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Millepede-II V04-17-04
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Millepede-II V04-17-04
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MINRESQLP solves symmetric systems Ax = b or min ||Ax - b||_2, where the matrix A may be indefinite and/or singular. More...
Functions/Subroutines | |
| subroutine, public | minresqlp (n, Aprod, b, shift, Msolve, disable, nout, itnlim, rtol, maxxnorm, trancond, Acondlim, x, istop, itn, rnorm, Arnorm, xnorm, Anorm, Acond) |
| Solution of linear equation system or least squares problem. More... | |
| subroutine, public | symortho (a, b, c, s, r) |
| SymOrtho: Stable Householder reflection. More... | |
MINRESQLP solves symmetric systems Ax = b or min ||Ax - b||_2, where the matrix A may be indefinite and/or singular.
"A" is really (A - shift*I), where shift is an input real scalar.
09 Sep 2013: Version 27
-------------------------------------------------------------------
The software for MINRES-QLP is provided by SOL, Stanford University
under the terms of the OSI Common Public License (CPL)
http://www.opensource.org/licenses/cpl1.0.php
or the BSD License
http://www.opensource.org/licenses/bsd-license.php
-------------------------------------------------------------------
Authors:
Sou-Cheng Choi <sctchoi@uchicago.edu>
Computation Institute (CI)
University of Chicago
Chicago, IL 60637, USA
Michael Saunders <saunders@stanford.edu>
Systems Optimization Laboratory (SOL)
Stanford University
Stanford, CA 94305-4026, USA
Contributor:
Christopher Paige <paige@cs.mcgill.ca>
See also: Makefile | subroutine, public minresqlpmodule::minresqlp | ( | integer(ip), intent(in) | n, |
| Aprod, | |||
| real(dp), dimension(n), intent(in) | b, | ||
| real(dp), intent(in), optional | shift, | ||
| optional | Msolve, | ||
| logical, intent(in), optional | disable, | ||
| integer(ip), intent(in), optional | nout, | ||
| integer(ip), intent(in), optional | itnlim, | ||
| real(dp), intent(in), optional | rtol, | ||
| real(dp), intent(in), optional | maxxnorm, | ||
| real(dp), intent(in), optional | trancond, | ||
| real(dp), intent(in), optional | Acondlim, | ||
| real(dp), dimension(n), intent(out) | x, | ||
| integer(ip), intent(out), optional | istop, | ||
| integer(ip), intent(out), optional | itn, | ||
| real(dp), intent(out), optional | rnorm, | ||
| real(dp), intent(out), optional | Arnorm, | ||
| real(dp), intent(out), optional | xnorm, | ||
| real(dp), intent(out), optional | Anorm, | ||
| real(dp), intent(out), optional | Acond | ||
| ) |
Solution of linear equation system or least squares problem.
------------------------------------------------------------------
MINRESQLP is designed to solve the system of linear equations
Ax = b
or the least-squares problem
min || Ax - b ||_2,
where A is an n by n symmetric matrix and b is a given vector.
The matrix A may be indefinite and/or singular.
1. If A is known to be positive definite, the Conjugate Gradient
Method might be preferred, since it requires roughly the same
number of iterations as MINRESQLP but less work per iteration.
But if a low-accuracy solution is adequate, MINRESQLP will
terminate sooner.
2. If A is indefinite but Ax = b is known to have a solution
(e.g. if A is nonsingular), SYMMLQ might be preferred,
since it requires roughly the same number of iterations as
MINRESQLP but slightly less work per iteration.
3. If A is indefinite and well-conditioned, and Ax = b has a
solution, i.e., it is not a least-squares problem, MINRES might
be preferred as it requires the same number of iterations as
MINRESQLP but slightly less work per iteration.
The matrix A is intended to be large and sparse. It is accessed
by means of a subroutine call of the form
call Aprod ( n, x, y )
which must return the product y = Ax for any given vector x.
More generally, MINRESQLP is designed to solve the system
(A - shift*I) x = b
or
min || (A - shift*I) x - b ||_2,
where shift is a specified real scalar. Again, the matrix
(A - shift*I) may be indefinite and/or singular.
The work per iteration is very slightly less if shift = 0.
Note: If shift is an approximate eigenvalue of A
and b is an approximate eigenvector, x might prove to be
a better approximate eigenvector, as in the methods of
inverse iteration and/or Rayleigh-quotient iteration.
However, we are not yet sure on that -- it may be better
to use SYMMLQ.
In this documentation, ' denotes the transpose of
a vector or a matrix.
A further option is that of preconditioning, which may reduce
the number of iterations required. If M = C C' is a positive
definite matrix that is known to approximate (A - shift*I)
in some sense, and if systems of the form My = x can be
solved efficiently, the parameter Msolve may be used (see below).
When an external procedure Msolve is supplied, MINRESQLP will
implicitly solve the system of equations
P (A - shift*I) P' xbar = P b,
i.e. Abar xbar = bbar
where P = C**(-1),
Abar = P (A - shift*I) P',
bbar = P b,
and return the solution x = P' xbar.
The associated residual is rbar = bbar - Abar xbar
= P (b - (A - shift*I)x)
= P r.
In the discussion below, eps refers to the machine precision.
eps is computed by MINRESQLP. A typical value is eps = 2.22d-16
for IEEE double-precision arithmetic.
Parameters
----------
Some inputs are optional, with default values described below.
Mandatory inputs are n, Aprod, and b.
All outputs other than x are optional.
n input The dimension of the matrix or operator A.
b(n) input The rhs vector b.
x(n) output Returns the computed solution x.
Aprod external A subroutine defining the matrix A.
For a given vector x, the statement
call Aprod ( n, x, y )
must return the product y = Ax
without altering the vector x.
An extra call of Aprod is
used to check if A is symmetric.
Msolve external An optional subroutine defining a
preconditioning matrix M, which should
approximate (A - shift*I) in some sense.
M must be positive definite.
For a given vector x, the statement
call Msolve( n, x, y )
must solve the linear system My = x
without altering the vector x.
In general, M should be chosen so that Abar has
clustered eigenvalues. For example,
if A is positive definite, Abar would ideally
be close to a multiple of I.
If A or A - shift*I is indefinite, Abar might
be close to a multiple of diag( I -I ).
shift input Should be zero if the system Ax = b is to be
solved. Otherwise, it could be an
approximation to an eigenvalue of A, such as
the Rayleigh quotient b'Ab / (b'b)
corresponding to the vector b.
If b is sufficiently like an eigenvector
corresponding to an eigenvalue near shift,
then the computed x may have very large
components. When normalized, x may be
closer to an eigenvector than b. Default to 0.
nout input A file number. The calling program must open a file
for output using for example:
open(nout, file='MINRESQLP.txt', status='unknown')
If nout > 0, a summary of the iterations
will be printed on unit nout. If nout is absent or
the file associated with nout is not opened properly,
results will be written to 'MINRESQLP_tmp.txt'.
(Avoid 0, 5, 6 because by convention stderr=0,
stdin=5, stdout=6.)
itnlim input An upper limit on the number of iterations. Default to 4n.
rtol input A user-specified tolerance. MINRESQLP terminates
if it appears that norm(rbar) is smaller than
rtol*[norm(Abar)*norm(xbar) + norm(b)],
where rbar = bbar - Abar xbar,
or that norm(Abar*rbar) is smaller than
rtol*norm(Abar)*norm(rbar).
If shift = 0 and Msolve is absent, MINRESQLP
terminates if norm(r) is smaller than
rtol*[norm(A)*norm(x) + norm(b)],
where r = b - Ax,
or if norm(A*r) is smaller than
rtol*norm(A)*norm(r).
Default to machine precision.
istop output An integer giving the reason for termination...
0 Initial value of istop.
1 beta_{k+1} < eps.
Iteration k is the final Lanczos step.
2 beta2 = 0 in the Lanczos iteration; i.e. the
second Lanczos vector is zero. This means the
rhs is very special.
If there is no preconditioner, b is an
eigenvector of Abar. Also, x = (1/alpha1) b
is a solution of Abar x = b.
Otherwise (if Msolve is present), let My = b.
If shift is zero, y is a solution of the
generalized eigenvalue problem Ay = lambda My,
with lambda = alpha1 from the Lanczos vectors.
In general, (A - shift*I)x = b
has the solution x = (1/alpha1) y
where My = b.
3 b = 0, so the exact solution is x = 0.
No iterations were performed.
4 Norm(rbar) appears to be less than
the value rtol * [ norm(Abar) * norm(xbar) + norm(b) ].
The solution in x should be an acceptable
solution of Abar x = b.
5 Norm(rbar) appears to be less than
the value eps * norm(Abar) * norm(xbar).
This means that the solution is as accurate as
seems reasonable on this machine.
6 Norm(Abar rbar) appears to be less than
the value rtol * norm(Abar) * norm(rbar).
The solution in x should be an acceptable
least-squares solution.
7 Norm(Abar rbar) appears to be less than
the value eps * norm(Abar) * norm(rbar).
This means that the least-squares solution is as
accurate as seems reasonable on this machine.
8 The iteration limit was reached before convergence.
9 The matrix defined by Aprod does not appear
to be symmetric.
For certain vectors y = Av and r = Ay, the
products y'y and r'v differ significantly.
10 The matrix defined by Msolve does not appear
to be symmetric.
For vectors satisfying My = v and Mr = y, the
products y'y and r'v differ significantly.
11 An inner product of the form x' M**(-1) x
was not positive, so the preconditioning matrix
M does not appear to be positive definite.
12 xnorm has exceeded maxxnorm or will exceed it
next iteration.
13 Acond (see below) has exceeded Acondlim or 0.1/eps,
so the matrix Abar must be very ill-conditioned.
14 | gamma_k | < eps.
This is very likely a least-squares problem but
x may not contain an acceptable solution yet.
15 norm(Abar x) < rtol * norm(Abar) * norm(x).
If disable = .true., then a null vector will be
obtained, given rtol.
If istop >= 7, the final x may not be an
acceptable solution.
itn output The number of iterations performed.
Anorm output An estimate of the norm of the matrix operator
Abar = P (A - shift*I) P', where P = C**(-1).
Acond output An estimate of the condition of Abar above.
This will usually be a substantial
under-estimate of the true condition.
rnorm output An estimate of the norm of the final
transformed residual vector,
P (b - (A - shift*I) x).
xnorm output An estimate of the norm of xbar.
This is sqrt( x'Mx ). If Msolve is absent,
xnorm is an estimate of norm(x).
maxxnorm input An upper bound on norm(x). Default value is 1e7.
trancond input If trancond > 1, a switch is made from MINRES
iterations to MINRES-QLP iterations when
Acond > trancond.
If trancond = 1, all iterations are MINRES-QLP
iterations.
If trancond = Acondlim, all iterations are
conventional MINRES iterations (which are
slightly cheaper).
Default to 1e7.
Acondlim input An upper bound on Acond. Default value is 1e15.
disable input All stopping conditions are disabled except
norm(Ax) / norm(x) < tol. Default to .false..
------------------------------------------------------------------
MINRESQLP is an implementation of the algorithm described in
the following references:
Sou-Cheng Choi,
Iterative Methods for Singular Linear Equations and Least-
Squares Problems, PhD dissertation, ICME, Stanford University,
2006.
Sou-Cheng Choi, Christopher Paige, and Michael Saunders,
MINRES-QLP: A Krylov subspace method for indefinite or
singular symmetric systems, SIAM Journal of Scientific
Computing 33:4 (2011) 1810-1836.
Sou-Cheng Choi and Michael Saunders,
ALGORITHM & DOCUMENTATION: MINRES-QLP for singular Symmetric and Hermitian
linear equations and least-squares problems, Technical Report,
ANL/MCS-P3027-0812, Computation Institute,
University of Chicago/Argonne National Laboratory, 2012.
Sou-Cheng Choi and Michael Saunders,
ALGORITHM xxx: MINRES-QLP for singular Symmetric and Hermitian
linear equations and least-squares problems,
ACM Transactions on Mathematical Software, to appear, 2013.
FORTRAN 90 and MATLAB implementations are
downloadable from
http://www.stanford.edu/group/SOL/software.html
http://home.uchicago.edu/sctchoi/
------------------------------------------------------------------
MINRESQLP development:
14 Dec 2006: Sou-Cheng's thesis completed.
MINRESQLP includes a stopping rule for singular
systems (using an estimate of ||Ar||) and very many
other things(!).
Note that ||Ar|| small => r is a null vector for A.
09 Oct 2007: F90 version constructed from the F77 version.
Initially used compiler option -r8, but this is
nonstandard.
15 Oct 2007: Test on Arnorm = ||Ar|| added to recognize
singular systems.
15 Oct 2007: Temporarily used real(8) everywhere.
16 Oct 2007: Use minresqlpDataModule to define
dp = selected_real_kind(15).
We need "use minresqlpDataModule" at the
beginning of modules AND inside interfaces.
06 Jun 2010: Added comments.
12 Jul 2011: Created complex version zminresqlpModule.f90
from real version minresqlpModule.f90.
23 Aug 2011: (1) Tim Hopkins ran version 17 on the NAG Fortran compiler
We removed half a dozen unused variables in MINRESQLP
and also local var sgn_a and sgn_b in SMMORTHO,
as they result in division by zero for inputs a=b=0.
(2) Version 18 was submitted to ACM TOMS for review.
20 Aug 2012: Version 19:
(1) Added optional inputs and outputs, and
default values for optional inputs.
(2) Removed inputs 'checkA' and 'precon'.
(3) Changed slightly the order of parameters in the
MINRESQLP API.
(4) Updated documentation.
(5) Fixed a minor bug in printing x(1) in iteration
log during MINRES mode.
(6) Made sure MINRESQLP is portable in both single
and double precison.
(7) Fixed a bug to ensure the 2x2 Hermitian reflectors
are orthonormal. Make output c real.
24 Apr 2013: istop = 12 now means xnorm just exceeded maxxnorm.
28 Jun 2013: likeLS introduced to terminate with big xnorm
only if the problem seems to be singular and inconsistent.
08 Jul 2013: (1) dot_product replaces ddotc.
04 Aug 2013: If present(maxxnorm), use maxxnorm_ = min(maxxnorm, one/eps).
09 Sep 2013: Initialize relresl and relAresl to zero.
------------------------------------------------------------------
Definition at line 411 of file minresqlpModule.f90.
References minresqlpblasmodule::dnrm2(), and symortho().
Referenced by mminrsqlp(), and solgloqlp().
| subroutine, public minresqlpmodule::symortho | ( | real(dp), intent(in) | a, |
| real(dp), intent(in) | b, | ||
| real(dp), intent(out) | c, | ||
| real(dp), intent(out) | s, | ||
| real(dp), intent(out) | r | ||
| ) |
SymOrtho: Stable Householder reflection.
USAGE:
SymOrtho(a, b, c, s, r)
INPUTS:
a first element of a two-vector [a; b]
b second element of a two-vector [a; b]
OUTPUTS:
c cosine(theta), where theta is the implicit angle of reflection
s sine(theta)
r two-norm of [a; b]
DESCRIPTION:
Stable Householder reflection that gives c and s such that
[ c s ][a] = [r],
[ s -c ][b] [0]
where r = two norm of vector [a, b],
c = a / sqrt(a**2 + b**2) = a / r,
s = b / sqrt(a**2 + b**2) = b / r.
The implementation guards against overlow in computing sqrt (a**2 + b**2).
REFERENCES:
Algorithm 4.9, stable unsymmetric Givens rotations in
Golub and van Loan's book Matrix Computations, 3rd edition.
MODIFICATION HISTORY:
20/08/2012: Fixed a bug to ensure the 2x2 Hermitian reflectors
are orthonormal.
05/27/2011: Created this file from Matlab SymGivens2.m
KNOWN BUGS:
MM/DD/2004: description
AUTHORS: Sou-Cheng Choi, CI, University of Chicago
Michael Saunders, MS&E, Stanford University
CREATION DATE: 05/27/2011
Definition at line 1334 of file minresqlpModule.f90.
Referenced by minresqlp().
1.9.3