// @(#)root/minuit2:$Id$ // Authors: M. Winkler, F. James, L. Moneta, A. Zsenei 2003-2005 /********************************************************************** * * * Copyright (c) 2005 LCG ROOT Math team, CERN/PH-SFT * * * **********************************************************************/ #include "Minuit2/SimplexBuilder.h" #include "Minuit2/FunctionMinimum.h" #include "Minuit2/MnFcn.h" #include "Minuit2/MinimumSeed.h" #include "Minuit2/SimplexParameters.h" #include "Minuit2/MinimumState.h" #if defined(DEBUG) || defined(WARNINGMSG) #include "Minuit2/MnPrint.h" #endif namespace ROOT { namespace Minuit2 { //#define DEBUG 1 FunctionMinimum SimplexBuilder::Minimum(const MnFcn& mfcn, const GradientCalculator&, const MinimumSeed& seed, const MnStrategy&, unsigned int maxfcn, double minedm) const { // find the minimum using the Simplex method of Nelder and Mead (does not use function gradient) // method to find initial simplex is slightly different than in the orginal Fortran // Minuit since has not been proofed that one to be better #ifdef DEBUG std::cout << "Running Simplex with maxfcn = " << maxfcn << " minedm = " << minedm << std::endl; #endif const MnMachinePrecision& prec = seed.Precision(); MnAlgebraicVector x = seed.Parameters().Vec(); MnAlgebraicVector step = 10.*seed.Gradient().Gstep(); unsigned int n = x.size(); double wg = 1./double(n); double alpha = 1., beta = 0.5, gamma = 2., rhomin = 4., rhomax = 8.; double rho1 = 1. + alpha; //double rho2 = rho1 + alpha*gamma; //change proposed by david sachs (fnal) double rho2 = 1. + alpha*gamma; std::vector > simpl; simpl.reserve(n+1); simpl.push_back(std::pair(seed.Fval(), x)); unsigned int jl = 0, jh = 0; double amin = seed.Fval(), aming = seed.Fval(); for(unsigned int i = 0; i < n; i++) { double dmin = 8.*prec.Eps2()*(fabs(x(i)) + prec.Eps2()); if(step(i) < dmin) step(i) = dmin; x(i) += step(i); double tmp = mfcn(x); if(tmp < amin) { amin = tmp; jl = i+1; } if(tmp > aming) { aming = tmp; jh = i+1; } simpl.push_back(std::pair(tmp, x)); x(i) -= step(i); } SimplexParameters simplex(simpl, jh, jl); #ifdef DEBUG std::cout << "simplex initial parameters - min " << jl << " " << amin << " max " << jh << " " << aming << std::endl; for (unsigned int i = 0; i < simplex.Simplex().size(); ++i) std::cout << " i = " << i << " x = " << simplex(i).second << " fval(x) = " << simplex(i).first << std::endl; #endif double edmPrev = simplex.Edm(); int niterations = 0; do { jl = simplex.Jl(); jh = simplex.Jh(); amin = simplex(jl).first; edmPrev = simplex.Edm(); #ifdef DEBUG std::cout << "\n\nsimplex iteration: edm = " << simplex.Edm() << "\n--> Min Param is " << jl << " pmin " << simplex(jl).second << " f(pmin) " << amin << "\n--> Max param is " << jh << " " << simplex(jh).first << std::endl; // std::cout << "ALL SIMPLEX PARAMETERS: "<< std::endl; // for (unsigned int i = 0; i < simplex.Simplex().size(); ++i) // std::cout << " i = " << i << " x = " << simplex(i).second << " fval(x) = " << simplex(i).first << std::endl; #endif // trace the iterations (need to create a MinimunState although errors and gradient are not existing) if (TraceIter() ) TraceIteration(niterations, MinimumState(MinimumParameters(simplex(jl).second,simplex(jl).first), simplex.Edm(), mfcn.NumOfCalls()) ); if (PrintLevel() > 1) MnPrint::PrintState(std::cout,simplex(jl).first, simplex.Edm(),mfcn.NumOfCalls(),"Simplex: Iteration # ", niterations); niterations++; MnAlgebraicVector pbar(n); for(unsigned int i = 0; i < n+1; i++) { if(i == jh) continue; pbar += (wg*simplex(i).second); } MnAlgebraicVector pstar = (1. + alpha)*pbar - alpha*simplex(jh).second; double ystar = mfcn(pstar); #ifdef DEBUG std::cout << " pbar = " << pbar << std::endl; std::cout << " pstar = " << pstar << " f(pstar) = " << ystar << std::endl; #endif if(ystar > amin) { if(ystar < simplex(jh).first) { simplex.Update(ystar, pstar); if(jh != simplex.Jh()) continue; } MnAlgebraicVector pstst = beta*simplex(jh).second + (1. - beta)*pbar; double ystst = mfcn(pstst); #ifdef DEBUG std::cout << "Reduced simplex pstst = " << pstst << " f(pstst) = " << ystst << std::endl; #endif if(ystst > simplex(jh).first) break; simplex.Update(ystst, pstst); continue; } MnAlgebraicVector pstst = gamma*pstar + (1. - gamma)*pbar; double ystst = mfcn(pstst); #ifdef DEBUG std::cout << " pstst = " << pstst << " f(pstst) = " << ystst << std::endl; #endif double y1 = (ystar - simplex(jh).first)*rho2; double y2 = (ystst - simplex(jh).first)*rho1; double rho = 0.5*(rho2*y1 - rho1*y2)/(y1 - y2); if(rho < rhomin) { if(ystst < simplex(jl).first) simplex.Update(ystst, pstst); else simplex.Update(ystar, pstar); continue; } if(rho > rhomax) rho = rhomax; MnAlgebraicVector prho = rho*pbar + (1. - rho)*simplex(jh).second; double yrho = mfcn(prho); #ifdef DEBUG std::cout << " prho = " << prho << " f(prho) = " << yrho << std::endl; #endif if(yrho < simplex(jl).first && yrho < ystst) { simplex.Update(yrho, prho); continue; } if(ystst < simplex(jl).first) { simplex.Update(ystst, pstst); continue; } if(yrho > simplex(jl).first) { if(ystst < simplex(jl).first) simplex.Update(ystst, pstst); else simplex.Update(ystar, pstar); continue; } if(ystar > simplex(jh).first) { pstst = beta*simplex(jh).second + (1. - beta)*pbar; ystst = mfcn(pstst); if(ystst > simplex(jh).first) break; simplex.Update(ystst, pstst); } #ifdef DEBUG std::cout << "End loop : edm = " << simplex.Edm() << " pstst = " << pstst << " f(pstst) = " << ystst << std::endl; #endif } while( (simplex.Edm() > minedm || edmPrev > minedm ) && mfcn.NumOfCalls() < maxfcn); jl = simplex.Jl(); jh = simplex.Jh(); amin = simplex(jl).first; MnAlgebraicVector pbar(n); for(unsigned int i = 0; i < n+1; i++) { if(i == jh) continue; pbar += (wg*simplex(i).second); } double ybar = mfcn(pbar); if(ybar < amin) simplex.Update(ybar, pbar); else { pbar = simplex(jl).second; ybar = simplex(jl).first; } MnAlgebraicVector dirin = simplex.Dirin(); // Scale to sigmas on parameters werr^2 = dirin^2 * (up/edm) dirin *= sqrt(mfcn.Up()/simplex.Edm()); #ifdef DEBUG std::cout << "End simplex " << simplex.Edm() << " pbar = " << pbar << " f(p) = " << ybar << std::endl; #endif MinimumState st(MinimumParameters(pbar, dirin, ybar), simplex.Edm(), mfcn.NumOfCalls()); if (PrintLevel() > 1) MnPrint::PrintState(std::cout,st,"Simplex: Final iteration"); if (TraceIter() ) TraceIteration(niterations, st); if(mfcn.NumOfCalls() > maxfcn) { #ifdef WARNINGMSG MN_INFO_MSG("Simplex did not converge, #fcn calls exhausted."); #endif return FunctionMinimum(seed, std::vector(1, st), mfcn.Up(), FunctionMinimum::MnReachedCallLimit()); } if(simplex.Edm() > minedm) { #ifdef WARNINGMSG MN_INFO_MSG("Simplex did not converge, edm > minedm."); #endif return FunctionMinimum(seed, std::vector(1, st), mfcn.Up(), FunctionMinimum::MnAboveMaxEdm()); } return FunctionMinimum(seed, std::vector(1, st), mfcn.Up()); } } // namespace Minuit2 } // namespace ROOT