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Computing saddle points with a prescribed Morse index on potential energy surfaces is crucial for characterizing transition states for nosie-induced rare transition events in physics and chemistry. Many numerical algorithms for this type of…

Optimization and Control · Mathematics 2025-01-28 Shuting Gu , Hao Zhang , Xiaoqun Zhang , Xiang Zhou

A method for locating first order saddle points on the energy surface of a magnetic system is described and several applications presented where the mechanism of various magnetic transitions is identified. The starting point for the…

Computational Physics · Physics 2025-01-17 Hendrik Schrautzer , Moritz Sallermann , Pavel F. Bessarab , Hannes Jónsson

Saddle points provide a hierarchical view of the energy landscape, revealing transition pathways and interconnected basins of attraction, and offering insight into the global structure, metastability, and possible collective mechanisms of…

Numerical Analysis · Mathematics 2025-10-17 Baoming Shi , Lei Zhang , Qiang Du

Saddle points play important roles as the transition states of activated process in gradient system driven by energy functional. However, for the same energy functional, the saddle points, as well as other stationary points, are different…

Numerical Analysis · Mathematics 2020-11-11 Shuting Gu , Ling Lin , Xiang Zhou

We present a class of simple algorithms that allows to find the reaction path in systems with a complex potential energy landscape. The approach does not need any knowledge on the product state and does not require the calculation of any…

Disordered Systems and Neural Networks · Physics 2018-02-28 Silvia Bonfanti , Walter Kob

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…

Numerical Analysis · Mathematics 2026-01-07 Qiang Du , Baoming Shi , Lei Zhang , Xiangcheng Zheng

We propose an iterative algorithm for low-rank matrix completion that can be interpreted as both an iteratively reweighted least squares (IRLS) algorithm and a saddle-escaping smoothing Newton method applied to a non-convex rank surrogate…

Optimization and Control · Mathematics 2020-09-08 Christian Kümmerle , Claudio M. Verdun

We introduce a new stochastic algorithm to locate the index-1 saddle points of a function $V:\mathbb R^d \to \mathbb R$, with $d$ possibly large. This algorithm can be seen as an equivalent of the stochastic gradient descent which is a…

Numerical Analysis · Mathematics 2023-08-24 Tony Lelièvre , Panos Parpas

We propose an alternating subgradient method with non-constant step sizes for solving convex-concave saddle-point problems associated with general convex-concave functions. We assume that the sequence of our step sizes is not summable but…

Optimization and Control · Mathematics 2023-05-26 Hui Ouyang

Machine learning problems such as neural network training, tensor decomposition, and matrix factorization, require local minimization of a nonconvex function. This local minimization is challenged by the presence of saddle points, of which…

Optimization and Control · Mathematics 2018-07-23 Santiago Paternain , Aryan Mokhtari , Alejandro Ribeiro

This paper presents an alternative approach for the computation of trajectory segments on slow manifolds of saddle type. This approach is based on iterative methods rather than collocation-type methods. Compared to collocation methods, that…

Dynamical Systems · Mathematics 2015-05-07 Kristian Uldall Kristiansen

Iterative algorithms with feedback are amongst the most powerful and versatile optimization methods for phase retrieval. Among these, the hybrid input-output algorithm has demonstrated practical solutions to giga-element nonlinear phase…

Optics · Physics 2007-11-13 S. Marchesini

A major approach to saddle point optimization $\min_x\max_y f(x, y)$ is a gradient based approach as is popularized by generative adversarial networks (GANs). In contrast, we analyze an alternative approach relying only on an oracle that…

Optimization and Control · Mathematics 2021-04-02 Youhei Akimoto

Algorithms for computing local minima of smooth objective functions enjoy a mature theory as well as robust and efficient implementations. By comparison, the theory and practice of saddle search is destitute. In this paper we present…

Numerical Analysis · Mathematics 2016-08-01 Antoine Levitt , Christoph Ortner

The high-index saddle dynamics (HiSD) method is a powerful approach for computing saddle points and solution landscape. However, its practical applicability is constrained by the need for the explicit energy function expression. To overcome…

Machine Learning · Computer Science 2024-11-26 Yuankai Liu , Lei Zhang , Jin Zhao

Recent focus on robustness to adversarial attacks for deep neural networks produced a large variety of algorithms for training robust models. Most of the effective algorithms involve solving the min-max optimization problem for training…

Machine Learning · Computer Science 2021-03-03 Yasaman Esfandiari , Aditya Balu , Keivan Ebrahimi , Umesh Vaidya , Nicola Elia , Soumik Sarkar

We present an iterative method for the search of extreme entries in low-rank tensors which is based on a power iteration combined with a binary search. In this work we use the HT-format for low-rank tensors but other low-rank formats can be…

Numerical Analysis · Mathematics 2019-12-11 Lars Grasedyck , Lukas Juschka , Christian Löbbert

This is a continuation of our previous work entitled \enquote{Alternating Proximity Mapping Method for Convex-Concave Saddle-Point Problems}, in which we proposed the alternating proximal mapping method and showed convergence results on the…

Optimization and Control · Mathematics 2023-11-01 Hui Ouyang

Finding index-1 saddle points is crucial for understanding phase transitions. In this work, we propose a simple yet efficient approach, the spring pair method (SPM), to accurately locate saddle points. Without requiring Hessian information,…

Mathematical Physics · Physics 2024-07-08 Gang Cui , Kai Jiang

Lens designers routinely use optimization in their everyday practice. Local optimization algorithms lead to the nearest minimum. In this paper, a new deterministic approach for multi-extremum optimization is proposed. Optimal solutions for…

Optics · Physics 2020-03-13 Ilya Agurok
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