Tj. Vandernoot et I. Abrahams, THE USE OF GENETIC ALGORITHMS IN THE NONLINEAR-REGRESSION OF IMMITTANCE DATA, Journal of electroanalytical chemistry [1992], 448(1), 1998, pp. 17-23
A genetic algorithm (GA) approach to curve fitting of immittance data
is presented. This approach offers a solution to all of the problems a
ssociated with traditional non-linear regression of immittance data, s
uch as multiple local minima, the inability to constrain the fitting p
arameters, and the need for initial estimates of the fitting parameter
s. The GA works with a 'population' of possible answers (e.g. sets of
parameter values). Because of this, it does not require initial estima
tes of the fitting parameters, but requires only the allowable range o
f each parameter. Constraints are easily included by rejecting members
of the population which fall outside the allowable range for one or m
ore parameters. The fact that there is a population of answers and gra
dients are not calculated, means that it is more difficult, but not im
possible, for a GA to become trapped in a local minimum unlike the mor
e conventional gradient methods. The fitting of simulated noisy Randle
s data was used to illustrate the method. Populations of 100 individua
ls were used. The genetic operators were mutation, crossover and a pai
r of novel line operators. These were selected for use with probabilit
ies, respectively, of 40, 40 and 20% each. A global fit to the data co
uld be achieved within 20000 function evaluations which took 1 min on
a 100-MHz 486 PC. Uncertainties were calculated numerically by locatin
g a specified number of points which lay upon the 95% confidence hyper
surface. The performance of the GA was compared to that of a quasi-New
ton algorithm which calculated the gradients numerically. The quasi-Ne
wton algorithm typically required approximately 2000 function evaluati
ons to converge, but it often converged to a local minimum especially
with noisier data. (C) 1998 Elsevier Science S.A. All rights reserved.