A Class of Methods For Solving Nonlinear Simultaneous Equations
A Class of Methods For Solving Nonlinear Simultaneous Equations
A Class of Methods For Solving Nonlinear Simultaneous Equations
Simultaneous Equations
By C. G. Broyden
1. Introduction. The solution of a set of nonlinear simultaneous equations is
often the final step in the solution of practical problems arising in physics and engi-
neering. These equations can be expressed as the simultaneous zeroing of a set of
functions, where the number of functions to be zeroed is equal to the number of
independent variables. If the equations form a sufficiently good description of a
physical or engineering system, they will have a solution that corresponds to some
state of this system. Although it may be impossible to prove by mathematics alone
that a solution exists, this fact may be inferred from the physical analogy. Similarly,
although the solution may not be unique, it is hoped that familiarity with the physi-
cal analogue will enable a sufficiently good initial estimate to be found so that any
iterative process that may be used will in fact converge to the physically significant
solution.
The functions that require zeroing are real functions of real variables and it will
be assumed that they are continuous and differentiable with respect to these varia-
bles. In many practical examples they are extremely complicated and hence la-
borious to compute, and this fact has two important immediate consequences. The
first is that it is impracticable to compute any derivative that may be required by
the evaluation of the algebraic expression of this derivative. If derivatives are
needed they must be obtained by differencing. The second is that during any
iterative solution process the bulk of the computing time will be spent in evaluating
the functions. Thus, the most efficient process will tend to be that which requires
the smallest number of function evaluations.
This paper discusses certain modifications to Newton's method designed to re-
duce the number of function evaluations required. Results of various numerical
experiments are given and conditions under which the modified versions are superior
to the original are tentatively suggested.
disadvantages from the point of view of practical calculation. The first of these is
the difficulty of computing the Jacobian matrix. Even if the functions /> are suf-
ficiently simple for their partial derivatives to be obtained analytically, the amount
of labour required to evaluate all n2 of these may well be excessive. In the majority
of practical problems, however, the //s are far too complicated for this, and an
approximation to the Jacobian matrix must be obtained numerically. This is often
carred out directly, i.e., dfj/dxt is computed by evaluating/,- for two different values
of xk while holding the remaining n — 1 independent variables constant. Although
this direct approach gives an immediate approximation to the partial derivatives,
it is not without its disadvantages, the most serious of which is the amount of labour
involved. For in order to compute the Jasobian matrix in this way the vector func-
tion f must be evaluated for at least n + 1 sets of independent variables.
The second disadvantage of Newton's method is the fact that without some mod-
ifications it frequently fails to converge. Conditions for convergence are in fact well
known (see e.g. [4]), but they rely on the initial estimate of the solution being
sufficiently good, a requirement that is often impossible to realise in practice. Hence
Newton's method, as defined by (2.3), cannot be regarded as a good practical
algorithm.
Despite these disadvantages, however, the method has much to commend it.
The algorithm is simple, even though it does require the solution of n linear equa-
tions at every step, it has a sound theoretical basis and for many problems its
convergence is rapid. Furthermore, it has few competitors. The methods based upon
minimising some norm of the vector f by the steepest descent or some similar method
tend to converge slowly if the problem is at all ill-conditioned, although the very
new method described by Kizner [5] may ultimately prove to be more satisfactory.
In order to overcome some of the disadvantages of Newton's method it has
been suggested that the Jacobian matrix be evaluated either once and for all or
once every few iterations, instead of at every iteration as is strictly required. Both
these variants, however, require the complete evaluation of the Jacobian matrix.
In the class of methods described in this paper the partial derivatives df¡/dxk are
not estimated or evaluated directly, but corrections to the approximate inverse
of the Jacobian matrix are computed from values of the vector function f.
A correction of this type is carried out at each iteration and is much simpler to
perform than the evaluation of the complete Jacobian. It is hoped, therefore, that
this class of methods combines to some extent the simplicity of the constant matrix
(once for all) method with the ultimately rapid convergence of the basic Newton
method.
3. The Class of Methods. Let x, be the ith. approximation to the solution of (2.2)
and defined p, by
(3.1) P. = -Bi_1fi
where B, is some approximation to the Jacobian matrix evaluated at x<. Then a
simple modification to Newton's algorithm gives x,+i by
(3.2) x<+i = Xi + ¿¿p¡,
where ¿,, whose derivation will be discussed in section 5, is a scalar multiplier chosen
SOLVING NONLINEAR SIMULTANEOUS EQUATIONS 579
(3.5) f = AP<
where A is the Jacobian matrix. Hence if an accurate estimate of di/dt were avail-
able, it could be used, via equation (3.5), to establish a condition that any approxi-
mation to the Jacobian matrix must satisfy. Now it has already been assumed that
the functions f¡ are sufficiently complicated for analytic expressions of their first
partial derivatives not to be available; the only way of obtaining an estimate to
di/dt is by differencing. Since the aim is to obtain an approximation to the Jacobian
matrix at the point x,+], it is necessary to obtain an approximation to di/dt at
this point. Hence expand each /,, still regarded as a function of t alone, as a Taylor
series about U and assume that the second and higher-order terms are small, giving
(3.6) t(ti-i)St«-iJ.
Hence when fi+I and i(U — si), where s,- is a particular value of s whose choice
will be discussed in section 6, have been computed, equation (3.6) may be used
without the need for further evaluations of the function f to obtain an approxima-
tion of di/dt and hence to impose a condition upon any approximation to the
Jacobian matrix. No special evaluation of f is ever necessary to do this since if s
is put equal to U, i(U — s) becomes f,, a known quantity. Eliminating di/dt
between (3.5) and (3.6) then gives
(3.7) ii+i - i(U - Si) S s.Ap,.
Consider now equation (3.7). It relates four quantities that have already been
computed to a fifth, the Jacobian matrix A, to which only an approximation B,
is available and to which a better approximation Bi+i is sought. Now in the class
of methods discussed in this paper B,+i is chosen in such a way as to satisfy the
equation
(3.8) fi+i - t(U - Si) = S.B.+1P,.
On comparing equations (3.7) and (3.8) it is seen that if the error in (3.7) is
negligible, i.e., if the sum of the second and higher-order terms in the Taylor series
expansion of each f, is sufficiently small, then Bi+i will have at least one of the re-
580 C. G. BROYDEN
quired properties of the Jacobian matrix. If, on the other hand, the omitted sums
are large, the matrix Bi+i will not approximate to the Jacobian matrix. Hence it
would appear reasonable to choose s, to be as small as possible consistent with not
introducing excessive rounding error into the estimate of di/dt.
If Si is put equal to U, equation (3.8) becomes
4. Particular Methods.
Method 1. In the previous section a class of methods was derived in which the
new approximation Bi+i to the Jacobian matrix is required to satisfy an equation
SOLVING NONLINEAR SIMULTANEOUS EQUATIONS 581
involving the two values of the vector function evaluated at x,+i and x,- + (U — Si)p, ,
respectively. This equation from (3.8) and (3.11) is
(4-1) y. = SiBi+iPi
and relates the change y, in the vector function to the change of x in the direction
Pi. No information, however, is available about the change in f when x is changed
in a direction other than p,, hence it is not possible to obtain a fresh estimate of
rates of change of f in these directions. So, in Method 1, Bi+1 is chosen so that the
change in f predicted by Bi+i in a direction q, orthogonal to p, is the same as would
be predicted by B,. Symbolically, that is
(4.2) Bi+1q, = B.q,, q/p, = 0.
This, with (4.1), is sufficient to define B,+] uniquely and it is readily verified
that this unique value is given by
(4.4) • (A + If)-.A--£^1.
Applying this to (4.3) and recalling (3.10) gives
,.-, TT , _ TT (SiPi + HiVi)pirHj
(4.5) Hî+i - H,---^-.
This equation defines the first of the methods to be discussed. Clearly Hi+i satisfies
(3.13).
It will now be shown for this method that if the Jacobian matrix A is independent
of x, i.e., if the equations to be solved are linear, then Bi+i is not a worse approxima-
tion to A than B, in the sense that the spectral norm of (A — B!+i) is not greater
than that of (A — B¡). For if the linear equations are
(4.6) Ax = b,
it follows from (3.3) and (3.11) that
(4.7) y i = s.Api,
and substituting this in (4.3) gives
(4.9) C, = B, - A,
582 C. G. BROVDEN
(4.10) ci+1-C,(l-||0.
But the matrix
\ P.W
is symmetric and has n — 1 eigenvalues equal to unity and one equal to zero. Its
spectral norm is thus unity and since the norm of the product of two matrices is
less than or equal to the product of their norms (see e.g. [9]), then the norm of
C,+i cannot exceed that of C, and the assertion is proved.
Method 2. The second quasi-Newton method is obtained by requiring that
(4.11) H<+iV<= HiVi, v/y< = 0
and is thus in some sense a complement of Method 1. Since H,+i must also satisfy
(3.13), it is readily seen that for this method H¿n is uniquely given by
(4.12) Hi+i = H,-- Í** + H<y')y/
y.ry.
By similar arguments used for Method 1 it can be shown that if the equations
to be solved are linear, then Hi+i is not a worse approximation to -A-1 than H,.
Since, however, this method appears in practice to be unsatisfactory, it will be dis-
cussed no further at this stage.
Method 3. The two methods described above are, in principle, suitable for
solving a general set of nonlinear simultaneous equations. If now certain assumptions
are made about the form of the equations, further methods may be derived. If,
in particular, the functions f¡ are the first partial derivatives of a convex function,
then solving the equations is a way of minimising the function. Under these condi-
tions it is known that at the solution the Jacobian matrix is both symmetric and
positive definite, and H,+i may be chosen to fulfil these requirements. In Method
3, which is, to the author's knowledge, the only one of this class of methods to have
been previously published, Ht+i is defined by
Hiy.y/Hi SiPip,r
(4.13) Hi+1 = H,- - 7irHiji Piry.
function f i is a nonincreasing function of i. The simplest, and that used in the author's
program, is the Euclidean norm although of course others may be employed.
In the practical application of one of the methods described in section 4, once a
step direction p, has been obtained from equation (3.12), x is constrained to satisfy
equation (3.3) so that, until x,+i has been determined, f(x) and its norm become
functions of t alone. The value U of t that is finally used to determine x,+i may then
be chosen in various ways, and two of these are now considered.
In the first method U is chosen to minimise the norm of f i+i. This is, perhaps, the
most obvious choice to make since it gives the greatest immediate reduction of the
norm and hence, in some sense, the greatest improvement to the approximate solu-
tion. However, in order to do this the vector function f needs to be evaluated a
number of times, and this means an increase in the amount of compu-
tation required compared with the alternative strategy of choosing a value of /,
which merely reduces the norm. Frequently the original Newtonian value of unity
is sufficient to do this, but even if it is not, it will be less laborious to reduce the
norm than to minimise it. Reducing the norm does not, of course, give as good
an immediate improvement to the solution as norm minimisation, but it does
mean that less work is involved in correcting the matrix H,.
The relative merits of these opposing strategies, that of obtaining the greatest
improvement to the solution during one step or that of using the new information
as soon as possible to correct H, and compute a new xi+i, are difficult to assess
from theory alone and recourse must be made to numerical experiment. The results
of applying these two strategies to various problems are discussed in sections
9 and 10.
(6.1) ¿(1)= 1,
(6.2) r(m) = U ,
and where U is either the value of t that minimises N or the first t(k) for which N(t(k))
< N(0). If stt) is defined by
584 C. G. BROYDEN
then Si is best chosen to be that s * having the smallest modulus. It is, however,
impossible to compute this until t m itself is known, and this results in the necessity
of storing the m vectors f(i * ), where m is indeterminate, in order to compute the
appropriate value of y,.
In order to avoid this it is assumed that the value of s(i> most likely to have the
smallest modulus is given by putting fc equal to m — 1 in equation (6.3), and so
defining s, by
(6.4) Si = t(m) - tlm~u.
7. Some Details of the Test Program. In order to test the methods described
above a program was prepared that would solve a given problem with given initial
conditions using a variety of methods. The program was written in ALGOL and
run on the English Electric KDF9 computer using the Whetstone ALGOL Trans-
lator [8]. In this implementation real numbers are stored as floating-point numbers
having effectively a 39 bit mantissa and a 7 bit exponent with an extra two bits to
indicate sign.
The initial estimate Ho to the inverse Jacobian matrix was obtained in every
case and for every method by evaluating the approximation to the matrix elements
dfj/dxk using the equation
(71) d/j ^fj(xk + hk) - fj(xk)
dXk hk
and inverting the resulting matrix by solving a matrix equation whose right hand
sides were the n columns of the unit matrix using Gaussian elimination with row
interchanges to select the pivot having largest modulus. The choice of hk was ar-
bitrary and was taken to be roughly one-thousandth part of Xk■
A first value t1 of t was chosen to be unity since this is the value arising naturally
in Newton's method. The second value, if required, was given by the equation
tion cannot be negative, it must therefore have zero slope at t = 1. Denoting this
ideal quadratic approximation by <t>t(t), it follows that for <¡>q(t)to satisfy the
conditions at t = 1 it must be given by
(7.4) 0,(i) a (1 - 2t + i2)4>(0).
In practice, of course, the square of the Euclidean norm at t = 1 is very rarely
equal to zero and the assumption is now made that this is due solely to the presence
of an additional cubic term. Hence the function <pis assumed to be approximated by
the cubic function 4>cwhere
8. Basis for Comparison. The criteria by which the merit of any algorithm may
be assessed are the accuracy of the solution obtained, the time taken to reach this
solution and the amount of computer storage space used in the computation. Fre-
quently the second of these criteria is in conflict with the first and the third and
some arbitrary assumptions must be made before it is possible to give an overall
comparison of two different algorithms.
In the comparisons made in this paper storage space requirements are omitted
completely, time and accuracy alone being considered. Since it is impossible to com-
pare times accurately when two methods are tested on two different machines or
using two different programming systems, the further assumptions are made that
the total amount of computation, and hence the time taken, is directly proportional
to the number of evaluations of the vector function f that are necessary to obtain
586 C. G. BROYDEN
the solution and that the constant of proportionality is the same for all methods.
This is approximately true when the functions are simple and becomes more nearly
true as the complexity of the functions increases and the constant of proportionality
approaches unity. This measure of computing time is clearly more satisfactory than
the number of iterations since the amount of labour involved in an iteration may
vary from the evaluation of n + 1 functions and the inversion of a matrix in the
basic method to the evaluation of perhaps only one function and a few matrix-
vector multiplications in Method 1 with norm reduction.
In order to compare the performance of the various methods under as nearly
identical conditions as possible they were used to solve a set of test problems,
starting each problem from the same initial conditions. Since, however, the course
of computation varied with each method, it was impossible to terminate the calcu-
lations at the same point; the accuracy of the final solution as measured by the
Euclidean norm of the vector f varied from method to method, although in each
case the iteration was terminated as soon as this norm became less than a tolerance
arbitrarily chosen to be 10-6. Now one of the characteristics of Newton's method is
that the rate of convergence increases as the solution is approached and it is quite
possible for the final iteration to reduce the norm of f by as much as a factor of 10~2.
Hence although the iteration is terminated immediately the norm becomes less than
10-6, the final norm may be as low as 10-8, and it was thought necessary to include
this variation when assessing the merit of a particular method.
The measure of efficiency of a method for solving a particular problem was thus
chosen to be the mean convergence rate R, where R is given by
(8.1) ß = iln^
m Nm
and where m is the total number of function evaluations and Ni, Nm the initial and
final Euclidean norms of f.
Although this definition of R is similar to Varga's definition of mean convergence
rate [10], it must be emphasised that the R defined by (8.1 ) has none of the properties
of that defined by Varga and in particular does not tend to an asymptotic value as
m—* ». It is merely intended to be a concise index of the performance of a method
applied to a particular problem in a particular situation and has no relevance outside
the context of the problem and situation to which it refers.
While the program was being developed, it became increasingly apparent that
Method 2 was quite useless. In every case tried it rapidly reached a state where suc-
cessive step vectors p, and p,+i were identical and further progress thus became im-
possible, and for this reason it is omitted from the following case histories.
Cases 1-3. The equations from these three cases arose from design studies on a
pneumatically-damped hydraulic system and involve both logarithms and fractional
powers. The three cases analysed were taken from a large number of cases, all of
which were difficult to solve. The first case has three independent variables and the
second and third four. The third case is merely the second case with an improved,
initial estimate.
Case 4. The equations here represent a counterflow gas/water steam-raising unit.
They involve logarithms and various polynomial approximations of physical
quantities, e.g. the saturation temperature of water as a function of pressure. There
are only two independent variables and despite the magnitude of A7!the equations
were much easier to solve than those used to provide Cases 1-3.
Cases 5-8. These cases solved the specially-constructed equations:
/i = - (3 + «xi)xi + 2x2 - ß,
Values of a, ß and n are given in the tables, and the initial estimates in all cases were
x, = —1.0, i = 1, 2, •• • , n.
Case 9. These equations were taken from a paper by Powell [7]:
/i = 10(x2 - xi2),
ft = 1 —Xi,
and the initial values of the independent variables were
x, = -1.2,
x2 = 1.0.
Case 10. The equations for this case were due to Freudenstein and Roth [3]:
/t = -13 + Xi+((-X2 + 5)x2-2)x2,
f2 = -29 + xi + ((x2 + l)x2 - 14)x2.
The initial values were
Xi = 15,
x2 = -2.
An examination of Tables 1-4 shows that of the eight methods tested, three were
consistently good for all the first four test cases. These were the full step norm-re-
ducing variant of Method 1 and both versions of the basic method. All the other
methods were either uniformly bad, or tended to be erratic in their behaviour. In
588 C. G. BROYDEN
Table 2
Ni = 3.050
Method N„ VI R
Method 1, minimising, full step 7.907,0 7 139 0.109
Method 1, minimising, incremental 4.278,o - 6 183* 0.074
Method 1, reducing, full step 2.590,0 8 44 0.422
Method 1, reducing, incremental 1.792,o - 8 41 0.462
Constant matrix, minimising 2.572,0 1 416* 0.006
Constant matrix, reducing 1.508,o 3 45* 0.169
Basic, minimising 8.476,o - 8 69 0.252
Basic, reducing 1.394,0 -8 38 0.505
SOLVING NONLINEAR SIMULTANEOUS EQUATIONS 589
Table 3
Ni = 1.059io- 1
Method N„ m R
Table 4
Ni = 1.418,0+ 2
Method Nn m R
On comparing the two variants of the basic method, it is seen that the norm-
reducing one was in all four cases superior to the norm-minimising one. Thus of the
three methods that did consistently well in the first four cases one was always
inferior to another, and for this reason was not tested further. This left only two
methods which were worth more extensive testing, and these were tried with six
more test cases.
On comparing the performances of the full step norm-reducing variant of Method
1 and the reducing variant of the basic method (subsequently referred to as method
1/fsr and basic/r), it appeared that method 1/fsr was superior to the basic/r method
if the problem were only mildly nonlinear, and it was conjectured that this superi-
ority would become more evident as the number of independent variables was in-
creased. Cases 5-8 were chosen to test this conjecture and do in fact tend to sup-
port it.
Case 9 was taken from a paper by Powell where he describes a method for minimis-
ing the sum of squares of nonlinear functions. If this sum happens to be zero, then
this procedure does in fact solve a set of nonlinear equations. The poor value of R
(computed from data quoted in [7]) achieved by Powell's method is due not so
much to the fact that this method required more function evaluations than either
method 1/fsr or the basic/r method but to the phenomenal improvement of the
norm that occurred during the final iteration of the latter two methods. In each case
the norm was reduced from greater than 10" to its final value during the last
590 C. G. BROYDEN
Table 5
Nx = 1.910 a = -0.1 ß - 1.0 n = 5
Method Nm m R
Table 6
Nx = 1.803 a = -0.5 ß = 1.0 n = 5
Method N„ m R
Table 7
Nx = 2.121 a = -0.5 ß = 1.0 n - 10
Method N„ m ß
Table 8
JVi = 2.646 a = -0.5 ß = 1.0 n = 20
Method N„ m R
Table 9
Nx = 4.919
Method N„ m R
Case 10, for which no table is given, is due to Freudenstein and Roth. Both
method 1/fsr and the basic/r methods failed to reach a solution although both came
to grief at a point that proved to be a local minimum of the norm of f. Now the norm
of f can be a minimum greater than zero only if the Jacobian matrix is singular at
that point, and this contravenes one of the cardinal requirements for the success of
Newton's method. For cases like this neither Newton's method nor any of its de-
rivatives is likely to succeed and some radical innovation, like that due to Freuden-
stein and Roth, is necessary.
10. Conclusions. From the discussion in the previous section the following con-
clusions emerge.
( 1 ) Norm reduction is a better strategy than norm minimisation.
(2) If a reasonably good initial estimate of the solution is available method
1/fsr is superior to the basic/r method.
(3) If a reasonably good initial estimate is not available then the basic/r method
is superior to method 1/fsr.
Conclusions (2) and (3) are somewhat tentative, and the term "reasonably
good" is itself rather vague. Furthermore the behaviour of the various methods
depends upon the nature of the problem they are attempting to solve, and it is thus
unlikely that the few test problems selected give a sufficiently accurate picture of
the overall behaviour of the algorithms to enable any more precise statements on the
relative merits of the methods to be made. However, since method 1/fsr has never
failed to converge when the basic/r method has converged and since for many of the
test cases it was superior to the basic/r method, it may prove to be a useful alterna-
tive, especially if a good initial estimate of H, is available. This would occur in the
method of Freudenstein and Roth or in solving a set of ordinary differential equa-
tions by a predictor-corrector technique, when the corrector equations could be
solved by Method 1 using as an initial estimate for Hi the final H, obtained during
the previous step.
5. Select a value U of t such that the norm of i(x( + ¿,pi) is less than the norm
of f(Xi). This is done iteratively and a modified version of the ALGOL procedure
given in Appendix 2 may be used. In the course of this calculation the following
will have been computed:
Xi+i = Xi -f- ¿,pi ,
fi+l = f(x^i).
6. Test fi+i for convergence. If the iteration has not yet converged, then:
7. Compute y, = ii+x — f,.
8. Compute Hm = H< - (Hiy,- + ¿iPi)piTHi/pi7H<yi.
9. Repeat from step 4. ,
Appendix 2. The minimisation of the Euclidean norm of f regarded as a function
of the single variable t was carried out by a slightly modified version of the ALGOL
procedure quadmin. The modifications enabled the procedure to perform some ad-
ditional housekeeping operations and in no way affected the course of the iteration.
On calling the procedure, the nonlocal variables n, last norm, x and p were set up as
follows.
Nonlocal variable Value
n Number of independent variables
lastnorm ftrf»
X Xi + p.-
V P.
The procedure compute calculates the vector f (x, -f- ip,-)for the current value of
t, where x, + tpi is stored in the array x, and stores it in the nonlocal array /. The
real procedure evalcrit computes the square of the Euclidean norm of the vector
stored in the array /. On entry to quadmin t is set to zero to prevent premature
emergence, but emergence is enforced when the number of iterations exceeds 10.
procedure quadmin;
begin comment This procedure minimises the Euclidean norm of the re-
siduals, treated as a function of the single variable t.
Quadratic interpolation is used;
procedure set (i); value i; integer i;
begin integer j;
ii := i; vt[i] :— t;
ioTJ := 1 step 1 until n do x[j] :.= x[j] + (t — last 0 X p\j];
goto recompute;
end set;
real xx, xw, xy, last t, norm;
integer i, ii, upper, mid, lower, iterone;
array phi, t><[l:3];
last t :— 1.0; t := 0; iterone := 0;
recompute: iterone := iterone + 1;
compute ; comment / now contains an approximation to /,-+i ;
norm : = evalcrit;
if (abs(¿ — last i) > 0.01 X abs(i) and iterone g 10) or iterone = 2
then begin if iterone = 1 then
begin vt[l] := 0; vt[3] := 1.0; phi[l] := lastnorm;
phi[3] := norm;
SOLVING NONLINEAR SIMULTANEOUS EQUATIONS 593