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5.4 HOMOTOPY CONTINUATION TRAINING METHOD FOR SEMIEMPIRICAL ANN-BASED MODELS 191
∂H a (τ(s),w(s)) dτ(s) evaluation of the error function Hessian (5.48)
∂τ ds at each step, which incurs a significant com-
∂H a (τ(s),w(s)) dw(s) putational burden. The quasi-Newton methods
+ = 0. (5.51)
∂w ds allow for a faster estimation of the error func-
tion Hessian, but the accuracy of these esti-
If we introduce an additional constraint of the
form mates might be insufficient. Unfortunately, the
Gauss–Newton approximation cannot be uti-
T
dτ(s) 2 dw(s) dw(s) lized, because it assumes the positive semidef-
+ = 1, (5.52) initeness of the Hessian. However, under the
ds ds ds
additional assumption that the error function
then the parameter s will represent the arc Hessian ∂H a (τ,w) has full rank at all points of the
∂w
length of γ . Thus, we can trace γ(s) by solving solution curve γ , the following properties hold.
the initial value problem ∂H a (τ,w)
First, all the eigenvalues of the Hessian
∂w
never change their sign along the γ curve. Since
⎛ ⎞⎛ ⎞
∂H a (τ,w) ∂H a (τ,w) dτ(s)
! all the eigenvalues are positive at (0,a), they re-
⎜ ∂τ ∂w ⎟⎜ ds ⎟ 0
dτ(s) dw(s) 1
⎝ T ⎠⎝ dw(s) ⎠ = , main positive at all points of γ (see [36]). This
ds ds ds means that all points of γ , including the so-
∗
τ(0) = 0, w(0) = a. (5.53) lution of the original problem (1,w ), actually
represent the local minima of the error function
As shown in [29], the arc length parametrization for each fixed τ. Thus, the iterative corrector
of curve γ is optimal in the sense that the associ- process may be implemented as a minimiza-
ated system of linear equations has the smallest tion process for the error function with respect
possible condition number. to w, while keeping τ fixed. Also, the efficient
The initial value problem can be solved by Gauss–Newton Hessian approximation may be
various methods, both explicit and implicit. utilized. Finally, the parameter τ monotonically
Note that although the global truncation error increases along the curve γ (i.e., the curve has no
of the initial value problem solution inevitably turning points with respect to τ). Therefore, the
accumulates as we trace the curve, we can sig- solution curve may be parametrized with τ in-
nificantly reduce it by applying the iterative stead of arc length s. In this case, the homotopy
corrector process which converges to the so- continuation is performed by solving the initial
lution curve γ . This correction procedure is value problem for Davidenko’s system of ODEs,
based on the fact that each point of γ satis- i.e.,
fies the equation system H a (τ,w) = 0. Hence,
given a point (˜τ, ˜ w) which lies in the neigh-
w(0) = a,
borhood of γ , we can find a closest point of
γ by solving the following optimization prob- dw ∂H a (τ,w) −1 ∂H a (τ,w) (5.55)
=− .
lem: dτ ∂w ∂τ
2
2
min (˜τ − τ) + ˜ w − w | H a (τ,w) = 0 . This simple version of a homotopy contin-
τ,w
(5.54) uation training algorithm is summarized be-
low (see Algorithm 1). The iterative correc-
We need to mention that the numerical con- tor process is implemented as a Levenberg–
tinuation method described above requires the Marquardt method for minimization of the error