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/* multifit/multilinear.c
*
* Copyright (C) 2000 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 2 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 <config.h>
#include <gsl/gsl_errno.h>
#include <gsl/gsl_multifit.h>
#include <gsl/gsl_blas.h>
#include <gsl/gsl_linalg.h>
/* Fit
*
* y = X c
*
* where X is an M x N matrix of M observations for N variables.
*
*/
int
gsl_multifit_linear (const gsl_matrix * X,
const gsl_vector * y,
gsl_vector * c,
gsl_matrix * cov,
double *chisq, gsl_multifit_linear_workspace * work)
{
size_t rank;
int status = gsl_multifit_linear_svd (X, y, GSL_DBL_EPSILON, &rank, c,
cov, chisq, work);
return status;
}
/* Handle the general case of the SVD with tolerance and rank */
int
gsl_multifit_linear_svd (const gsl_matrix * X,
const gsl_vector * y,
double tol,
size_t * rank,
gsl_vector * c,
gsl_matrix * cov,
double *chisq, gsl_multifit_linear_workspace * work)
{
if (X->size1 != y->size)
{
GSL_ERROR
("number of observations in y does not match rows of matrix X",
GSL_EBADLEN);
}
else if (X->size2 != c->size)
{
GSL_ERROR ("number of parameters c does not match columns of matrix X",
GSL_EBADLEN);
}
else if (cov->size1 != cov->size2)
{
GSL_ERROR ("covariance matrix is not square", GSL_ENOTSQR);
}
else if (c->size != cov->size1)
{
GSL_ERROR
("number of parameters does not match size of covariance matrix",
GSL_EBADLEN);
}
else if (X->size1 != work->n || X->size2 != work->p)
{
GSL_ERROR
("size of workspace does not match size of observation matrix",
GSL_EBADLEN);
}
else if (tol <= 0)
{
GSL_ERROR ("tolerance must be positive", GSL_EINVAL);
}
else
{
const size_t n = X->size1;
const size_t p = X->size2;
size_t i, j, p_eff;
gsl_matrix *A = work->A;
gsl_matrix *Q = work->Q;
gsl_matrix *QSI = work->QSI;
gsl_vector *S = work->S;
gsl_vector *xt = work->xt;
gsl_vector *D = work->D;
/* Copy X to workspace, A <= X */
gsl_matrix_memcpy (A, X);
/* Balance the columns of the matrix A */
gsl_linalg_balance_columns (A, D);
/* Decompose A into U S Q^T */
gsl_linalg_SV_decomp_mod (A, QSI, Q, S, xt);
/* Solve y = A c for c */
gsl_blas_dgemv (CblasTrans, 1.0, A, y, 0.0, xt);
/* Scale the matrix Q, Q' = Q S^-1 */
gsl_matrix_memcpy (QSI, Q);
{
double alpha0 = gsl_vector_get (S, 0);
p_eff = 0;
for (j = 0; j < p; j++)
{
gsl_vector_view column = gsl_matrix_column (QSI, j);
double alpha = gsl_vector_get (S, j);
if (alpha <= tol * alpha0) {
alpha = 0.0;
} else {
alpha = 1.0 / alpha;
p_eff++;
}
gsl_vector_scale (&column.vector, alpha);
}
*rank = p_eff;
}
gsl_vector_set_zero (c);
gsl_blas_dgemv (CblasNoTrans, 1.0, QSI, xt, 0.0, c);
/* Unscale the balancing factors */
gsl_vector_div (c, D);
/* Compute chisq, from residual r = y - X c */
{
double s2 = 0, r2 = 0;
for (i = 0; i < n; i++)
{
double yi = gsl_vector_get (y, i);
gsl_vector_const_view row = gsl_matrix_const_row (X, i);
double y_est, ri;
gsl_blas_ddot (&row.vector, c, &y_est);
ri = yi - y_est;
r2 += ri * ri;
}
s2 = r2 / (n - p_eff); /* p_eff == rank */
*chisq = r2;
/* Form variance-covariance matrix cov = s2 * (Q S^-1) (Q S^-1)^T */
for (i = 0; i < p; i++)
{
gsl_vector_view row_i = gsl_matrix_row (QSI, i);
double d_i = gsl_vector_get (D, i);
for (j = i; j < p; j++)
{
gsl_vector_view row_j = gsl_matrix_row (QSI, j);
double d_j = gsl_vector_get (D, j);
double s;
gsl_blas_ddot (&row_i.vector, &row_j.vector, &s);
gsl_matrix_set (cov, i, j, s * s2 / (d_i * d_j));
gsl_matrix_set (cov, j, i, s * s2 / (d_i * d_j));
}
}
}
return GSL_SUCCESS;
}
}
int
gsl_multifit_wlinear (const gsl_matrix * X,
const gsl_vector * w,
const gsl_vector * y,
gsl_vector * c,
gsl_matrix * cov,
double *chisq, gsl_multifit_linear_workspace * work)
{
size_t rank;
int status = gsl_multifit_wlinear_svd (X, w, y, GSL_DBL_EPSILON, &rank, c,
cov, chisq, work);
return status;
}
int
gsl_multifit_wlinear_svd (const gsl_matrix * X,
const gsl_vector * w,
const gsl_vector * y,
double tol,
size_t * rank,
gsl_vector * c,
gsl_matrix * cov,
double *chisq, gsl_multifit_linear_workspace * work)
{
if (X->size1 != y->size)
{
GSL_ERROR
("number of observations in y does not match rows of matrix X",
GSL_EBADLEN);
}
else if (X->size2 != c->size)
{
GSL_ERROR ("number of parameters c does not match columns of matrix X",
GSL_EBADLEN);
}
else if (w->size != y->size)
{
GSL_ERROR ("number of weights does not match number of observations",
GSL_EBADLEN);
}
else if (cov->size1 != cov->size2)
{
GSL_ERROR ("covariance matrix is not square", GSL_ENOTSQR);
}
else if (c->size != cov->size1)
{
GSL_ERROR
("number of parameters does not match size of covariance matrix",
GSL_EBADLEN);
}
else if (X->size1 != work->n || X->size2 != work->p)
{
GSL_ERROR
("size of workspace does not match size of observation matrix",
GSL_EBADLEN);
}
else
{
const size_t n = X->size1;
const size_t p = X->size2;
size_t i, j, p_eff;
gsl_matrix *A = work->A;
gsl_matrix *Q = work->Q;
gsl_matrix *QSI = work->QSI;
gsl_vector *S = work->S;
gsl_vector *t = work->t;
gsl_vector *xt = work->xt;
gsl_vector *D = work->D;
/* Scale X, A = sqrt(w) X */
gsl_matrix_memcpy (A, X);
for (i = 0; i < n; i++)
{
double wi = gsl_vector_get (w, i);
if (wi < 0)
wi = 0;
{
gsl_vector_view row = gsl_matrix_row (A, i);
gsl_vector_scale (&row.vector, sqrt (wi));
}
}
/* Balance the columns of the matrix A */
gsl_linalg_balance_columns (A, D);
/* Decompose A into U S Q^T */
gsl_linalg_SV_decomp_mod (A, QSI, Q, S, xt);
/* Solve sqrt(w) y = A c for c, by first computing t = sqrt(w) y */
for (i = 0; i < n; i++)
{
double wi = gsl_vector_get (w, i);
double yi = gsl_vector_get (y, i);
if (wi < 0)
wi = 0;
gsl_vector_set (t, i, sqrt (wi) * yi);
}
gsl_blas_dgemv (CblasTrans, 1.0, A, t, 0.0, xt);
/* Scale the matrix Q, Q' = Q S^-1 */
gsl_matrix_memcpy (QSI, Q);
{
double alpha0 = gsl_vector_get (S, 0);
p_eff = 0;
for (j = 0; j < p; j++)
{
gsl_vector_view column = gsl_matrix_column (QSI, j);
double alpha = gsl_vector_get (S, j);
if (alpha <= tol * alpha0) {
alpha = 0.0;
} else {
alpha = 1.0 / alpha;
p_eff++;
}
gsl_vector_scale (&column.vector, alpha);
}
*rank = p_eff;
}
gsl_vector_set_zero (c);
/* Solution */
gsl_blas_dgemv (CblasNoTrans, 1.0, QSI, xt, 0.0, c);
/* Unscale the balancing factors */
gsl_vector_div (c, D);
/* Form covariance matrix cov = (Q S^-1) (Q S^-1)^T */
for (i = 0; i < p; i++)
{
gsl_vector_view row_i = gsl_matrix_row (QSI, i);
double d_i = gsl_vector_get (D, i);
for (j = i; j < p; j++)
{
gsl_vector_view row_j = gsl_matrix_row (QSI, j);
double d_j = gsl_vector_get (D, j);
double s;
gsl_blas_ddot (&row_i.vector, &row_j.vector, &s);
gsl_matrix_set (cov, i, j, s / (d_i * d_j));
gsl_matrix_set (cov, j, i, s / (d_i * d_j));
}
}
/* Compute chisq, from residual r = y - X c */
{
double r2 = 0;
for (i = 0; i < n; i++)
{
double yi = gsl_vector_get (y, i);
double wi = gsl_vector_get (w, i);
gsl_vector_const_view row = gsl_matrix_const_row (X, i);
double y_est, ri;
gsl_blas_ddot (&row.vector, c, &y_est);
ri = yi - y_est;
r2 += wi * ri * ri;
}
*chisq = r2;
}
return GSL_SUCCESS;
}
}
int
gsl_multifit_linear_est (const gsl_vector * x,
const gsl_vector * c,
const gsl_matrix * cov, double *y, double *y_err)
{
if (x->size != c->size)
{
GSL_ERROR ("number of parameters c does not match number of observations x",
GSL_EBADLEN);
}
else if (cov->size1 != cov->size2)
{
GSL_ERROR ("covariance matrix is not square", GSL_ENOTSQR);
}
else if (c->size != cov->size1)
{
GSL_ERROR ("number of parameters c does not match size of covariance matrix cov",
GSL_EBADLEN);
}
else
{
size_t i, j;
double var = 0;
gsl_blas_ddot(x, c, y); /* y = x.c */
/* var = x' cov x */
for (i = 0; i < x->size; i++)
{
const double xi = gsl_vector_get (x, i);
var += xi * xi * gsl_matrix_get (cov, i, i);
for (j = 0; j < i; j++)
{
const double xj = gsl_vector_get (x, j);
var += 2 * xi * xj * gsl_matrix_get (cov, i, j);
}
}
*y_err = sqrt (var);
return GSL_SUCCESS;
}
}