/* multifit/test_nonlinear.c * * Copyright (C) 2007, 2013, 2014 Brian Gough, 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. */ typedef struct { const char *name; double *x0; /* initial parameters (size p) */ double *sigma; double *epsrel; /* relative tolerance for solution checking */ size_t ntries; void (*checksol) (const double x[], const double sumsq, const double epsrel, const char *sname, const char *pname); gsl_multifit_function_fdf *fdf; } test_fdf_problem; #include "test_bard.c" #include "test_beale.c" #include "test_biggs.c" #include "test_box.c" #include "test_boxbod.c" #include "test_brown1.c" #include "test_brown2.c" #include "test_brown3.c" #include "test_eckerle.c" #include "test_enso.c" #include "test_exp1.c" #include "test_gaussian.c" #include "test_hahn1.c" #include "test_helical.c" #include "test_jennrich.c" #include "test_kirby2.c" #include "test_kowalik.c" #include "test_lin1.c" #include "test_lin2.c" #include "test_lin3.c" #include "test_meyer.c" #include "test_meyerscal.c" #include "test_osborne.c" #include "test_penalty1.c" #include "test_penalty2.c" #include "test_powell1.c" #include "test_powell2.c" #include "test_powell3.c" #include "test_rat42.c" #include "test_rat43.c" #include "test_rosenbrock.c" #include "test_rosenbrocke.c" #include "test_roth.c" #include "test_thurber.c" #include "test_vardim.c" #include "test_watson.c" #include "test_wood.c" #include "test_wnlin.c" static void test_fdf(const gsl_multifit_fdfsolver_type * T, const double xtol, const double gtol, const double ftol, const double epsrel, const double x0_scale, test_fdf_problem *problem, const double *wts); static void test_fdfridge(const gsl_multifit_fdfsolver_type * T, const double xtol, const double gtol, const double ftol, const double epsrel, const double x0_scale, test_fdf_problem *problem, const double *wts); static void test_fdf_checksol(const char *sname, const char *pname, const double epsrel, gsl_multifit_fdfsolver *s, test_fdf_problem *problem); static void test_scale_x0(gsl_vector *x0, const double scale); /* * These test problems are taken from * * H. B. Nielsen, UCTP test problems for unconstrained optimization, * IMM Department of Mathematical Modeling, Tech. Report IMM-REP-2000-17, * 2000. */ static test_fdf_problem *test_fdf_nielsen[] = { &lin1_problem, /* 1 */ &lin2_problem, /* 2 */ &lin3_problem, /* 3 */ &rosenbrock_problem, /* 4 */ &helical_problem, /* 5 */ &powell1_problem, /* 6 */ &roth_problem, /* 7 */ &bard_problem, /* 8 */ &kowalik_problem, /* 9 */ &meyer_problem, /* 10 */ &watson_problem, /* 11 */ &box_problem, /* 12 */ &jennrich_problem, /* 13 */ &brown1_problem, /* 14 */ &brown2_problem, /* 16 */ &osborne_problem, /* 17 */ &exp1_problem, /* 18 */ &meyerscal_problem, /* 20 */ &powell2_problem, NULL }; /* * These tests are from * * J. J. More, B. S. Garbow and K. E. Hillstrom, Testing * Unconstrained Optimization Software, ACM Trans. Math. Soft. * Vol 7, No 1, 1981. * * Many of these overlap with the Nielsen tests */ static test_fdf_problem *test_fdf_more[] = { &rosenbrock_problem, /* 1 */ &roth_problem, /* 2 */ &powell3_problem, /* 3 */ &brown3_problem, /* 4 */ &beale_problem, /* 5 */ &jennrich_problem, /* 6 */ &helical_problem, /* 7 */ &bard_problem, /* 8 */ &gaussian_problem, /* 9 */ &meyer_problem, /* 10 */ &box_problem, /* 12 */ &powell1_problem, /* 13 */ &wood_problem, /* 14 */ &kowalik_problem, /* 15 */ &brown1_problem, /* 16 */ &osborne_problem, /* 17 */ &biggs_problem, /* 18 */ &watson_problem, /* 20 */ &rosenbrocke_problem, /* 21 */ &penalty1_problem, /* 23 */ &penalty2_problem, /* 24 */ &vardim_problem, /* 25 */ &brown2_problem, /* 27 */ &lin1_problem, /* 32 */ &lin2_problem, /* 33 */ &lin3_problem, /* 34 */ NULL }; /* NIST test cases */ static test_fdf_problem *test_fdf_nist[] = { &kirby2_problem, &hahn1_problem, &enso_problem, &thurber_problem, &boxbod_problem, &rat42_problem, &eckerle_problem, &rat43_problem, NULL }; static void test_nonlinear(void) { const double xtol = pow(GSL_DBL_EPSILON, 0.9) * 10.0; const double gtol = pow(GSL_DBL_EPSILON, 0.9) * 10.0; const double ftol = 0.0; size_t i, j; /* Nielsen tests */ for (i = 0; test_fdf_nielsen[i] != NULL; ++i) { test_fdf_problem *problem = test_fdf_nielsen[i]; double epsrel = *(problem->epsrel); double scale = 1.0; for (j = 0; j < problem->ntries; ++j) { double eps_scale = epsrel * scale; test_fdf(gsl_multifit_fdfsolver_lmsder, xtol, gtol, ftol, eps_scale, scale, problem, NULL); test_fdfridge(gsl_multifit_fdfsolver_lmsder, xtol, gtol, ftol, eps_scale, scale, problem, NULL); /* test finite difference Jacobian */ { gsl_multifit_function_fdf fdf; fdf.df = problem->fdf->df; problem->fdf->df = NULL; test_fdf(gsl_multifit_fdfsolver_lmsder, xtol, gtol, ftol, 1.0e5 * eps_scale, 1.0, problem, NULL); test_fdfridge(gsl_multifit_fdfsolver_lmsder, xtol, gtol, ftol, 1.0e5 * eps_scale, 1.0, problem, NULL); problem->fdf->df = fdf.df; } scale *= 10.0; } test_fdf(gsl_multifit_fdfsolver_lmniel, xtol, gtol, ftol, 10.0 * epsrel, 1.0, problem, NULL); } /* More tests */ for (i = 0; test_fdf_more[i] != NULL; ++i) { test_fdf_problem *problem = test_fdf_more[i]; double epsrel = *(problem->epsrel); double scale = 1.0; for (j = 0; j < problem->ntries; ++j) { double eps_scale = epsrel * scale; test_fdf(gsl_multifit_fdfsolver_lmsder, xtol, gtol, ftol, eps_scale, scale, problem, NULL); test_fdfridge(gsl_multifit_fdfsolver_lmsder, xtol, gtol, ftol, eps_scale, scale, problem, NULL); /* test finite difference Jacobian */ { gsl_multifit_function_fdf fdf; fdf.df = problem->fdf->df; problem->fdf->df = NULL; test_fdf(gsl_multifit_fdfsolver_lmsder, xtol, gtol, ftol, 1.0e5 * eps_scale, 1.0, problem, NULL); test_fdfridge(gsl_multifit_fdfsolver_lmsder, xtol, gtol, ftol, 1.0e5 * eps_scale, 1.0, problem, NULL); problem->fdf->df = fdf.df; } scale *= 10.0; } test_fdf(gsl_multifit_fdfsolver_lmniel, xtol, gtol, ftol, 10.0 * epsrel, 1.0, problem, NULL); } /* NIST tests */ for (i = 0; test_fdf_nist[i] != NULL; ++i) { test_fdf_problem *problem = test_fdf_nist[i]; double epsrel = *(problem->epsrel); double scale = 1.0; for (j = 0; j < problem->ntries; ++j) { double eps_scale = epsrel * scale; test_fdf(gsl_multifit_fdfsolver_lmsder, xtol, gtol, ftol, eps_scale, scale, problem, NULL); test_fdf(gsl_multifit_fdfsolver_lmder, xtol, gtol, ftol, eps_scale, scale, problem, NULL); /* test finite difference Jacobian */ { gsl_multifit_function_fdf fdf; fdf.df = problem->fdf->df; problem->fdf->df = NULL; test_fdf(gsl_multifit_fdfsolver_lmsder, xtol, gtol, ftol, eps_scale, 1.0, problem, NULL); test_fdf(gsl_multifit_fdfsolver_lmder, xtol, gtol, ftol, eps_scale, scale, problem, NULL); problem->fdf->df = fdf.df; } scale *= 10.0; } test_fdf(gsl_multifit_fdfsolver_lmniel, xtol, gtol, ftol, epsrel, 1.0, problem, NULL); } /* test weighted nonlinear least squares */ /* internal weighting in _f and _df functions */ test_fdf(gsl_multifit_fdfsolver_lmsder, xtol, gtol, ftol, wnlin_epsrel, 1.0, &wnlin_problem1, NULL); test_fdf(gsl_multifit_fdfsolver_lmniel, xtol, gtol, ftol, wnlin_epsrel, 1.0, &wnlin_problem1, NULL); test_fdfridge(gsl_multifit_fdfsolver_lmsder, xtol, gtol, ftol, wnlin_epsrel, 1.0, &wnlin_problem1, NULL); test_fdfridge(gsl_multifit_fdfsolver_lmniel, xtol, gtol, ftol, wnlin_epsrel, 1.0, &wnlin_problem1, NULL); /* weighting through fdfsolver_wset */ test_fdf(gsl_multifit_fdfsolver_lmsder, xtol, gtol, ftol, wnlin_epsrel, 1.0, &wnlin_problem2, wnlin_W); test_fdf(gsl_multifit_fdfsolver_lmniel, xtol, gtol, ftol, wnlin_epsrel, 1.0, &wnlin_problem2, wnlin_W); test_fdfridge(gsl_multifit_fdfsolver_lmsder, xtol, gtol, ftol, wnlin_epsrel, 1.0, &wnlin_problem2, wnlin_W); test_fdfridge(gsl_multifit_fdfsolver_lmniel, xtol, gtol, ftol, wnlin_epsrel, 1.0, &wnlin_problem2, wnlin_W); } /* test_fdf() Test a weighted nonlinear least squares problem Inputs: T - solver to use xtol - tolerance in x gtol - tolerance in gradient ftol - tolerance in residual vector epsrel - relative error tolerance in solution x0_scale - to test robustness against starting points, the standard starting point in 'problem' is multiplied by this scale factor: x0 <- x0 * x0_scale If x0 = 0, then all components of x0 are set to x0_scale problem - contains the nonlinear problem and solution point wts - weight vector (NULL for unweighted) */ static void test_fdf(const gsl_multifit_fdfsolver_type * T, const double xtol, const double gtol, const double ftol, const double epsrel, const double x0_scale, test_fdf_problem *problem, const double *wts) { gsl_multifit_function_fdf *fdf = problem->fdf; const size_t n = fdf->n; const size_t p = fdf->p; const size_t max_iter = 1500; gsl_vector *x0 = gsl_vector_alloc(p); gsl_vector_view x0v = gsl_vector_view_array(problem->x0, p); gsl_multifit_fdfsolver *s = gsl_multifit_fdfsolver_alloc (T, n, p); const char *pname = problem->name; char sname[2048]; int status, info; sprintf(sname, "%s/scale=%g%s", gsl_multifit_fdfsolver_name(s), x0_scale, problem->fdf->df ? "" : "/fdiff"); /* scale starting point x0 */ gsl_vector_memcpy(x0, &x0v.vector); test_scale_x0(x0, x0_scale); if (wts) { gsl_vector_const_view wv = gsl_vector_const_view_array(wts, n); gsl_multifit_fdfsolver_wset(s, fdf, x0, &wv.vector); } else gsl_multifit_fdfsolver_set(s, fdf, x0); status = gsl_multifit_fdfsolver_driver(s, max_iter, xtol, gtol, ftol, &info); gsl_test(status, "%s/%s did not converge, status=%s", sname, pname, gsl_strerror(status)); /* check solution */ test_fdf_checksol(sname, pname, epsrel, s, problem); if (wts == NULL) { /* test again with weighting matrix W = I */ gsl_vector *wv = gsl_vector_alloc(n); sprintf(sname, "%s/scale=%g%s/weights", gsl_multifit_fdfsolver_name(s), x0_scale, problem->fdf->df ? "" : "/fdiff"); gsl_vector_memcpy(x0, &x0v.vector); test_scale_x0(x0, x0_scale); gsl_vector_set_all(wv, 1.0); gsl_multifit_fdfsolver_wset(s, fdf, x0, wv); status = gsl_multifit_fdfsolver_driver(s, max_iter, xtol, gtol, ftol, &info); gsl_test(status, "%s/%s did not converge, status=%s", sname, pname, gsl_strerror(status)); test_fdf_checksol(sname, pname, epsrel, s, problem); gsl_vector_free(wv); } gsl_multifit_fdfsolver_free(s); gsl_vector_free(x0); } /* test_fdfridge() Test a nonlinear least squares problem Inputs: T - solver to use xtol - tolerance in x gtol - tolerance in gradient ftol - tolerance in residual vector epsrel - relative error tolerance in solution x0_scale - to test robustness against starting points, the standard starting point in 'problem' is multiplied by this scale factor: x0 <- x0 * x0_scale If x0 = 0, then all components of x0 are set to x0_scale problem - contains the nonlinear problem and solution point wts - weight vector */ static void test_fdfridge(const gsl_multifit_fdfsolver_type * T, const double xtol, const double gtol, const double ftol, const double epsrel, const double x0_scale, test_fdf_problem *problem, const double *wts) { gsl_multifit_function_fdf *fdf = problem->fdf; const size_t n = fdf->n; const size_t p = fdf->p; const size_t max_iter = 1500; gsl_vector *x0 = gsl_vector_alloc(p); gsl_vector_view x0v = gsl_vector_view_array(problem->x0, p); gsl_multifit_fdfridge *w = gsl_multifit_fdfridge_alloc (T, n, p); const char *pname = problem->name; char sname[2048]; int status, info; double lambda = 0.0; sprintf(sname, "ridge/%s", gsl_multifit_fdfridge_name(w)); /* scale starting point x0 */ gsl_vector_memcpy(x0, &x0v.vector); test_scale_x0(x0, x0_scale); /* test undamped case with lambda = 0 */ if (wts) { gsl_vector_const_view wv = gsl_vector_const_view_array(wts, n); gsl_multifit_fdfridge_wset(w, fdf, x0, lambda, &wv.vector); } else gsl_multifit_fdfridge_set(w, fdf, x0, lambda); status = gsl_multifit_fdfridge_driver(w, max_iter, xtol, gtol, ftol, &info); gsl_test(status, "%s/%s did not converge, status=%s", sname, pname, gsl_strerror(status)); /* check solution */ test_fdf_checksol(sname, pname, epsrel, w->s, problem); /* test for self consisent solution with L = \lambda I */ { const double eps = 1.0e-10; gsl_matrix *L = gsl_matrix_calloc(p, p); gsl_vector_view diag = gsl_matrix_diagonal(L); gsl_multifit_fdfridge *w2 = gsl_multifit_fdfridge_alloc (T, n, p); gsl_vector *y0 = gsl_vector_alloc(p); size_t i; /* pick some value for lambda and set L = \lambda I */ lambda = 5.0; gsl_vector_set_all(&diag.vector, lambda); /* scale initial vector */ gsl_vector_memcpy(x0, &x0v.vector); test_scale_x0(x0, x0_scale); gsl_vector_memcpy(y0, x0); if (wts) { gsl_vector_const_view wv = gsl_vector_const_view_array(wts, n); gsl_multifit_fdfridge_wset(w, fdf, x0, lambda, &wv.vector); gsl_multifit_fdfridge_wset3(w2, fdf, y0, L, &wv.vector); } else { gsl_multifit_fdfridge_set(w, fdf, x0, lambda); gsl_multifit_fdfridge_set3(w2, fdf, y0, L); } /* solve with scalar lambda routine */ status = gsl_multifit_fdfridge_driver(w, max_iter, xtol, gtol, ftol, &info); gsl_test(status, "%s/lambda/%s did not converge, status=%s", sname, pname, gsl_strerror(status)); /* solve with general matrix routine */ status = gsl_multifit_fdfridge_driver(w2, max_iter, xtol, gtol, ftol, &info); gsl_test(status, "%s/L/%s did not converge, status=%s", sname, pname, gsl_strerror(status)); /* test x = y */ for (i = 0; i < p; ++i) { double xi = gsl_vector_get(w->s->x, i); double yi = gsl_vector_get(w2->s->x, i); if (fabs(xi) < eps) { gsl_test_abs(yi, xi, eps, "%s/%s ridge lambda=%g i=%zu", sname, pname, lambda, i); } else { gsl_test_rel(yi, xi, eps, "%s/%s ridge lambda=%g i=%zu", sname, pname, lambda, i); } } gsl_matrix_free(L); gsl_vector_free(y0); gsl_multifit_fdfridge_free(w2); } gsl_multifit_fdfridge_free(w); gsl_vector_free(x0); } static void test_fdf_checksol(const char *sname, const char *pname, const double epsrel, gsl_multifit_fdfsolver *s, test_fdf_problem *problem) { gsl_multifit_function_fdf *fdf = problem->fdf; const double *sigma = problem->sigma; gsl_vector *f = gsl_multifit_fdfsolver_residual(s); gsl_vector *x = gsl_multifit_fdfsolver_position(s); double sumsq; /* check solution vector x and sumsq = ||f||^2 */ gsl_blas_ddot(f, f, &sumsq); (problem->checksol)(x->data, sumsq, epsrel, sname, pname); #if 1 /* check variances */ if (sigma) { const size_t n = fdf->n; const size_t p = fdf->p; size_t i; gsl_matrix * J = gsl_matrix_alloc(n, p); gsl_matrix * covar = gsl_matrix_alloc (p, p); gsl_multifit_fdfsolver_jac (s, J); gsl_multifit_covar(J, 0.0, covar); for (i = 0; i < p; i++) { double ei = sqrt(sumsq/(n-p))*sqrt(gsl_matrix_get(covar,i,i)); gsl_test_rel (ei, sigma[i], epsrel, "%s/%s, sigma(%d)", sname, pname, i) ; } gsl_matrix_free (J); gsl_matrix_free (covar); } #endif } static void test_scale_x0(gsl_vector *x0, const double scale) { double nx = gsl_blas_dnrm2(x0); if (nx == 0.0) gsl_vector_set_all(x0, scale); else gsl_vector_scale(x0, scale); } /* test_scale_x0() */