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- Title
The Importance of Step Control in Optimization Methods.
- Authors
del Campo, Jorge M.; Köster, Andreas M.
- Abstract
The restricted step algorithm is described and applied to structure minimization. Robust solutions for the associated root-finding problem are derived. Structure minimizations employing the rational function optimization and the restricted step algorithm in the framework of the quasi-Newton method are compared. With approximated start Hessians both methods show a very similar performance. However, if the start Hessian matrix is calculated the restricted step algorithm is more reliable than the rational function optimization for the studied structure minimizations.
- Subjects
ALGORITHMS; GERMANS; COMPUTER programming; KNOT insertion &; deletion algorithms; POLAR forms (Mathematics); ANT algorithms; MACHINE theory; COMPUTER algorithms
- Publication
Croatica Chemica Acta, 2009, Vol 82, Issue 1, p283
- ISSN
0011-1643
- Publication type
Article