/* multifit/lmpar.c * * Copyright (C) 1996, 1997, 1998, 1999, 2000, 2007 Brian Gough * * 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, write to the Free Software * Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA. */ #include #include "qrsolv.c" static size_t count_nsing (const gsl_matrix * r) { /* Count the number of nonsingular entries. Returns the index of the first entry which is singular. */ size_t n = r->size2; size_t i; for (i = 0; i < n; i++) { double rii = gsl_matrix_get (r, i, i); if (rii == 0) { break; } } return i; } static void compute_newton_direction (const gsl_matrix * r, const gsl_permutation * perm, const gsl_vector * qtf, gsl_vector * x) { /* Compute and store in x the Gauss-Newton direction. If the Jacobian is rank-deficient then obtain a least squares solution. */ const size_t n = r->size2; size_t i, j, nsing; for (i = 0 ; i < n ; i++) { double qtfi = gsl_vector_get (qtf, i); gsl_vector_set (x, i, qtfi); } nsing = count_nsing (r); #ifdef DEBUG printf("nsing = %d\n", nsing); printf("r = "); gsl_matrix_fprintf(stdout, r, "%g"); printf("\n"); printf("qtf = "); gsl_vector_fprintf(stdout, x, "%g"); printf("\n"); #endif for (i = nsing; i < n; i++) { gsl_vector_set (x, i, 0.0); } if (nsing > 0) { for (j = nsing; j > 0 && j--;) { double rjj = gsl_matrix_get (r, j, j); double temp = gsl_vector_get (x, j) / rjj; gsl_vector_set (x, j, temp); for (i = 0; i < j; i++) { double rij = gsl_matrix_get (r, i, j); double xi = gsl_vector_get (x, i); gsl_vector_set (x, i, xi - rij * temp); } } } gsl_permute_vector_inverse (perm, x); } static void compute_newton_correction (const gsl_matrix * r, const gsl_vector * sdiag, const gsl_permutation * p, gsl_vector * x, double dxnorm, const gsl_vector * diag, gsl_vector * w) { size_t n = r->size2; size_t i, j; for (i = 0; i < n; i++) { size_t pi = gsl_permutation_get (p, i); double dpi = gsl_vector_get (diag, pi); double xpi = gsl_vector_get (x, pi); gsl_vector_set (w, i, dpi * (dpi * xpi) / dxnorm); } for (j = 0; j < n; j++) { double sj = gsl_vector_get (sdiag, j); double wj = gsl_vector_get (w, j); double tj = wj / sj; gsl_vector_set (w, j, tj); for (i = j + 1; i < n; i++) { double rij = gsl_matrix_get (r, i, j); double wi = gsl_vector_get (w, i); gsl_vector_set (w, i, wi - rij * tj); } } } static void compute_newton_bound (const gsl_matrix * r, const gsl_vector * x, double dxnorm, const gsl_permutation * perm, const gsl_vector * diag, gsl_vector * w) { /* If the jacobian is not rank-deficient then the Newton step provides a lower bound for the zero of the function. Otherwise set this bound to zero. */ size_t n = r->size2; size_t i, j; size_t nsing = count_nsing (r); if (nsing < n) { gsl_vector_set_zero (w); return; } for (i = 0; i < n; i++) { size_t pi = gsl_permutation_get (perm, i); double dpi = gsl_vector_get (diag, pi); double xpi = gsl_vector_get (x, pi); gsl_vector_set (w, i, dpi * (dpi * xpi / dxnorm)); } for (j = 0; j < n; j++) { double sum = 0; for (i = 0; i < j; i++) { sum += gsl_matrix_get (r, i, j) * gsl_vector_get (w, i); } { double rjj = gsl_matrix_get (r, j, j); double wj = gsl_vector_get (w, j); gsl_vector_set (w, j, (wj - sum) / rjj); } } } /* compute scaled gradient g = D^{-1} J^T f (see More' eq 7.2) */ static void compute_gradient_direction (const gsl_matrix * r, const gsl_permutation * p, const gsl_vector * qtf, const gsl_vector * diag, gsl_vector * g) { const size_t n = r->size2; size_t i, j; for (j = 0; j < n; j++) { double sum = 0; for (i = 0; i <= j; i++) { sum += gsl_matrix_get (r, i, j) * gsl_vector_get (qtf, i); } { size_t pj = gsl_permutation_get (p, j); double dpj = gsl_vector_get (diag, pj); gsl_vector_set (g, j, sum / dpj); } } } /* compute gradient g = J^T f */ static void compute_gradient (const gsl_matrix * r, const gsl_vector * qtf, gsl_vector * g) { const size_t n = r->size2; size_t i, j; for (j = 0; j < n; j++) { double sum = 0; for (i = 0; i <= j; i++) { sum += gsl_matrix_get (r, i, j) * gsl_vector_get (qtf, i); } gsl_vector_set (g, j, sum); } } static int lmpar (gsl_matrix * r, const gsl_permutation * perm, const gsl_vector * qtf, const gsl_vector * diag, double delta, double * par_inout, gsl_vector * newton, gsl_vector * gradient, gsl_vector * sdiag, gsl_vector * x, gsl_vector * w) { double dxnorm, gnorm, fp, fp_old, par_lower, par_upper, par_c; double par = *par_inout; size_t iter = 0; #ifdef DEBUG printf("ENTERING lmpar\n"); #endif compute_newton_direction (r, perm, qtf, newton); #ifdef DEBUG printf ("newton = "); gsl_vector_fprintf (stdout, newton, "%g"); printf ("\n"); printf ("diag = "); gsl_vector_fprintf (stdout, diag, "%g"); printf ("\n"); #endif /* Evaluate the function at the origin and test for acceptance of the Gauss-Newton direction. */ dxnorm = scaled_enorm (diag, newton); fp = dxnorm - delta; #ifdef DEBUG printf ("dxnorm = %g, delta = %g, fp = %g\n", dxnorm, delta, fp); #endif if (fp <= 0.1 * delta) { gsl_vector_memcpy (x, newton); #ifdef DEBUG printf ("took newton (fp = %g, delta = %g)\n", fp, delta); #endif *par_inout = 0; return GSL_SUCCESS; } #ifdef DEBUG printf ("r = "); gsl_matrix_fprintf (stdout, r, "%g"); printf ("\n"); printf ("newton = "); gsl_vector_fprintf (stdout, newton, "%g"); printf ("\n"); printf ("dxnorm = %g\n", dxnorm); #endif compute_newton_bound (r, newton, dxnorm, perm, diag, w); #ifdef DEBUG printf("perm = "); gsl_permutation_fprintf(stdout, perm, "%d"); printf ("diag = "); gsl_vector_fprintf (stdout, diag, "%g"); printf ("\n"); printf ("w = "); gsl_vector_fprintf (stdout, w, "%g"); printf ("\n"); #endif { double wnorm = enorm (w); double phider = wnorm * wnorm; /* w == zero if r rank-deficient, then set lower bound to zero form MINPACK, lmder.f Hans E. Plesser 2002-02-25 (hans.plesser@itf.nlh.no) */ if ( wnorm > 0 ) par_lower = fp / (delta * phider); else par_lower = 0.0; } #ifdef DEBUG printf("par = %g\n", par ); printf("par_lower = %g\n", par_lower); #endif compute_gradient_direction (r, perm, qtf, diag, gradient); gnorm = enorm (gradient); #ifdef DEBUG printf("gradient = "); gsl_vector_fprintf(stdout, gradient, "%g"); printf("\n"); printf("gnorm = %g\n", gnorm); #endif par_upper = gnorm / delta; if (par_upper == 0) { par_upper = GSL_DBL_MIN / GSL_MIN_DBL(delta, 0.1); } #ifdef DEBUG printf("par_upper = %g\n", par_upper); #endif if (par > par_upper) { #ifdef DEBUG printf("set par to par_upper\n"); #endif par = par_upper; } else if (par < par_lower) { #ifdef DEBUG printf("set par to par_lower\n"); #endif par = par_lower; } if (par == 0) { par = gnorm / dxnorm; #ifdef DEBUG printf("set par to gnorm/dxnorm = %g\n", par); #endif } /* Beginning of iteration */ iteration: iter++; #ifdef DEBUG printf("lmpar iteration = %d\n", iter); #endif #ifdef BRIANSFIX /* Seems like this is described in the paper but not in the MINPACK code */ if (par < par_lower || par > par_upper) { par = GSL_MAX_DBL (0.001 * par_upper, sqrt(par_lower * par_upper)); } #endif /* Evaluate the function at the current value of par */ if (par == 0) { par = GSL_MAX_DBL (0.001 * par_upper, GSL_DBL_MIN); #ifdef DEBUG printf("par = 0, set par to = %g\n", par); #endif } /* Compute the least squares solution of [ R P x - Q^T f, sqrt(par) D x] for A = Q R P^T */ #ifdef DEBUG printf ("calling qrsolv with par = %g\n", par); #endif { double sqrt_par = sqrt(par); qrsolv (r, perm, sqrt_par, diag, qtf, x, sdiag, w); } dxnorm = scaled_enorm (diag, x); fp_old = fp; fp = dxnorm - delta; #ifdef DEBUG printf ("After qrsolv dxnorm = %g, delta = %g, fp = %g\n", dxnorm, delta, fp); printf ("sdiag = ") ; gsl_vector_fprintf(stdout, sdiag, "%g"); printf("\n"); printf ("x = ") ; gsl_vector_fprintf(stdout, x, "%g"); printf("\n"); printf ("r = ") ; gsl_matrix_fprintf(stdout, r, "%g"); printf("\nXXX\n"); #endif /* If the function is small enough, accept the current value of par */ if (fabs (fp) <= 0.1 * delta) goto line220; if (par_lower == 0 && fp <= fp_old && fp_old < 0) goto line220; /* Check for maximum number of iterations */ if (iter == 10) goto line220; /* Compute the Newton correction */ compute_newton_correction (r, sdiag, perm, x, dxnorm, diag, w); #ifdef DEBUG printf ("newton_correction = "); gsl_vector_fprintf(stdout, w, "%g"); printf("\n"); #endif { double wnorm = enorm (w); par_c = fp / (delta * wnorm * wnorm); } #ifdef DEBUG printf("fp = %g\n", fp); printf("par_lower = %g\n", par_lower); printf("par_upper = %g\n", par_upper); printf("par_c = %g\n", par_c); #endif /* Depending on the sign of the function, update par_lower or par_upper */ if (fp > 0) { if (par > par_lower) { par_lower = par; #ifdef DEBUG printf("fp > 0: set par_lower = par = %g\n", par); #endif } } else if (fp < 0) { if (par < par_upper) { #ifdef DEBUG printf("fp < 0: set par_upper = par = %g\n", par); #endif par_upper = par; } } /* Compute an improved estimate for par */ #ifdef DEBUG printf("improved estimate par = MAX(%g, %g) \n", par_lower, par+par_c); #endif par = GSL_MAX_DBL (par_lower, par + par_c); #ifdef DEBUG printf("improved estimate par = %g \n", par); #endif goto iteration; line220: #ifdef DEBUG printf("LEAVING lmpar, par = %g\n", par); #endif *par_inout = par; return GSL_SUCCESS; }