeansAlg() {}
    ~KmeansAlg() {}
    // 生成 k 個 位於 [0, n) 中的隨機數, n < 100000000
    static vector<int> randDiffNumbers(int n, int k) {
        const int maxn = 100000000;
        vector<int> res;
        if (n <= 0 || n >= maxn)
            throw std::runtime_error("n is less than zero or greater than maxn(100,000,000)");
        for (int i = 0; i < n; i++)
            res.push_back(i);
        random_shuffle(res.begin(), res.end());
        res.resize(k);
        return res;
    }
    static vector<Cluster> run(vector<sharedVPoint> data, int k, calcFunc calcDis, avgPointFunc avgPoints, const int maxRuond = 2000) {
        if (k <= 1) throw std::runtime_error("k is less than 1");
        vector<Cluster> clusters;
        for (auto &&i : randDiffNumbers(data.size(), k))
            clusters.push_back(Cluster(avgPoints).setCentroid(data[i]));
        for (int round = 0; round < maxRuond; round++) {
            // 清空
            for (auto &&c : clusters) c.clear();
            for (size_t i = 0; i < data.size(); i++) {
                // 計算距離,加入到最近聚簇中
                double minDis = calcDis(*(data[i]), clusters[0]);
                int minIndex = 0;
                for (size_t j = 1; j < clusters.size(); j++) {
                    double tmpDis = calcDis(*(data[i]), clusters[j]);
                    if (tmpDis < minDis) minDis = tmpDis, minIndex = j;
                }
                clusters[minIndex].addPoint(data[i]);
            }
            bool changed = false;
            for (auto &&c : clusters) changed = changed || c.updateCentroid();
            if (!changed) break;

            // cerr << "debug\t\tround: " << round << " ";
            // for (auto &&c : clusters)
            //     if (c.getPoints().size() > 0)
            //         cerr << c.getCentroid()->toString() << ", ";
            // cerr << endl;
        }
        return clusters;
    }
};

kmeans_h

#include "kmeans_oop.h"
using std::cin;
using std::cout;
using std::initializer_list;
using std::runtime_error;
class NDimenPoint : public VirtualPoint {
private:
    int dimension;
    vector<double> xs;
public:
    NDimenPoint(const int d) : dimension(d) { xs.resize(d); }
    NDimenPoint(const int d, vector<double> l) : dimension(d), xs(l){};
    NDimenPoint(const NDimenPoint &p) : dimension(p.dimension), xs(p.xs) {}
    ~NDimenPoint(){};
    bool operator==(const VirtualPoint &p) override {
        auto pp = static_cast<const NDimenPoint &>(p);
        if (dimension != pp.dimension) return false;
        for (size_t i = 0; i < xs.size(); i++)
            if (xs[i] != pp.xs[i]) return false;
        return true;
    }
    bool operator!=(const VirtualPoint &p) override {
        auto pp = static_cast<const NDimenPoint &>(p);
        if (dimension != pp.dimension) return true;
        for (size_t i = 0; i < xs.size(); i++)
            if (xs[i] != pp.xs[i]) return true;
        return false;
    }
    void add(const NDimenPoint &p) {
        if (p.dimension != dimension) throw runtime_error("dimension mismatch");
        for (size_t i = 0; i < xs.size(); i++)
            xs[i] += p.xs[i];
    }
    NDimenPoint operator/(const int n) {
        if (n == 0) throw std::runtime_error("divisor zero error!");
        NDimenPoint res(dimension);
        for (size_t i = 0; i < dimension; i++) {
            res.xs[i] = xs[i] / n;
        }
        return res;
    }
    double disTo(const NDimenPoint &p) {
        double tmp = 0;
        for (size_t i = 0; i < dimension; i++) tmp += pow(xs[i] - p.xs[i], 2);
        return sqrt(tmp);
    }
    string toString() override {
        stringstream ss;
        ss << "[";
        for (size_t i = 0; i < dimension; i++) {
            if (i > 0) ss << ", ";
            ss << xs[i];
        }
        ss << "]";
        return ss.str();
    }
    static double calcDisToCluster(const VirtualPoint &p, const Cluster &c) {
        auto pp = static_cast<const NDimenPoint &>(p);
        auto cp = static_cast<const NDimenPoint &>(*(c.getCentroid()));
        return pp.disTo(cp);
    }
    static sharedVPoint avgPoints(const vector<sharedVPoint> &points) {
        if (points.size() <= 0) return nullptr;
        NDimenPoint resPoint(static_cast<const NDimenPoint &>(*points[0]).dimension);
        for (auto &&p : points)
            resPoint.add(static_cast<const NDimenPoint &>(*p));
        resPoint = resPoint / points.size();
        // cerr << "DEBUG\t" << resPoint.toString() << ", POINTS.SIZE " << points.size() << endl;
        return make_shared<NDimenPoint>(resPoint);
    };
};
vector<NDimenPoint> geneData(int num, const int dimension, double maxVal = 1000) {
    std::default_random_engine generator(time(NULL));
    std::uniform_real_distribution<double> distribution(0, maxVal);
    vector<NDimenPoint> points;
    for (size_t i = 0; i < num; i++) {
        vector<double> tmpVec;
        for (size_t j = 0; j < dimension; j++) tmpVec.push_back(distribution(generator));
        points.push_back(NDimenPoint(dimension, tmpVec));
    }
    return points;
}
void output(const vector<Cluster> &clusters, const int dimension) {
    cout << "{"
         << "\"dimension\":" << dimension << "," << endl
         << "\"clusters\":[";
    for (int i = 0; i < clusters.size(); i++) {
        if (i > 0) cout << ", ";
        std::cout << clusters[i].toString() << std::endl;
    }
    cout << "]}" << endl;
}
void kmeans_work() {
    const int maxRound = 10000;
    const int pointCnt = 150;
    int dimension = 1;
    int k = 0;
    cerr << "dimension, k: ";
    cin >> dimension >> k;
    vector<sharedVPoint> points;
    for (auto &&p : geneData(pointCnt, dimension)) points.push_back(make_shared<NDimenPoint>(p));
    auto clusters = KmeansAlg::run(points, k, NDimenPoint::calcDisToCluster, NDimenPoint::avgPoints, maxRound);
    output(clusters, dimension);
}

main.cpp

int main(int argc, char const *argv[]) {
    kmeans_work();
    return 0;
}

Python可視化過程

原本打算使用opengl可視化,但是繪製一個三角形就需要一二百行代碼實在難以接受且低效,則選擇使用matplotlib實現,支持二維和三維

實現過程的tips:

  1. matplotlib 繪製三維圖 - plt.figure().add_subplot(111, projection='3d')
    1. 二維參數 - ax.scatter(xs=xs, ys=ys, zs=zs, zdir='z', c=color, marker=marker)
    2. 三維參數 - ax.scatter(x=xs, y=ys, c=color, marker=marker)
  2. 散點圖scatter
    1. 可以在一個ax(fig.add_subplot返回值)上多次scatter
    2. 每次scatter的時候可以指定一個顏色’#000000’
    3. marker - “.”: 點, “,”:像素 , “o”: 圈, “^”: 倒三角, “+”: 加, 參考官方文檔

具體實現過程與代碼如下

# 運行kmeans算法
# 將結果(JSON化)輸出到文件中
# 使用Python讀取文件內容
# 使用pyplot可視化

from mpl_toolkits.mplot3d import Axes3D
import matplotlib.pyplot as plt
import json
import random
colors = [
    "#ff0000", "#00ff00", "#0000ff", "#404040", "#ff00ff", "#00ffff", "#C0ff00", "#ffC000", "#ff00C0", "#000070", "#007000", "#700000",
]
def paint(ax, xs, ys, color, zs=None, marker='.'):
    if zs != None:
        ax.scatter(xs=xs, ys=ys, zs=zs, zdir='z', c=color, marker=marker)
    else:
        ax.scatter(x=xs, y=ys, c=color, marker=marker)
def readData():
    random.shuffle(colors)
    data = json.load(open("foo.json", mode="r", encoding="utf-8"))
    dimension = data["dimension"]
    clusters = []
    clusterCnt = 0
    for tmpRawCluster in data["clusters"]:
        tmpCluster = {"centroid": None, "xss": [],
                      "color": colors[clusterCnt % 140]}
        if "centroid" in tmpRawCluster:
            tmpCluster["centroid"] = tmpRawCluster["centroid"]
        for i in range(0, dimension):
            tmpCluster["xss"].append([])
        if "points" in tmpRawCluster:
            for tmpRawPoint in tmpRawCluster["points"]:
                for j in range(0, len(tmpRawPoint)):
                    tmpCluster["xss"][j].append(tmpRawPoint[j])
        clusters.append(tmpCluster)
        clusterCnt += 1
    return {"dimension": dimension, "clusters": clusters}
def work():
    data = readData()
    fig = plt.figure()
    if data["dimension"] == 2:
        ax = fig.add_subplot(111)
        for cluster in data["clusters"]:
            if cluster["centroid"]:
                paint(ax, cluster["xss"][0],
                      cluster["xss"][1], cluster["color"], marker='o')
                paint(ax, [cluster["centroid"][0]], [
                      cluster["centroid"][1]], "#000000", marker='^')
    elif data["dimension"] == 3:
        ax = fig.add_subplot(111, projection='3d')
        for cluster in data["clusters"]:
            paint(ax, cluster["xss"][0], cluster["xss"]
                  [1], cluster["color"], cluster["xss"][2])
    plt.show()
    pass
if __name__ == "__main__":
    work()

部分截圖

如下效果圖僅供參考,三角形爲聚簇中心點,後續考慮使用更優化的算法。

二維效果圖
三維效果圖

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