diff options
Diffstat (limited to 'src/Kernels/include/gudhi/kernel.h')
-rw-r--r-- | src/Kernels/include/gudhi/kernel.h | 365 |
1 files changed, 0 insertions, 365 deletions
diff --git a/src/Kernels/include/gudhi/kernel.h b/src/Kernels/include/gudhi/kernel.h deleted file mode 100644 index 3293cc62..00000000 --- a/src/Kernels/include/gudhi/kernel.h +++ /dev/null @@ -1,365 +0,0 @@ -/* This file is part of the Gudhi Library. The Gudhi library - * (Geometric Understanding in Higher Dimensions) is a generic C++ - * library for computational topology. - * - * Author(s): Mathieu Carrière - * - * Copyright (C) 2018 INRIA (France) - * - * This program is free software: you can redistribute it and/or modify - * it under the terms of the GNU General Public License as published by - * the Free Software Foundation, either version 3 of the License, or - * (at your option) any later version. - * - * This program is distributed in the hope that it will be useful, - * but WITHOUT ANY WARRANTY; without even the implied warranty of - * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the - * GNU General Public License for more details. - * - * You should have received a copy of the GNU General Public License - * along with this program. If not, see <http://www.gnu.org/licenses/>. - */ - -#ifndef KERNEL_H_ -#define KERNEL_H_ - -#include <cstdlib> -#include <vector> -#include <algorithm> -#include <cmath> -#include <random> -#include <limits> //for numeric_limits<> -#include <utility> //for pair<> - -#include <boost/math/constants/constants.hpp> - - -namespace Gudhi { -namespace kernel { - -using PD = std::vector<std::pair<double,double> >; -double pi = boost::math::constants::pi<double>(); - - - - -// ******************************************************************** -// Utils. -// ******************************************************************** - -bool sortAngle(const std::pair<double, std::pair<int,int> >& p1, const std::pair<double, std::pair<int,int> >& p2){return (p1.first < p2.first);} -bool myComp(const std::pair<int,double> & P1, const std::pair<int,double> & P2){return P1.second < P2.second;} - -double pss_weight(std::pair<double,double> P){ - if(P.second > P.first) return 1; - else return -1; -} - -double arctan_weight(std::pair<double,double> P){ - return atan(P.second - P.first); -} - -// Compute the angle formed by two points of a PD -double compute_angle(const PD & PersDiag, const int & i, const int & j){ - std::pair<double,double> vect; double x1,y1, x2,y2; - x1 = PersDiag[i].first; y1 = PersDiag[i].second; - x2 = PersDiag[j].first; y2 = PersDiag[j].second; - if (y1 - y2 > 0){ - vect.first = y1 - y2; - vect.second = x2 - x1;} - else{ - if(y1 - y2 < 0){ - vect.first = y2 - y1; - vect.second = x1 - x2; - } - else{ - vect.first = 0; - vect.second = abs(x1 - x2);} - } - double norm = std::sqrt(vect.first*vect.first + vect.second*vect.second); - return asin(vect.second/norm); -} - -// Compute the integral of |cos()| between alpha and beta, valid only if alpha is in [-pi,pi] and beta-alpha is in [0,pi] -double compute_int_cos(const double & alpha, const double & beta){ - double res = 0; - if (alpha >= 0 && alpha <= pi){ - if (cos(alpha) >= 0){ - if(pi/2 <= beta){res = 2-sin(alpha)-sin(beta);} - else{res = sin(beta)-sin(alpha);} - } - else{ - if(1.5*pi <= beta){res = 2+sin(alpha)+sin(beta);} - else{res = sin(alpha)-sin(beta);} - } - } - if (alpha >= -pi && alpha <= 0){ - if (cos(alpha) <= 0){ - if(-pi/2 <= beta){res = 2+sin(alpha)+sin(beta);} - else{res = sin(alpha)-sin(beta);} - } - else{ - if(pi/2 <= beta){res = 2-sin(alpha)-sin(beta);} - else{res = sin(beta)-sin(alpha);} - } - } - return res; -} - -double compute_int(const double & theta1, const double & theta2, const int & p, const int & q, const PD & PD1, const PD & PD2){ - double norm = std::sqrt( (PD1[p].first-PD2[q].first)*(PD1[p].first-PD2[q].first) + (PD1[p].second-PD2[q].second)*(PD1[p].second-PD2[q].second) ); - double angle1; - if (PD1[p].first > PD2[q].first) - angle1 = theta1 - asin( (PD1[p].second-PD2[q].second)/norm ); - else - angle1 = theta1 - asin( (PD2[q].second-PD1[p].second)/norm ); - double angle2 = angle1 + theta2 - theta1; - double integral = compute_int_cos(angle1,angle2); - return norm*integral; -} - -template<class Weight = std::function<double (std::pair<double,double>) > > -std::vector<std::pair<double,double> > Fourier_feat(PD D, std::vector<std::pair<double,double> > Z, Weight weight = arctan_weight){ - int m = D.size(); std::vector<std::pair<double,double> > B; int M = Z.size(); - for(int i = 0; i < M; i++){ - double d1 = 0; double d2 = 0; double zx = Z[i].first; double zy = Z[i].second; - for(int j = 0; j < m; j++){ - double x = D[j].first; double y = D[j].second; - d1 += weight(D[j])*cos(x*zx + y*zy); - d2 += weight(D[j])*sin(x*zx + y*zy); - } - B.emplace_back(d1,d2); - } - return B; -} - -std::vector<std::pair<double,double> > random_Fourier(double sigma, int M = 1000){ - std::normal_distribution<double> distrib(0,1); std::vector<std::pair<double,double> > Z; std::random_device rd; - for(int i = 0; i < M; i++){ - std::mt19937 e1(rd()); std::mt19937 e2(rd()); - double zx = distrib(e1); double zy = distrib(e2); - Z.emplace_back(zx/sigma,zy/sigma); - } - return Z; -} - - - - - - - - - - -// ******************************************************************** -// Kernel computation. -// ******************************************************************** - - - - - -/** \brief Computes the Linear Persistence Weighted Gaussian Kernel between two persistence diagrams with random Fourier features. - * \ingroup kernel - * - * @param[in] PD1 first persistence diagram. - * @param[in] PD2 second persistence diagram. - * @param[in] sigma bandwidth parameter of the Gaussian Kernel used for the Kernel Mean Embedding of the diagrams. - * @param[in] weight weight function for the points in the diagrams. - * @param[in] M number of Fourier features (set -1 for exact computation). - * - */ -template<class Weight = std::function<double (std::pair<double,double>) > > -double linear_persistence_weighted_gaussian_kernel(const PD & PD1, const PD & PD2, double sigma, Weight weight = arctan_weight, int M = 1000){ - - if(M == -1){ - int num_pts1 = PD1.size(); int num_pts2 = PD2.size(); double k = 0; - for(int i = 0; i < num_pts1; i++) - for(int j = 0; j < num_pts2; j++) - k += weight(PD1[i])*weight(PD2[j])*exp(-((PD1[i].first-PD2[j].first)*(PD1[i].first-PD2[j].first) + (PD1[i].second-PD2[j].second)*(PD1[i].second-PD2[j].second))/(2*sigma*sigma)); - return k; - } - else{ - std::vector<std::pair<double,double> > Z = random_Fourier(sigma, M); - std::vector<std::pair<double,double> > B1 = Fourier_feat(PD1,Z,weight); - std::vector<std::pair<double,double> > B2 = Fourier_feat(PD2,Z,weight); - double d = 0; for(int i = 0; i < M; i++) d += B1[i].first*B2[i].first + B1[i].second*B2[i].second; - return d/M; - } -} - -/** \brief Computes the Persistence Scale Space Kernel between two persistence diagrams with random Fourier features. - * \ingroup kernel - * - * @param[in] PD1 first persistence diagram. - * @param[in] PD2 second persistence diagram. - * @param[in] sigma bandwidth parameter of the Gaussian Kernel used for the Kernel Mean Embedding of the diagrams. - * @param[in] M number of Fourier features (set -1 for exact computation). - * - */ -double persistence_scale_space_kernel(const PD & PD1, const PD & PD2, double sigma, int M = 1000){ - PD pd1 = PD1; int numpts = PD1.size(); for(int i = 0; i < numpts; i++) pd1.emplace_back(PD1[i].second,PD1[i].first); - PD pd2 = PD2; numpts = PD2.size(); for(int i = 0; i < numpts; i++) pd2.emplace_back(PD2[i].second,PD2[i].first); - return linear_persistence_weighted_gaussian_kernel(pd1, pd2, 2*sqrt(sigma), pss_weight, M) / (2*8*pi*sigma); -} - - -/** \brief Computes the Gaussian Persistence Weighted Gaussian Kernel between two persistence diagrams with random Fourier features. - * \ingroup kernel - * - * @param[in] PD1 first persistence diagram. - * @param[in] PD2 second persistence diagram. - * @param[in] sigma bandwidth parameter of the Gaussian Kernel used for the Kernel Mean Embedding of the diagrams. - * @param[in] tau bandwidth parameter of the Gaussian Kernel used between the embeddings. - * @param[in] weight weight function for the points in the diagrams. - * @param[in] M number of Fourier features (set -1 for exact computation). - * - */ -template<class Weight = std::function<double (std::pair<double,double>) > > -double gaussian_persistence_weighted_gaussian_kernel(const PD & PD1, const PD & PD2, double sigma, double tau, Weight weight = arctan_weight, int M = 1000){ - double k1 = linear_persistence_weighted_gaussian_kernel(PD1,PD1,sigma,weight,M); - double k2 = linear_persistence_weighted_gaussian_kernel(PD2,PD2,sigma,weight,M); - double k3 = linear_persistence_weighted_gaussian_kernel(PD1,PD2,sigma,weight,M); - return exp( - (k1+k2-2*k3) / (2*tau*tau) ); -} - - -/** \brief Computes the Sliced Wasserstein Kernel between two persistence diagrams with sampled directions. - * \ingroup kernel - * - * @param[in] PD1 first persistence diagram. - * @param[in] PD2 second persistence diagram. - * @param[in] sigma bandwidth parameter. - * @param[in] N number of points sampled on the circle (set -1 for exact computation). - * - */ -double sliced_wasserstein_kernel(PD PD1, PD PD2, double sigma, int N = 100){ - - if(N == -1){ - - // Add projections onto diagonal. - int n1, n2; n1 = PD1.size(); n2 = PD2.size(); double max_ordinate = std::numeric_limits<double>::lowest(); - for (int i = 0; i < n2; i++){ - max_ordinate = std::max(max_ordinate, PD2[i].second); - PD1.emplace_back( (PD2[i].first+PD2[i].second)/2, (PD2[i].first+PD2[i].second)/2 ); - } - for (int i = 0; i < n1; i++){ - max_ordinate = std::max(max_ordinate, PD1[i].second); - PD2.emplace_back( (PD1[i].first+PD1[i].second)/2, (PD1[i].first+PD1[i].second)/2 ); - } - int num_pts_dgm = PD1.size(); - - // Slightly perturb the points so that the PDs are in generic positions. - int mag = 0; while(max_ordinate > 10){mag++; max_ordinate/=10;} - double thresh = pow(10,-5+mag); - srand(time(NULL)); - for (int i = 0; i < num_pts_dgm; i++){ - PD1[i].first += thresh*(1.0-2.0*rand()/RAND_MAX); PD1[i].second += thresh*(1.0-2.0*rand()/RAND_MAX); - PD2[i].first += thresh*(1.0-2.0*rand()/RAND_MAX); PD2[i].second += thresh*(1.0-2.0*rand()/RAND_MAX); - } - - // Compute all angles in both PDs. - std::vector<std::pair<double, std::pair<int,int> > > angles1, angles2; - for (int i = 0; i < num_pts_dgm; i++){ - for (int j = i+1; j < num_pts_dgm; j++){ - double theta1 = compute_angle(PD1,i,j); double theta2 = compute_angle(PD2,i,j); - angles1.emplace_back(theta1, std::pair<int,int>(i,j)); - angles2.emplace_back(theta2, std::pair<int,int>(i,j)); - } - } - - // Sort angles. - std::sort(angles1.begin(), angles1.end(), sortAngle); std::sort(angles2.begin(), angles2.end(), sortAngle); - - // Initialize orders of the points of both PDs (given by ordinates when theta = -pi/2). - std::vector<int> orderp1, orderp2; - for (int i = 0; i < num_pts_dgm; i++){ orderp1.push_back(i); orderp2.push_back(i); } - std::sort( orderp1.begin(), orderp1.end(), [=](int i, int j){ if(PD1[i].second != PD1[j].second) return (PD1[i].second < PD1[j].second); else return (PD1[i].first > PD1[j].first); } ); - std::sort( orderp2.begin(), orderp2.end(), [=](int i, int j){ if(PD2[i].second != PD2[j].second) return (PD2[i].second < PD2[j].second); else return (PD2[i].first > PD2[j].first); } ); - - // Find the inverses of the orders. - std::vector<int> order1(num_pts_dgm); std::vector<int> order2(num_pts_dgm); - for(int i = 0; i < num_pts_dgm; i++) for (int j = 0; j < num_pts_dgm; j++) if(orderp1[j] == i){ order1[i] = j; break; } - for(int i = 0; i < num_pts_dgm; i++) for (int j = 0; j < num_pts_dgm; j++) if(orderp2[j] == i){ order2[i] = j; break; } - - // Record all inversions of points in the orders as theta varies along the positive half-disk. - std::vector<std::vector<std::pair<int,double> > > anglePerm1(num_pts_dgm); - std::vector<std::vector<std::pair<int,double> > > anglePerm2(num_pts_dgm); - - int M1 = angles1.size(); - for (int i = 0; i < M1; i++){ - double theta = angles1[i].first; int p = angles1[i].second.first; int q = angles1[i].second.second; - anglePerm1[order1[p]].emplace_back(p,theta); - anglePerm1[order1[q]].emplace_back(q,theta); - int a = order1[p]; int b = order1[q]; order1[p] = b; order1[q] = a; - } - - int M2 = angles2.size(); - for (int i = 0; i < M2; i++){ - double theta = angles2[i].first; int p = angles2[i].second.first; int q = angles2[i].second.second; - anglePerm2[order2[p]].emplace_back(p,theta); - anglePerm2[order2[q]].emplace_back(q,theta); - int a = order2[p]; int b = order2[q]; order2[p] = b; order2[q] = a; - } - - for (int i = 0; i < num_pts_dgm; i++){ - anglePerm1[order1[i]].emplace_back(i,pi/2); - anglePerm2[order2[i]].emplace_back(i,pi/2); - } - - // Compute the SW distance with the list of inversions. - double sw = 0; - for (int i = 0; i < num_pts_dgm; i++){ - std::vector<std::pair<int,double> > U,V; U = anglePerm1[i]; V = anglePerm2[i]; - double theta1, theta2; theta1 = -pi/2; - unsigned int ku, kv; ku = 0; kv = 0; theta2 = std::min(U[ku].second,V[kv].second); - while(theta1 != pi/2){ - if(PD1[U[ku].first].first != PD2[V[kv].first].first || PD1[U[ku].first].second != PD2[V[kv].first].second) - if(theta1 != theta2) - sw += compute_int(theta1, theta2, U[ku].first, V[kv].first, PD1, PD2); - theta1 = theta2; - if ( (theta2 == U[ku].second) && ku < U.size()-1 ) ku++; - if ( (theta2 == V[kv].second) && kv < V.size()-1 ) kv++; - theta2 = std::min(U[ku].second, V[kv].second); - } - } - - return exp( -(sw/pi)/(2*sigma*sigma) ); - - } - - - else{ - double step = pi/N; double sw = 0; - - // Add projections onto diagonal. - int n1, n2; n1 = PD1.size(); n2 = PD2.size(); - for (int i = 0; i < n2; i++) - PD1.emplace_back( (PD2[i].first + PD2[i].second)/2, (PD2[i].first + PD2[i].second)/2 ); - for (int i = 0; i < n1; i++) - PD2.emplace_back( (PD1[i].first + PD1[i].second)/2, (PD1[i].first + PD1[i].second)/2 ); - int n = PD1.size(); - - // Sort and compare all projections. - //#pragma omp parallel for - for (int i = 0; i < N; i++){ - std::vector<std::pair<int,double> > L1, L2; - for (int j = 0; j < n; j++){ - L1.emplace_back( j, PD1[j].first*cos(-pi/2+i*step) + PD1[j].second*sin(-pi/2+i*step) ); - L2.emplace_back( j, PD2[j].first*cos(-pi/2+i*step) + PD2[j].second*sin(-pi/2+i*step) ); - } - std::sort(L1.begin(),L1.end(), myComp); std::sort(L2.begin(),L2.end(), myComp); - double f = 0; for (int j = 0; j < n; j++) f += std::abs(L1[j].second - L2[j].second); - sw += f*step; - } - return exp( -(sw/pi)/(2*sigma*sigma) ); - } -} - - -} // namespace kernel - -} // namespace Gudhi - -#endif //KERNEL_H_ |