Vj. Law et Y. Sharma, COMPUTATION OF THE GRADIENT AND SENSITIVITY COEFFICIENTS IN SUM OF SQUARES MINIMIZATION PROBLEMS WITH DIFFERENTIAL-EQUATION MODELS, Computers & chemical engineering, 21(12), 1997, pp. 1471-1479
In parameter estimation problems where the system model consists of di
fferential equations, methods for minimizing a sum of squares of resid
uals objective function require derivatives of the residuals with resp
ect to the parameters being estimated (sensitivity coefficients) or th
e gradient of the objective function (depending on the numerical optim
ization method). This paper considers two methods for generating such
derivatives: (1) the adjoint equation - gradient formula; and (2) comp
limentary sensitivity coefficient differential equations. Particular a
ttention is given to the consistency between the method used to solve
the model equations and the proper formulation of the additional equat
ions required by the two methods. Two example problems illustrate comp
utational experience using a modified quasi-Newton method with the adj
oint method used to generate gradients and applying a modified Gauss-N
ewton approach with the sensitivity coefficient equations to calculate
both the Gauss-Newton matrix and the objective function gradient. Res
ults indicate the superiority of the sensitivity coefficient approach.
When comparing the computational effort required by the two methods a
nd the results from the simple examples, it appears that the use of co
mplimentary sensitivity coefficient equations is much more efficient t
han using only the gradient of the sum of squares function. (C) 1997 E
lsevier Science Ltd.