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Beyn algorithm "cherry-pick" from 'newbeyn_unitcell' 

- Add rank_min_sel argument to beyn_solve() and beyn_solve_gsl()
- Fix order of K and K_coarse evaluation (K_coarse should probably
  be removed).


Former-commit-id: 8d2be922f8aa62754d10928f53fa6ab68f00dc8e
This commit is contained in:
Marek Nečada 2020-01-21 15:29:39 +02:00
parent d557a99a49
commit 68812c9555
3 changed files with 17 additions and 15 deletions
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22
qpms/beyn.c
View File

@ -345,7 +345,7 @@ void BeynSolver_srandom(BeynSolver *solver, unsigned int RandSeed)
static int beyn_process_matrices(BeynSolver *solver, beyn_function_M_gsl_t M_function, static int beyn_process_matrices(BeynSolver *solver, beyn_function_M_gsl_t M_function,
void *Params, void *Params,
gsl_matrix_complex *A0, gsl_matrix_complex *A1, double complex z0, gsl_matrix_complex *A0, gsl_matrix_complex *A1, double complex z0,
gsl_vector_complex *eigenvalues, gsl_matrix_complex *eigenvectors, const double rank_tol, const double res_tol) gsl_vector_complex *eigenvalues, gsl_matrix_complex *eigenvectors, const double rank_tol, size_t rank_sel_min, const double res_tol)
{ {
const size_t m = solver->M; const size_t m = solver->M;
const size_t l = solver->L; const size_t l = solver->L;
@ -379,7 +379,7 @@ static int beyn_process_matrices(BeynSolver *solver, beyn_function_M_gsl_t M_fun
int K=0; int K=0;
for (int k=0; k<Sigma->size /* this is l, actually */; k++) { for (int k=0; k<Sigma->size /* this is l, actually */; k++) {
if (verbose) printf("Beyn: SV(%d)=%e\n",k,gsl_vector_get(Sigma, k)); if (verbose) printf("Beyn: SV(%d)=%e\n",k,gsl_vector_get(Sigma, k));
if (gsl_vector_get(Sigma, k) > rank_tol) if (k < rank_sel_min || gsl_vector_get(Sigma, k) > rank_tol)
K++; K++;
} }
if (verbose)printf(" Beyn: %d/%zd relevant singular values\n",K,l); if (verbose)printf(" Beyn: %d/%zd relevant singular values\n",K,l);
@ -494,7 +494,7 @@ static int beyn_process_matrices(BeynSolver *solver, beyn_function_M_gsl_t M_fun
gsl_vector_complex_set(eigenvalues, KRetained, zgsl); gsl_vector_complex_set(eigenvalues, KRetained, zgsl);
if(eigenvectors) { if(eigenvectors) {
gsl_matrix_complex_set_col(eigenvectors, KRetained, &(Vk.vector)); gsl_matrix_complex_set_row(eigenvectors, KRetained, &(Vk.vector));
gsl_vector_set(solver->residuals, KRetained, residual); gsl_vector_set(solver->residuals, KRetained, residual);
} }
++KRetained; ++KRetained;
@ -513,7 +513,7 @@ static int beyn_process_matrices(BeynSolver *solver, beyn_function_M_gsl_t M_fun
beyn_result_gsl_t *beyn_solve_gsl(const size_t m, const size_t l, beyn_result_gsl_t *beyn_solve_gsl(const size_t m, const size_t l,
beyn_function_M_gsl_t M_function, beyn_function_M_inv_Vhat_gsl_t M_inv_Vhat_function, beyn_function_M_gsl_t M_function, beyn_function_M_inv_Vhat_gsl_t M_inv_Vhat_function,
void *params, const beyn_contour_t *contour, void *params, const beyn_contour_t *contour,
double rank_tol, double res_tol) double rank_tol, size_t rank_sel_min, double res_tol)
{ {
BeynSolver *solver = BeynSolver_create(m, l); BeynSolver *solver = BeynSolver_create(m, l);
@ -583,14 +583,14 @@ beyn_result_gsl_t *beyn_solve_gsl(const size_t m, const size_t l,
gsl_vector_complex *eigenvalue_errors = solver->eigenvalue_errors; gsl_vector_complex *eigenvalue_errors = solver->eigenvalue_errors;
gsl_matrix_complex *eigenvectors = solver->eigenvectors; gsl_matrix_complex *eigenvectors = solver->eigenvectors;
// Beyn Steps 3–6
int K = beyn_process_matrices(solver, M_function, params, A0, A1, z0, eigenvalues, eigenvectors, rank_tol, res_tol);
// Repeat Steps 3–6 with rougher contour approximation to get an error estimate. // Repeat Steps 3–6 with rougher contour approximation to get an error estimate.
int K_coarse = beyn_process_matrices(solver, M_function, params, A0_coarse, A1_coarse, z0, eigenvalue_errors, eigenvectors, rank_tol, res_tol); int K_coarse = beyn_process_matrices(solver, M_function, params, A0_coarse, A1_coarse, z0, eigenvalue_errors, /*eigenvectors_coarse*/ NULL, rank_tol, rank_sel_min, res_tol);
gsl_blas_zaxpy(gsl_complex_rect(-1,0), eigenvalues, eigenvalue_errors);
// Reid did also fabs on the complex and real parts ^^^. // Reid did also fabs on the complex and real parts ^^^.
// Beyn Steps 3–6
int K = beyn_process_matrices(solver, M_function, params, A0, A1, z0, eigenvalues, eigenvectors, rank_tol, rank_sel_min, res_tol);
gsl_blas_zaxpy(gsl_complex_rect(-1,0), eigenvalues, eigenvalue_errors);
beyn_result_gsl_t *result; beyn_result_gsl_t *result;
QPMS_CRASHING_MALLOC(result, sizeof(beyn_result_gsl_t)); QPMS_CRASHING_MALLOC(result, sizeof(beyn_result_gsl_t));
result->eigval = solver->eigenvalues; result->eigval = solver->eigenvalues;
@ -636,12 +636,12 @@ static int beyn_function_M_inv_Vhat_carr2gsl(gsl_matrix_complex *target,
} }
beyn_result_t *beyn_solve(size_t m, size_t l, beyn_function_M_t M, beyn_function_M_inv_Vhat_t M_inv_Vhat, beyn_result_t *beyn_solve(size_t m, size_t l, beyn_function_M_t M, beyn_function_M_inv_Vhat_t M_inv_Vhat,
void *params, const beyn_contour_t *contour, double rank_tol, double res_tol) { void *params, const beyn_contour_t *contour, double rank_tol, size_t rank_sel_min, double res_tol) {
struct beyn_function_M_carr2gsl_param p = {M, M_inv_Vhat, params}; struct beyn_function_M_carr2gsl_param p = {M, M_inv_Vhat, params};
return beyn_result_from_beyn_result_gsl( return beyn_result_from_beyn_result_gsl(
beyn_solve_gsl(m, l, beyn_function_M_carr2gsl, beyn_solve_gsl(m, l, beyn_function_M_carr2gsl,
(p.M_inv_Vhat_function) ? beyn_function_M_inv_Vhat_carr2gsl : NULL, (p.M_inv_Vhat_function) ? beyn_function_M_inv_Vhat_carr2gsl : NULL,
(void *) &p, contour, rank_tol, res_tol) (void *) &p, contour, rank_tol, rank_sel_min, res_tol)
); );
} }

6
qpms/beyn.h
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@ -72,7 +72,7 @@ typedef struct beyn_result_gsl_t {
gsl_vector_complex *eigval; gsl_vector_complex *eigval;
gsl_vector_complex *eigval_err; gsl_vector_complex *eigval_err;
gsl_vector *residuals; gsl_vector *residuals;
gsl_matrix_complex *eigvec; gsl_matrix_complex *eigvec; // Rows are the eigenvectors
gsl_vector *ranktest_SV; gsl_vector *ranktest_SV;
} beyn_result_gsl_t; } beyn_result_gsl_t;
@ -85,7 +85,7 @@ typedef struct beyn_result_t {
complex double *eigval; complex double *eigval;
complex double *eigval_err; complex double *eigval_err;
double *residuals; double *residuals;
complex double *eigvec; complex double *eigvec; // Rows are the eigenvectors
double *ranktest_SV; double *ranktest_SV;
/// Private, we wrap it around beyn_result_gsl_t for now. /// Private, we wrap it around beyn_result_gsl_t for now.
@ -109,6 +109,7 @@ beyn_result_gsl_t *beyn_solve_gsl(
void *params, ///< Parameter pointer passed to M() and M_inv_Vhat(). void *params, ///< Parameter pointer passed to M() and M_inv_Vhat().
const beyn_contour_t *contour, ///< Integration contour. const beyn_contour_t *contour, ///< Integration contour.
double rank_tol, ///< (default: `1e-4`) TODO DOC. double rank_tol, ///< (default: `1e-4`) TODO DOC.
size_t rank_min_sel, ///< Minimum number of eigenvalue candidates, even if they don't pass \a rank_tol.
double res_tol ///< (default: `0.0`) TODO DOC. double res_tol ///< (default: `0.0`) TODO DOC.
); );
@ -120,6 +121,7 @@ beyn_result_t *beyn_solve(
void *params, ///< Parameter pointer passed to M() and M_inv_Vhat(). void *params, ///< Parameter pointer passed to M() and M_inv_Vhat().
const beyn_contour_t *contour, ///< Integration contour. const beyn_contour_t *contour, ///< Integration contour.
double rank_tol, ///< (default: `1e-4`) TODO DOC. double rank_tol, ///< (default: `1e-4`) TODO DOC.
size_t rank_min_sel, ///< Minimum number of eigenvalue candidates, even if they don't pass \a rank_tol.
double res_tol ///< (default: `0.0`) TODO DOC. double res_tol ///< (default: `0.0`) TODO DOC.
); );

4
qpms/qpms_cdefs.pxd
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@ -674,11 +674,11 @@ cdef extern from "beyn.h":
beyn_result_gsl_t *beyn_solve_gsl(size_t m, size_t l, beyn_function_M_gsl_t M, beyn_result_gsl_t *beyn_solve_gsl(size_t m, size_t l, beyn_function_M_gsl_t M,
beyn_function_M_inv_Vhat_gsl_t M_inv_Vhat, void *params, const beyn_contour_t *contour, beyn_function_M_inv_Vhat_gsl_t M_inv_Vhat, void *params, const beyn_contour_t *contour,
double rank_tol, double res_tol) double rank_tol, size_t rank_min_sel, double res_tol)
beyn_result_t *beyn_solve(size_t m, size_t l, beyn_function_M_t M, beyn_result_t *beyn_solve(size_t m, size_t l, beyn_function_M_t M,
beyn_function_M_inv_Vhat_t M_inv_Vhat, void *params, const beyn_contour_t *contour, beyn_function_M_inv_Vhat_t M_inv_Vhat, void *params, const beyn_contour_t *contour,
double rank_tol, double res_tol) double rank_tol, size_t rank_min_sel, double res_tol)
beyn_contour_t *beyn_contour_ellipse(cdouble centre, double halfax_re, double halfax_im, size_t npoints) beyn_contour_t *beyn_contour_ellipse(cdouble centre, double halfax_re, double halfax_im, size_t npoints)
beyn_contour_t *beyn_contour_halfellipse(cdouble centre, double halfax_re, double halfax_im, size_t npoints, beyn_contour_t *beyn_contour_halfellipse(cdouble centre, double halfax_re, double halfax_im, size_t npoints,