/* multifit_nlinear/fdjac.c * * Copyright (C) 2013, 2016 Patrick Alken * * 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. * * * This module contains routines for approximating the Jacobian with * finite differences for nonlinear least-squares fitting. */ #include #include #include #include #include static int forward_jac(const double h, const gsl_vector *x, const gsl_vector *wts, gsl_multifit_nlinear_fdf *fdf, const gsl_vector *f, gsl_matrix *J); static int center_jac(const double h, const gsl_vector *x, const gsl_vector *wts, gsl_multifit_nlinear_fdf *fdf, gsl_matrix *J, gsl_vector *work); /* forward_jac() Compute approximate Jacobian using forward differences Inputs: h - finite difference step size x - parameter vector wts - data weights fdf - fdf struct f - (input) vector of function values f_i(x) J - (output) Jacobian matrix Return: success or error */ static int forward_jac(const double h, const gsl_vector *x, const gsl_vector *wts, gsl_multifit_nlinear_fdf *fdf, const gsl_vector *f, gsl_matrix *J) { int status = 0; size_t i, j; double delta; for (j = 0; j < fdf->p; ++j) { double xj = gsl_vector_get(x, j); /* use column j of J as temporary storage for f(x + dx) */ gsl_vector_view v = gsl_matrix_column(J, j); delta = h * fabs(xj); if (delta == 0.0) delta = h; /* perturb x_j to compute forward difference */ gsl_vector_set((gsl_vector *) x, j, xj + delta); status += gsl_multifit_nlinear_eval_f (fdf, x, wts, &v.vector); if (status) return status; /* restore x_j */ gsl_vector_set((gsl_vector *) x, j, xj); delta = 1.0 / delta; for (i = 0; i < fdf->n; ++i) { double fnext = gsl_vector_get(&v.vector, i); double fi = gsl_vector_get(f, i); gsl_matrix_set(J, i, j, (fnext - fi) * delta); } } return status; } /* center_jac() Compute approximate Jacobian using centered differences Inputs: h - finite difference step size x - parameter vector wts - data weights fdf - fdf struct J - (output) Jacobian matrix work - additional workspace, size n Return: success or error */ static int center_jac(const double h, const gsl_vector *x, const gsl_vector *wts, gsl_multifit_nlinear_fdf *fdf, gsl_matrix *J, gsl_vector *work) { int status = 0; size_t i, j; double delta; for (j = 0; j < fdf->p; ++j) { double xj = gsl_vector_get(x, j); /* use column j of J as temporary storage for f(x + dx) */ gsl_vector_view v = gsl_matrix_column(J, j); delta = h * fabs(xj); if (delta == 0.0) delta = h; /* perturb x_j to compute forward difference, f(x + 1/2 delta e_j) */ gsl_vector_set((gsl_vector *) x, j, xj + 0.5 * delta); status += gsl_multifit_nlinear_eval_f (fdf, x, wts, &v.vector); if (status) return status; /* perturb x_j to compute backward difference, f(x - 1/2 delta e_j) */ gsl_vector_set((gsl_vector *) x, j, xj - 0.5 * delta); status += gsl_multifit_nlinear_eval_f (fdf, x, wts, work); if (status) return status; /* restore x_j */ gsl_vector_set((gsl_vector *) x, j, xj); delta = 1.0 / delta; for (i = 0; i < fdf->n; ++i) { double fnext = gsl_vector_get(&v.vector, i); double fprev = gsl_vector_get(work, i); gsl_matrix_set(J, i, j, (fnext - fprev) * delta); } } return status; } /* gsl_multifit_nlinear_df() Compute approximate Jacobian using finite differences Inputs: h - finite difference step size fdtype - finite difference method x - parameter vector wts - data weights (set to NULL if not needed) fdf - fdf f - (input) function values f_i(x) J - (output) approximate (weighted) Jacobian matrix, sqrt(W) * J work - additional workspace for centered differences, size n Return: success or error */ int gsl_multifit_nlinear_df(const double h, const gsl_multifit_nlinear_fdtype fdtype, const gsl_vector *x, const gsl_vector *wts, gsl_multifit_nlinear_fdf *fdf, const gsl_vector *f, gsl_matrix *J, gsl_vector *work) { int status; if (fdtype == GSL_MULTIFIT_NLINEAR_FWDIFF) { status = forward_jac(h, x, wts, fdf, f, J); } else if (fdtype == GSL_MULTIFIT_NLINEAR_CTRDIFF) { status = center_jac(h, x, wts, fdf, J, work); } else { GSL_ERROR("invalid specified fdtype", GSL_EINVAL); } return status; }