Solving Large Sparse Nonlinear Systems
Solving Large Sparse Nonlinear Systems
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Printed in Great Britain. Pergamon Press Ltd.
Abstract-An approach toward solving large sparse nonlinear equation systems using a
modified Powell’s dogleg method is described. Schubert’s update is used either to update the
Jacobian, or to update the U factor of the Jacobian while holding the L factor constant. This
use of Schubert’s update differs from others since it is used in connection with a dogleg method
rather than the usual quasi-Newton method. Results on a set of standard test problems
indicate that this leads to an efficient and reliable method for sparse nonlinear problems.
Scope-There are many applications in which a large sparse system of nonlinear equations
must be solved. Some relevant applications in chemical engineering include the numerical
solution of partial differential equations by the finite difference approach, the simulation of
multi-stage separation processes by linearization [ 11,and process flowsheeting by the equation-
based approach [2]. This work has been motivated primarily by applications of the last two
types.
As discussed in more detail by Stadtherr & Hilton [2], a conimon concern in equation-based
process flowsheeting is supplying an initial guess good enough to assure convergence to the
solution. One way to ease such concerns is to use a sparse nonlinear equation solver that is
both efficient and has excellent global convergence properties. The work described here
represents progress toward this goal.
For full matrix problems, there have been several techniques [3-91 proposed to promote
convergence from a poor initial guess. All except Powell’s hybrid, or dogleg, method [9] are
variqtions of the continuation method and require the solution of a series of subproblems, even
in the case of a good initial guess. Powell’s method combines the good global convergence
properties of the steepest descent methods and the good local convergence properties of
Broyden’s quasi-Newton method [lo]. The result is a reliable and efficient method that has
proven quite successful [1 I].
Recently Chen & Stadtherr [12] described a modification of Powell’s method that makes
it even more efficient and reliable. In this paper we describe extensions of this modified Powell’s
method to the case in which a large sparse. problem must be solved. Of particular interest is
the method used to update the Jacobian. Can Schubert’s update, which has proven somewhat
unreliable when used in connection with a quasi-Newton method [13, 141, be used more
successfully in connection with a dogleg approach?
Conclusions and Sigticanc~The modified Powell’s dogleg method described by Chen &
Stadtherr [12] for full matrix problems can be effectively extended to sparse problems using
Schubert’s update either to update the Jacobian or to update the U factor of the Jacobian.
This indicates that while Schubert’s update may be unreliable when used as part of a
quasi-Newton solution method, as indicated by the results of Perkins & Sargent [13] and Mah
& Lin [14], it. can be used much more successfully in connection with the modified Powell’s
method. This is possible because the modified Powell’s method, a combination of ideas from
the quasi-Newton approach and the steepest descent approach, is much more reliable than the
quasi-Newton approach alone. Since the modified Powell’s method is efficient and has very
good global convergence properties, its application in connection with equation-based process
flowsheeting seems particularly attractive.
exploit the structure of process flowsheeting matrices. During LU factorization the approximate Jacobian
They first construct a block-occurrence matrix and and its U factor must be saved; (iii) The convergence
apply a P4-type reordering algorithm (SPKZ) to reor- of Schubert’s update is q-superlinear [30]. The follow-
der the block matrix. Then a simple reordering algo- ing two approaches avoid the drawback that an LU
rithm (SPKl) is applied to reorder the individual factorization is needed at every iteration.
equations and variables, while restricting the spike 2. In this case, Broyden’s update is used to update
selection to avoid destroying the block reordering the Jacobian, but in order to maintain sparsity the
originally identified. This algorithm (BLOKS) was rank one updates used are stored separately, as
found to be very efficient and to give consistently good suggested by Gallun & Holland [31]. Some character-
reorderings for flowsheeting problems. istics of this approach are: (i) An LU factorization is
In a related study [25] Stadtherr & Wood also only performed when a new Jacobian is calculated;
compared some algorithms for performing the actual (ii) During LU factorization both the L and U factors
elimination. A modified version of the NSPIV pro- of the Jacobian must be saved, (iii) Two extra vectors
gram [29], LUlSOL, was found to be among the of length n are needed each time the Jacobian is
most effective codes. It should be noted that the updated; (iv) The number of arithmetic operations
version of LUlSOL used in [25] did not attempt to required to obtain the correction step will increase
exploit the presence of irreducible blocks in the with the number of rank one updates stored; (v) The
matrix and thus failed to solve some of the larger test convergence of Broyden’s update is q-superlinear
problems due to storage limitations. An updated 1321.
version of LUlSOL does exploit this type of struc- 3. In this case, Schubert’s update is used on the U
ture, limiting fill-in to within the irreducible blocks, factor of the Jacobian while keeping the L factor
and thus in general permitting the solution of larger fixed, as suggested by Dennis & Marwil [33]. Some
problems. In NSPIV partial pivoting is used to characteristics of this approach are: (i) An LU fac-
maintain numerical stability. However, it does not torization is only performed when a new Jacobian is
take advantage of the a priori reordering scheme calculated; (ii). Both L and U factors of the Jacobian
used. In LUlSOL we change the pivoting strategy must be saved; (iii) The storage and arithmetic oper-
from partial pivoting to threshold pivoting to take ations will not be affected by the number of Jacobian
advantage of the a priori reordering. The per- updates, unlike the previous case; (iv) The con-
formance of the two-pass codes NSPIV and LUl- vergence of this update is also q-superlinear [33].
SOL, using the BLOKS reordering algorithm, as well We have employed both the first and third ap-
as the one-pass code MA28, on some process proaches discussed above. The performance of these
flowsheeting matrices is shown in Table 1. The results two approaches is compared below.
here are taken from Stadtherr & Wood [25] except for Before proceeding to some numerical results, we
the last run, which uses the update of LUlSOL summarize the actions taken to extend our modified
discussed above. It is clear from this table that we can Powell’s method to the solution of large sparse
solve fairly large systems of linear equations with problems.
reasonable CPU time. And since the largest problem 1. The finite difference approximation scheme of
can be solved with LUlSOL in roughly 100,000 Curtis et al. is used to evaluate the Jacobian initially
words of core, storage requirements are also reason- and whenever required subsequently.
able. As a final note we add that if the structure of 2. A two-pass approach is used to perform the LU
the L and U factors is saved when performing the first factorization required. For flowsheeting problems we
factorization of the Jacobian, then this information recommend the algorithm BLOKS [24] for the reor-
can be used to reduce the solution time required for dering phase.
subsequent factorizations of Jacobians with the same 3. Schubert’s update is used either to update the
structure. For instance, subsequent factorizations of Jacobian or its U factor.
the 4633 equations problem require only 2.013 set
with LUISOL.
NUMERICAL RESULTS
Updating the sparse Jacobian
In order to study the reliability and efficiency of the
The problem here is to maintain the sparsity of the
modified Powell’s method on sparse problems, we
Jacobian when it is updated. There are at least three
have used a number of relatively small test problems,
approaches for solving this problem:
and apply three versions of the method, differing in
1. Use Schubert’s update, as described above.
how the Jacobian is updated. Perkins & Sargent [13]
Some characteristics of this approach are: (i) An LU
have applied two versions of the NR method and
factorization must be performed at each iteration; (ii)
three versions of the quasi-Newton method using
Schubert’s update to these same problems. Thus we
Table 1. Solution times for some sparse nonlinear equation
can compare the reliability of these approaches to the
solvers on process flowsheeting problems. N is the number modified Powell’s method. We also make comparisons
of variables; NZ is the number of nonzero elements. Failures based on the efficiency and reliability of the different
were due to instieient core storage. Except for the largest methods used to update the Jacobian in the modified
problem, data is taken from Stadtherr & Wood [25] Powell’s method.
SIZE SOLUTION TIME (SEC1
MA28 NSPIV LUISOL Test problems
3Y2 I.633 0.548 6.384
584 3963 I.187 1.698 0.509
Five standard test problems, commonly used in
I@68 6254 3.700 0.775 0 546 comparisons of nonlinear equation solvers, are con-
1564 9369 6.002 1.445 0 981 sidered:
4633 33443 FAIL FAIL 4 681 1. Discrete boundary value problem.
On solving large sparse nonlinear equation systems 5
Table 2. Number of failures on test problem set. Data for methods l-5 are taken from Perkins & Sargent
[13], adjusted as explained in the text
S.P.: X 8 0 3 3 3 6 @ 0
10x 8 0 6 6 6 6 0 0
IBOX B 0 6 9 6 6 8 B
OVERALL: 0 0 15 18 15 18 8 0
6 H.-S. CH~J and M. A. STADTHERR
Table 3. Efficiency of different approaches for updating the Jacobian in the modified Powell’smethod.
Results are given in terms of number of iterations followed by number of Jacobian evaluations
N: ______58 __-__- ____-_,a8 __-_- ______200_____
HETHOD:6 7 8 6 7 8 6 7 *
PRGSLEH: S.P.:
5 I0E FAIL 38/2 53/4 FAIL 38/2 61,s FAIL 39/2 62,s
FAIL 4212 7216 FAIL 43/2 74,6 FAIL 4412 78/6
lE0X FAIL 47/2 74/S FAIL 48/2 78/6 FAIL 4912 7616
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