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Understanding transition pathways between two meta-stable states of a molecular system is crucial to advance drug discovery and material design. However, unbiased molecular dynamics (MD) simulations are computationally infeasible because of…

Machine Learning · Computer Science 2025-01-28 Kiyoung Seong , Seonghyun Park , Seonghwan Kim , Woo Youn Kim , Sungsoo Ahn

The high-index saddle dynamics (HiSD) method provides a powerful framework for finding saddle points and constructing solution landscapes. While originally derived for nondegenerate critical points, HiSD has demonstrated empirical success…

Numerical Analysis · Mathematics 2026-02-03 Tao Luo , Jianyuan Yin , Lei Zhang , Shixue Zhang

For N-dimensional (ND) static quadratic map, we present a time-delay approach to gradient-based extremum seeking (ES) both, in the continuous and, for the first time, the discrete domains. As in the recently introduced (for 2D maps in the…

Systems and Control · Electrical Eng. & Systems 2023-02-06 Xuefei Yang , Emilia Fridman

This work presents the convergence rate analysis of stochastic variants of the broad class of direct-search methods of directional type. It introduces an algorithm designed to optimize differentiable objective functions $f$ whose values can…

Optimization and Control · Mathematics 2020-03-09 Kwassi Joseph Dzahini

Motivated by the super-diffusivity of self-repelling random walk, which has roots in statistical physics, this paper develops a new perturbation mechanism for optimization algorithms. In this mechanism, perturbations are adapted to the…

Optimization and Control · Mathematics 2022-03-29 Xin Guo , Jiequn Han , Mahan Tajrobehkar , Wenpin Tang

We present a novel accelerated primal-dual (APD) method for solving a class of deterministic and stochastic saddle point problems (SPP). The basic idea of this algorithm is to incorporate a multi-step acceleration scheme into the…

Optimization and Control · Mathematics 2013-09-24 Yunmei Chen , Guanghui Lan , Yuyuan Ouyang

Stochastic gradient descent (SGD) with stochastic momentum is popular in nonconvex stochastic optimization and particularly for the training of deep neural networks. In standard SGD, parameters are updated by improving along the path of the…

Machine Learning · Computer Science 2021-06-08 Jun-Kun Wang , Chi-Heng Lin , Jacob Abernethy

Saddle point problems, ubiquitous in optimization, extend beyond game theory to diverse domains like power networks and reinforcement learning. This paper presents novel approaches to tackle saddle point problem, with a focus on…

Optimization and Control · Mathematics 2024-04-09 Anik Kumar Paul , Arun D Mahindrakar , Rachel K Kalaimani

Recently, in (M. Masoudi, D.K. Salkuyeh, An extension of positive-definite and skew-Hermitian splitting method for preconditioning of generalized saddle point problems, Computers \& Mathematics with Application,…

Numerical Analysis · Mathematics 2021-09-13 Mohsen Masoudi , Davod Khojasteh Salkuyeh

In this paper we analyze the behaviour of the stochastic gradient descent (SGD), a widely used method in supervised learning for optimizing neural network weights via a minimization of non-convex loss functions. Since the pioneering work of…

Machine Learning · Computer Science 2025-05-13 Davide Barbieri , Matteo Bonforte , Peio Ibarrondo

We introduce and investigate stochastic processes designed to find local minimizers and saddle points of non-convex functions, exploring the landscape more efficiently than the standard noisy gradient descent. The processes switch between…

Probability · Mathematics 2023-03-24 Lucas Journel , Pierre Monmarché

In this paper, we study the problem of escaping from saddle points in smooth nonconvex optimization problems subject to a convex set $\mathcal{C}$. We propose a generic framework that yields convergence to a second-order stationary point of…

Machine Learning · Computer Science 2018-10-10 Aryan Mokhtari , Asuman Ozdaglar , Ali Jadbabaie

In this paper, we propose a generalized shift-splitting (GSS) preconditioner, along with its two relaxed variants to solve the double saddle point problem (DSPP). The convergence of the associated GSS iterative method is analyzed, and…

Numerical Analysis · Mathematics 2025-07-08 Sk. Safique Ahmad , Pinki Khatun

Chemical reactions in multidimensional systems are often described by a rank-1 saddle, whose stable and unstable manifolds intersect in the normally hyperbolic invariant manifold (NHIM). Trajectories started on the NHIM in principle never…

Chemical Physics · Physics 2020-02-25 Martin Tschöpe , Matthias Feldmaier , Jörg Main , Rigoberto Hernandez

Estimating the probabilities of rare failure events is a key challenge in the reliability analysis of physical systems. Subset simulation (SS) is a very popular adaptive Monte Carlo method for this problem. In SS, the small failure…

Computation · Statistics 2026-05-25 Oindrila Kanjilal , Julien Bect

In this paper, the steeped-transmission shaft design problem is proposed for weight optimization. The bio-inspired search-based Snail Homing and Mating Search (SHMS) algorithm is utilized to solve the problem. It is inspired by the social…

Neural and Evolutionary Computing · Computer Science 2025-09-18 Kaustav Saha , Ishaan R Kale , Vivek Patel , Anand J Kulkarni , Puskaraj D Sonawwanay

Many complex dynamical phenomena can be effectively modeled by a system that switches among a set of conditionally linear dynamical modes. We consider two such models: the switching linear dynamical system (SLDS) and the switching vector…

Methodology · Statistics 2015-05-18 Emily B. Fox , Erik B. Sudderth , Michael I. Jordan , Alan S. Willsky

This paper introduces a preconditioned method designed to comprehensively address the saddle point system with the aim of improving convergence efficiency. In the preprocessor construction phase, a technical approach for solving the…

Numerical Analysis · Mathematics 2024-04-10 Juan Zhang , Yiyi Luo

Real-world datasets often exhibit a long-tailed distribution, where vast majority of classes known as tail classes have only few samples. Traditional methods tend to overfit on these tail classes. Recently, a new approach called Imbalanced…

Machine Learning · Computer Science 2024-12-23 Xingyu Lyu , Qianqian Xu , Zhiyong Yang , Shaojie Lyu , Qingming Huang

Understanding how the collective activity of neural populations relates to computation and ultimately behavior is a key goal in neuroscience. To this end, statistical methods which describe high-dimensional neural time series in terms of…

Neurons and Cognition · Quantitative Biology 2025-01-14 Amber Hu , David Zoltowski , Aditya Nair , David Anderson , Lea Duncker , Scott Linderman