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A dimer-type saddle search algorithm with preconditioning and linesearch

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Gould, Nicholas, Ortner, Christoph and Packwood, David (2016) A dimer-type saddle search algorithm with preconditioning and linesearch. Mathematics of Computation, 85 . pp. 2939-2966. doi:10.1090/mcom/3096

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Official URL: http://doi.org/10.1090/mcom/3096

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Abstract

The dimer method is a Hessian-free algorithm for computing saddle points. We augment the method with a linesearch mechanism for automatic step size selection as well as preconditioning capabilities. We prove local linear convergence. A series of numerical tests demonstrate significant performance gains.

Item Type: Journal Article
Subjects: Q Science > QA Mathematics
Q Science > QD Chemistry
Divisions: Faculty of Science > Mathematics
Library of Congress Subject Headings (LCSH): Method of steepest descent (Numerical analysis), Algorithms, Chemistry, Physical and theoretical
Journal or Publication Title: Mathematics of Computation
Publisher: American Mathematical Society
ISSN: 0025-5718
Official Date: 22 March 2016
Dates:
DateEvent
22 March 2016Published
28 April 2015Accepted
Date of first compliant deposit: 2 March 2017
Volume: 85
Page Range: pp. 2939-2966
DOI: 10.1090/mcom/3096
Status: Peer Reviewed
Publication Status: Published
Access rights to Published version: Restricted or Subscription Access
Funder: Engineering and Physical Sciences Research Council (EPSRC)
Grant number: EP/J021377/1, EP/J022055/1

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