AN ITERATIVE MINIMIZATION FORMULATION FOR SADDLE POINT SEARCH

被引:35
作者
Gao, Weiguo [1 ,2 ]
Leng, Jing [1 ]
Zhou, Xiang [3 ]
机构
[1] Fudan Univ, Sch Math Sci, Shanghai 200433, Peoples R China
[2] Fudan Univ, MOE Key Lab Computat Phys Sci, Shanghai 200433, Peoples R China
[3] City Univ Hong Kong, Dept Math, Kowloon, Hong Kong, Peoples R China
基金
中国国家自然科学基金; 上海市科技启明星计划;
关键词
saddle point; energy landscape; eigenvector-following; gentlest ascent dynamics; iterative minimization; SHRINKING DIMER DYNAMICS; STRING METHOD; ENERGY; OPTIMIZATION; PATHS;
D O I
10.1137/130930339
中图分类号
O29 [应用数学];
学科分类号
070104 ;
摘要
This paper proposes and analyzes an iterative minimization formulation for searching index-1 saddle points of an energy function. We give a general and rigorous description of eigenvector-following methodology in this iterative scheme by considering an auxiliary optimization problem at each iteration in which the new objective function is locally defined near the current guess. We prove that this scheme has a quadratic local convergence rate in terms of number of iterations, in comparison to the linear rate of the gentlest ascent dynamics [W. E and X. Zhou, Nonlinearity, 24 (2011), pp. 1831-1842] and many other existing methods. We also propose the generalization of the new methodology for saddle points of higher index and for constrained energy functions on the manifold. Preliminary numerical results on the nature of this iterative minimization formulation are presented.
引用
收藏
页码:1786 / 1805
页数:20
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