SUBROUTINE PDA_LSQR ( M, N, APROD, DAMP, LENIW, LENRW, IW, RW,
: U, V, W, X, SE, ATOL, BTOL, CONLIM, ITNLIM,
: ISTOP, ITN, ANORM, ACOND, RNORM, ARNORM,
: XNORM )
INTEGER M, N, LENIW, LENRW, ITNLIM, ISTOP, ITN
DOUBLE PRECISION RW(LENRW), U(M), V(N), W(N), X(N), SE(N),
: ATOL, BTOL, CONLIM, DAMP,
: ANORM, ACOND, RNORM, ARNORM, XNORM
PDA_LSQR finds a solution x to the following problems:
1. Unsymmetric equations -- solve A*x = b
2. Linear least squares -- solve A*x = b
in the least-squares sense
3. Damped least squares -- solve ( A )*x = ( b )
( damp*I ) ( 0 )
in the least-squares sense
where A is a matrix with m rows and n columns, b is an
m-vector, and damp is a scalar. (All quantities are real.)
The matrix A is intended to be large and sparse. It is accessed
by means of subroutine calls of the form
CALL APROD ( mode, m, n, x, y, LENIW, LENRW, IW, RW )
which must perform the following functions:
If MODE = 1, compute y = y + A*x.
If MODE = 2, compute x = x + A(transpose)*y.
The vectors x and y are input parameters in both cases.
If mode = 1, y should be altered without changing x.
If mode = 2, x should be altered without changing y.
The parameters LENIW, LENRW, IW, RW may be used for workspace
as described below.
The rhs vector b is input via U, and subsequently overwritten.
Note: PDA_LSQR uses an iterative method to approximate the solution.
The number of iterations required to reach a certain accuracy
depends strongly on the scaling of the problem. Poor scaling of
the rows or columns of A should therefore be avoided where
For example, in problem 1 the solution is unaltered by
row-scaling. If a row of A is very small or large compared to
the other rows of A, the corresponding row of ( A b ) should be
scaled up or down.
In problems 1 and 2, the solution x is easily recovered
following column-scaling. Unless better information is known,
the nonzero columns of A should be scaled so that they all have
the same Euclidean norm (e.g., 1.0).
In problem 3, there is no freedom to re-scale if damp is
nonzero. However, the value of damp should be assigned only
after attention has been paid to the scaling of A.
The parameter damp is intended to help regularize
ill-conditioned systems, by preventing the true solution from
being very large. Another aid to regularization is provided by
the parameter ACOND, which may be used to terminate iterations
before the computed solution becomes very large.
The following quantities are used in discussing the subroutine
Abar = ( A ), bbar = ( b )
( damp*I ) ( 0 )
r = b - A*x, rbar = bbar - Abar*x
rnorm = sqrt( norm(r)**2 + damp**2 * norm(x)**2 )
= norm( rbar )
RELPR = the relative precision of floating-point arithmetic
on the machine being used. For example, on the IBM 370,
RELPR is about 1.0E-6 and 1.0D-16 in single and double
PDA_LSQR minimizes the function rnorm with respect to x.
M input m, the number of rows in A.
N input n, the number of columns in A.
APROD external See above.
DAMP input The damping parameter for problem 3 above.
(DAMP should be 0.0 for problems 1 and 2.)
If the system A*x = b is incompatible, values
of DAMP in the range 0 to sqrt(RELPR)*norm(A)
will probably have a negligible effect.
Larger values of DAMP will tend to decrease
the norm of x and reduce the number of
iterations required by PDA_LSQR.
The work per iteration and the storage needed
by PDA_LSQR are the same for all values of DAMP.
LENIW input The length of the workspace array IW.
LENRW input The length of the workspace array RW.
IW workspace An integer array of length LENIW.
RW workspace A real array of length LENRW.
Note: PDA_LSQR does not explicitly use the previous four
parameters, but passes them to subroutine APROD for
possible use as workspace. If APROD does not need
IW or RW, the values LENIW = 1 or LENRW = 1 should
be used, and the actual parameters corresponding to
IW or RW may be any convenient array of suitable type.
U(M) input The rhs vector b. Beware that U is
over-written by PDA_LSQR.
X(N) output Returns the computed solution x.
SE(N) output Returns standard error estimates for the
components of X. For each i, SE(i) is set
to the value rnorm * sqrt( sigma(i,i) / T ),
where sigma(i,i) is an estimate of the i-th
diagonal of the inverse of Abar(transpose)*Abar
and T = 1 if m .le. n,
T = m - n if m .gt. n and damp = 0,
T = m if damp .ne. 0.
ATOL input An estimate of the relative error in the data
defining the matrix A. For example,
if A is accurate to about 6 digits, set
ATOL = 1.0E-6 .
BTOL input An estimate of the relative error in the data
defining the rhs vector b. For example,
if b is accurate to about 6 digits, set
BTOL = 1.0E-6 .
CONLIM input An upper limit on cond(Abar), the apparent
condition number of the matrix Abar.
Iterations will be terminated if a computed
estimate of cond(Abar) exceeds CONLIM.
This is intended to prevent certain small or
zero singular values of A or Abar from
coming into effect and causing unwanted growth
in the computed solution.
CONLIM and DAMP may be used separately or
together to regularize ill-conditioned systems.
Normally, CONLIM should be in the range
1000 to 1/RELPR.
CONLIM = 1/(100*RELPR) for compatible systems,
CONLIM = 1/(10*sqrt(RELPR)) for least squares.
Note: If the user is not concerned about the parameters
ATOL, BTOL and CONLIM, any or all of them may be set
to zero. The effect will be the same as the values
RELPR, RELPR and 1/RELPR respectively.
ITNLIM input An upper limit on the number of iterations.
ITNLIM = n/2 for well-conditioned systems
with clustered singular values,
ITNLIM = 4*n otherwise.
ISTOP output An integer giving the reason for termination:
0 x = 0 is the exact solution.
No iterations were performed.
1 The equations A*x = b are probably
compatible. Norm(A*x - b) is sufficiently
small, given the values of ATOL and BTOL.
2 The system A*x = b is probably not
compatible. A least-squares solution has
been obtained that is sufficiently accurate,
given the value of ATOL.
3 An estimate of cond(Abar) has exceeded
CONLIM. The system A*x = b appears to be
ill-conditioned. Otherwise, there could be an
error in subroutine APROD.
4 The equations A*x = b are probably
compatible. Norm(A*x - b) is as small as
seems reasonable on this machine.
5 The system A*x = b is probably not
compatible. A least-squares solution has
been obtained that is as accurate as seems
reasonable on this machine.
6 Cond(Abar) seems to be so large that there is
no point in doing further iterations,
given the precision of this machine.
There could be an error in subroutine APROD.
7 The iteration limit ITNLIM was reached.
ITN output The number of iterations performed.
ANORM output An estimate of the Frobenius norm of Abar.
This is the square-root of the sum of squares
of the elements of Abar.
If DAMP is small and if the columns of A
have all been scaled to have length 1.0,
ANORM should increase to roughly sqrt(n).
A radically different value for ANORM may
indicate an error in subroutine APROD (there
may be an inconsistency between modes 1 and 2).
ACOND output An estimate of cond(Abar), the condition
number of Abar. A very high value of ACOND
may again indicate an error in APROD.
RNORM output An estimate of the final value of norm(rbar),
the function being minimized (see notation
above). This will be small if A*x = b has
ARNORM output An estimate of the final value of
norm( Abar(transpose)*rbar ), the norm of
the residual for the usual normal equations.
This should be small in all cases. (ARNORM
will often be smaller than the true value
computed from the output vector X.)
XNORM output An estimate of the norm of the final
solution vector X.
The number of iterations required by PDA_LSQR will usually decrease
if the computation is performed in higher precision. To convert
PDA_LSQR between single and double precision, change the words
DCOPY, DNRM2, DSCAL
to the appropriate FORTRAN and BLAS equivalents.
Also change ’D+’ or ’E+’ in the PARAMETER statement.
C.C. Paige and M.A. Saunders, LSQR: An algorithm for sparse
linear equations and sparse least squares,
ACM Transactions on Mathematical Software 8, 1 (March 1982),
C.C. Paige and M.A. Saunders, Algorithm 583, LSQR: Sparse
linear equations and least-squares problems,
ACM Transactions on Mathematical Software 8, 2 (June 1982),
C.L. Lawson, R.J. Hanson, D.R. Kincaid and F.T. Krogh,
Basic linear algebra subprograms for Fortran usage,
ACM Transactions on Mathematical Software 5, 3 (Sept 1979),
pp. 308-323 and 324-325.
22 Feb 1982: LSQR sent to ACM TOMS to become Algorithm 583.
15 Sep 1985: Final F66 version. LSQR sent to "misc" in netlib.
13 Oct 1987: Bug (Robert Davies, DSIR). Have to delete
IF ( (ONE + DABS(T)) .LE. ONE ) GO TO 200
from loop 200. The test was an attempt to reduce
underflows, but caused W(I) not to be updated.
17 Mar 1989: First F77 version.
04 May 1989: Bug (David Gay, AT&T). When the second BETA is zero,
RNORM = 0 and
TEST2 = ARNORM / (ANORM * RNORM) overflows.
Fixed by testing for RNORM = 0.
05 May 1989: Sent to "misc" in netlib.
Michael A. Saunders (na.saunders @ NA-net.stanford.edu)
Department of Operations Research
Stanford, CA 94305-4022.
19 Sep 1996: Peter W. Draper. Removed NOUT argument and renamed
PDA_LSQR. PDA routines may not write output.