clustering.cpp
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#include <iostream>
#include <fstream>
#include <float.h>
#include <Eigen/Core>
#include <Eigen/Eigenvalues>
#include "clustering.h"
#include "utils.h"
void complexClusterSpec (std::vector < Complexe > &comps,
std::vector < uint > ¢roidIdsSpec,
std::vector < std::vector < uint > > &clusterIdsSpec) {
// Clustering of the complexes
// Create a file with the graphs of each complex
std::ofstream graphFile;
graphFile.open ("graphNSPDK.txt");
for(size_t i = 0, size = comps.size(); i != size; i++) {
graphFile << comps[i].to_graph(uint(i));
}
graphFile.close();
// SPECTRAL CLUSTERING
// Call NSPDK for kernel matrix computation
system("~/Programme/test/crcpred10/src/NSPDK/NSPDK -R 3 -D 3 -gt DIRECTED -ok -fg graphNSPDK.txt > NSPDK_output.txt");
// Recover kernel matrix
dlib::matrix<double> K;
readKernelMatrix(K, uint(comps.size()));
std::vector < double > data;
for(long i = 0; i < K.nr(); i++)
for (long j = 0; j < K.nc(); j++)
data.push_back(K(i,j));
// Choose epsilon here
// median
double epsilon = 0;
std::nth_element(data.begin(), data.begin() + (data.size() / 2), data.end());
epsilon = data[(data.size() / 2)];
// Choose the number of cluster
long num_clusters = chooseKSpec(K, epsilon);
// Perform Spectral clustering
if(num_clusters > 1) {
clusteringSpectral(K, num_clusters, centroidIdsSpec, clusterIdsSpec);
} else {
centroidIdsSpec.push_back(0);
std::vector < uint > v = std::vector < uint > (0, K.nr());
clusterIdsSpec.push_back(v);
}
}
long chooseKSpec(const dlib::matrix<double> &K, double epsilon) {
uint i, size, j, size2;
// Choice of the number of clusters
std::vector < std::vector < double > > adjacencyMatrix = std::vector < std::vector < double > > (ulong(K.nr()));
std::vector < double > diagMatrix = std::vector < double > (ulong(K.nr()));
// initialize adjacency matrix
for(long i = 0; i < K.nr(); i++) {
adjacencyMatrix[ulong(i)] = std::vector < double > (ulong(K.nr()));
}
// Build a epsilon graph from the data
double degree = 0;
for(long i = 0; i < K.nr(); i++) {
degree = 0;
for (long j = 0; j < K.nc(); j++) {
if (i != j and K(i,j)*1000 > epsilon*1000){
adjacencyMatrix[ulong(i)][ulong(j)] = K(i,j);
adjacencyMatrix[ulong(j)][ulong(i)] = K(i,j);
degree += K(i,j);
} else if (i == j) {
adjacencyMatrix[ulong(i)][ulong(j)] = 0;
}
}
diagMatrix[ulong(i)] = degree;
}
// Laplacian matrix = diagonal matrix - adjacency matrix
// diagonal matrix : degree of each node on the diagonal and 0 otherwise
Eigen::MatrixXd laplacian(K.nr(), K.nr());
for(i = 0, size = uint(adjacencyMatrix.size()); i != size; i++) {
for (j = 0, size2 = uint(adjacencyMatrix[i].size()); j != size2; j++) {
if (i == j) {
laplacian(i,j) = diagMatrix[i] - adjacencyMatrix[i][j];
} else {
laplacian(i,j) = - adjacencyMatrix[i][j];
}
}
}
// Eigen values computation
Eigen::EigenSolver < Eigen::MatrixXd > es;
es.compute(laplacian, /* computeEigenvectors = */ false);
std::vector < double > eigenValues;
for (long i = 0, size = es.eigenvalues().size(); i != size; i++) {
eigenValues.push_back(es.eigenvalues()(i).real());
}
/* sort the eigenValues */
std::sort(eigenValues.begin(), eigenValues.end());
/* find the largest gap between two consecutive eigenValues */
double bestGap = 0;
long num_clusters = 0;
for (size_t i = 1, size = eigenValues.size(); i != size; i++) {
if (std::abs(eigenValues[i-1] - eigenValues[i]) > bestGap) {
bestGap = std::abs(eigenValues[i-1] - eigenValues[i]);
num_clusters = long(i);
}
}
return num_clusters;
}
void clusteringSpectral(dlib::matrix<double> &K, long num_clusters,
std::vector < uint > ¢roidIdsSpec,
std::vector < std::vector < uint > > &clusterIdsSpec) {
for (long r = 0; r < K.nr(); ++r)
K(r,r) = 0;
dlib::matrix<double,0,1> D(K.nr());
for (long r = 0; r < K.nr(); ++r)
D(r) = sum(rowm(K,r));
D = sqrt(reciprocal(D));
K = diagm(D)*K*diagm(D);
dlib::matrix < double > u,w,v;
// Use the normal SVD routine unless the matrix is really big, then use the fast
// approximate version.
if (K.nr() < 1000)
svd3(K,u,w,v);
else
svd_fast(K,u,w,v, ulong(num_clusters)+100, 5);
// Pick out the eigenvectors associated with the largest eigenvalues.
rsort_columns(v,w);
v = colm(v, dlib::range(0,num_clusters-1));
// Now build the normalized spectral vectors, one for each input vector.
std::vector<dlib::matrix<double,0,1> > spec_samps, centersSpec;
for (long r = 0; r < v.nr(); ++r) {
spec_samps.push_back(trans(rowm(v,r)));
const double len = length(spec_samps.back());
if (len != 0.0)
spec_samps.back() /= len;
}
// Finally do the K-means clustering
pick_initial_centers(num_clusters, centersSpec, spec_samps);
find_clusters_using_kmeans(spec_samps, centersSpec);
//std::cout << "apres spectral clustering, classes : " << std::endl;
// And then compute the cluster assignments based on the output of K-means.
clusterIdsSpec = std::vector < std::vector < uint > > (ulong(num_clusters));
for (unsigned long i = 0; i < spec_samps.size(); ++i) {
//std::cout << "Complex " << i << " class " << nearest_center(centersSpec, spec_samps[i]) << "\n";
clusterIdsSpec[nearest_center(centersSpec, spec_samps[i])].push_back(uint(i));
}
//std::cout << "centroides : " << std::endl;
// Pick the best representent of the cluster
// The nearest point to each center
for (size_t i = 0; i < centersSpec.size(); ++i) {
double best_dist = length_squared(centersSpec[i] - spec_samps[0]);
uint best_idx = 0;
for (unsigned long j = 1; j < spec_samps.size(); ++j) {
const double dist = length_squared(centersSpec[i] - spec_samps[j]);
if (dist < best_dist) {
best_dist = dist;
best_idx = uint(j);
}
}
centroidIdsSpec.push_back(best_idx);
//std::cout << "Centroid #" << i << " Graph #" << best_idx << std::endl;
}
}