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We propose the nullspace-preserving high-index saddle dynamics (NPHiSD) method for degenerating multiple solution systems in constrained and unconstrained settings. The NPHiSD efficiently locates high-index saddle points and provides parent…

数值分析 · 数学 2025-10-29 Kai Jiang , Lei Zhang , Xiangcheng Zheng , Tiejun Zhou

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…

数值分析 · 数学 2026-01-07 Qiang Du , Baoming Shi , Lei Zhang , Xiangcheng Zheng

We present a comprehensive theoretical analysis of first-order methods for escaping strict saddle points in smooth non-convex optimization. Our main contribution is a Perturbed Saddle-escape Descent (PSD) algorithm with fully explicit…

机器学习 · 计算机科学 2025-08-25 Faruk Alpay , Hamdi Alakkad

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,…

数学物理 · 物理学 2024-07-08 Gang Cui , Kai Jiang

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…

数值分析 · 数学 2025-10-17 Baoming Shi , Lei Zhang , Qiang Du

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…

机器学习 · 计算机科学 2024-11-26 Yuankai Liu , Lei Zhang , Jin Zhao

Stochastically controlled stochastic gradient (SCSG) methods have been proved to converge efficiently to first-order stationary points which, however, can be saddle points in nonconvex optimization. It has been observed that a stochastic…

最优化与控制 · 数学 2021-04-26 Guannan Liang , Qianqian Tong , Chunjiang Zhu , Jinbo Bi

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…

最优化与控制 · 数学 2018-07-23 Santiago Paternain , Aryan Mokhtari , Alejandro Ribeiro

Locating transition states is crucial for investigating transition mechanisms in wide-ranging phenomena, from atomistic to macroscale systems. Existing methods, however, can struggle in problems with a large number of degrees of freedom,…

计算物理 · 物理学 2022-09-07 Samuel J. Avis , Jack R. Panter , Halim Kusumaatmaja

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…

计算物理 · 物理学 2025-01-17 Hendrik Schrautzer , Moritz Sallermann , Pavel F. Bessarab , Hannes Jónsson

Accurate determination of transition states is central to an understanding of reaction kinetics. Double-endpoint methods where both initial and final states are specified, such as the climbing image nudged elastic band (CI-NEB), identify…

化学物理 · 物理学 2026-04-08 Rohit Goswami , Miha Gunde , Hannes Jónsson

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…

数值分析 · 数学 2020-11-11 Shuting Gu , Ling Lin , Xiang Zhou

Using the techniques of Neural Networks (NN), we study the three-dimensional (3D) 5-state ferromagnetic Potts model on the cubic lattice as well as the two-dimensional (2D) 3-state antiferromagnetic Potts model on the square lattice. Unlike…

无序系统与神经网络 · 物理学 2020-08-26 D. -R. Tan , C. -D. Li , W. -P. Zhu , F. -J. Jiang

In this paper, we propose a variant of Riemannian stochastic recursive gradient method that can achieve second-order convergence guarantee and escape saddle points using simple perturbation. The idea is to perturb the iterates when gradient…

最优化与控制 · 数学 2020-10-30 Andi Han , Junbin Gao

This paper shows that a perturbed form of gradient descent converges to a second-order stationary point in a number iterations which depends only poly-logarithmically on dimension (i.e., it is almost "dimension-free"). The convergence rate…

机器学习 · 计算机科学 2017-03-03 Chi Jin , Rong Ge , Praneeth Netrapalli , Sham M. Kakade , Michael I. Jordan

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…

最优化与控制 · 数学 2020-09-08 Christian Kümmerle , Claudio M. Verdun

Escaping saddle points is a central research topic in nonconvex optimization. In this paper, we propose a simple gradient-based algorithm such that for a smooth function $f\colon\mathbb{R}^n\to\mathbb{R}$, it outputs an…

最优化与控制 · 数学 2021-11-30 Chenyi Zhang , Tongyang Li

A central challenge to using first-order methods for optimizing nonconvex problems is the presence of saddle points. First-order methods often get stuck at saddle points, greatly deteriorating their performance. Typically, to escape from…

A central challenge to many fields of science and engineering involves minimizing non-convex error functions over continuous, high dimensional spaces. Gradient descent or quasi-Newton methods are almost ubiquitously used to perform such…

机器学习 · 计算机科学 2014-05-29 Razvan Pascanu , Yann N. Dauphin , Surya Ganguli , Yoshua Bengio

We consider a class of non-smooth strongly convex-strongly concave saddle point problems in a decentralized setting without a central server. To solve a consensus formulation of problems in this class, we develop an inexact primal dual…

机器学习 · 计算机科学 2023-09-14 Chhavi Sharma , Vishnu Narayanan , P. Balamurugan
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