A Derivative-Free Saddle-search Algorithm With Linear Convergence Rate

Fuente: arXiv
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Main Authors: Du, Qiang, Shi, Baoming, Zhang, Lei, Zheng, Xiangcheng
Format: Preprint
Published: 2026
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author Du, Qiang
Shi, Baoming
Zhang, Lei
Zheng, Xiangcheng
author_facet Du, Qiang
Shi, Baoming
Zhang, Lei
Zheng, Xiangcheng
contents We propose a derivative-free saddle-search algorithm designed to locate transition states using only function evaluations. The algorithm employs a nested architecture consisting of an inner eigenvector search and an outer saddle-point search. Through rigorous numerical analysis, we prove the almost sure convergence of the inner step under suitable assumptions. Furthermore, we establish the convergence of the outer search using a decaying step size, while demonstrating linear convergence under constant step size and boundedness conditions. Numerical experiments are provided to validate our theoretical results and demonstrate the algorithm's practical applicability.
format Preprint
id arxiv_https___arxiv_org_abs_2601_02650
institution arXiv
publishDate 2026
record_format arxiv
spellingShingle A Derivative-Free Saddle-search Algorithm With Linear Convergence Rate
Du, Qiang
Shi, Baoming
Zhang, Lei
Zheng, Xiangcheng
Numerical Analysis
Optimization and Control
We propose a derivative-free saddle-search algorithm designed to locate transition states using only function evaluations. The algorithm employs a nested architecture consisting of an inner eigenvector search and an outer saddle-point search. Through rigorous numerical analysis, we prove the almost sure convergence of the inner step under suitable assumptions. Furthermore, we establish the convergence of the outer search using a decaying step size, while demonstrating linear convergence under constant step size and boundedness conditions. Numerical experiments are provided to validate our theoretical results and demonstrate the algorithm's practical applicability.
title A Derivative-Free Saddle-search Algorithm With Linear Convergence Rate
topic Numerical Analysis
Optimization and Control
url https://arxiv.org/abs/2601.02650