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Basin-Hopping (BH) or Monte-Carlo Minimization (MCM) is so far the most reliable algorithms in chemical physics to search for the lowest-energy structure of atomic clusters and macromolecular systems. BH transforms the complex energy…

Materials Science · Physics 2009-11-10 Masao Iwamatsu , Yutaka Okabe

Pseudo-marginal Metropolis-Hastings (pmMH) is a versatile algorithm for sampling from target distributions which are not easy to evaluate point-wise. However, pmMH requires good proposal distributions to sample efficiently from the target,…

Computation · Statistics 2018-07-30 Johan Dahlin , Adrian Wills , Brett Ninness

We study the problem of approximating Hamming distance in sublinear time under property-preserving hashing (PPH), where only hashed representations of inputs are available. Building on the threshold evaluation framework of Fleischhacker,…

Computational Complexity · Computer Science 2025-03-25 Dongfang Zhao

Particle Marginal Metropolis-Hastings (PMMH) is a general approach to Bayesian inference when the likelihood is intractable, but can be estimated unbiasedly. Our article develops an efficient PMMH method that scales up better to higher…

Computation · Statistics 2023-05-10 David Gunawan , Pratiti Chatterjee , Robert Kohn

Efficient global optimization is a widely used method for optimizing expensive black-box functions such as tuning hyperparameter, and designing new material, etc. Despite its popularity, less attention has been paid to analyzing the…

Optimization and Control · Mathematics 2022-09-21 Wenjie Xu , Yuning Jiang , Emilio T. Maddalena , Colin N. Jones

We consider minimization of functions that are compositions of convex or prox-regular functions (possibly extended-valued) with smooth vector functions. A wide variety of important optimization problems fall into this framework. We describe…

Optimization and Control · Mathematics 2015-04-24 A. S. Lewis , S. J. Wright

Bayesian optimization has recently emerged as a popular and efficient tool for global optimization and hyperparameter tuning. Currently, the established Bayesian optimization practice requires a user-defined bounding box which is assumed to…

Machine Learning · Statistics 2015-08-18 Bobak Shahriari , Alexandre Bouchard-Côté , Nando de Freitas

This study investigates the potential of hybrid metaheuristic algorithms to enhance the training of Probabilistic Neural Networks (PNNs) by leveraging the complementary strengths of multiple optimisation strategies. Traditional learning…

Neural and Evolutionary Computing · Computer Science 2025-04-16 Piotr A. Kowalski , Szymon Kucharczyk , Jacek Mańdziuk

Efficient global optimization is the problem of minimizing an unknown function f, using as few evaluations f(x) as possible. It can be considered as a continuum-armed bandit problem, with noiseless data and simple regret. Expected…

Machine Learning · Statistics 2013-02-19 Adam D. Bull

Deep neural networks (DNNs) have shown great success in many machine learning tasks. Their training is challenging since the loss surface of the network architecture is generally non-convex, or even non-smooth. How and under what…

Machine Learning · Computer Science 2022-02-09 Lam M. Nguyen , Trang H. Tran , Marten van Dijk

The growing amount of applications that generate vast amount of data in short time scales render the problem of partial monitoring, coupled with prediction, a rather fundamental one. We study the aforementioned canonical problem under the…

Data Structures and Algorithms · Computer Science 2016-08-02 Michalis Kallitsis , Stilian Stoev , George Michailidis

Numerous applications require algorithms that can align partially overlapping point sets while maintaining invariance to geometric transformations (e.g., similarity, affine, rigid). This paper introduces a novel global optimization method…

Computer Vision and Pattern Recognition · Computer Science 2025-10-09 Wei Lian , Zhesen Cui , Fei Ma , Hang Pan , Wangmeng Zuo , Jianmei Zhang

This paper suggests two novel ideas to develop new proximal variable-metric methods for solving a class of composite convex optimization problems. The first idea is a new parameterization of the optimality condition which allows us to…

Optimization and Control · Mathematics 2018-12-14 Quoc Tran-Dinh , Liang Ling , Kim-Chuan Toh

This work focuses on representing very high-dimensional global image descriptors using very compact 64-1024 bit binary hashes for instance retrieval. We propose DeepHash: a hashing scheme based on deep networks. Key to making DeepHash work…

Computer Vision and Pattern Recognition · Computer Science 2016-02-17 Jie Lin , Olivier Morere , Vijay Chandrasekhar , Antoine Veillard , Hanlin Goh

In this paper, a multi-parameterized proximal point algorithm combining with a relaxation step is developed for solving convex minimization problem subject to linear constraints. We show its global convergence and sublinear convergence rate…

Numerical Analysis · Mathematics 2019-07-11 Jianchao Bai , Ke Guo , Xiaokai Chang

Common to many analysis pipelines in lattice gauge theory and the broader scientific discipline is the need to fit a semi-parametric model to data. We propose a fit method that utilizes a radial basis function network to approximate the…

High Energy Physics - Lattice · Physics 2024-02-29 Curtis Taylor Peterson , Anna Hasenfratz

In this paper, we propose new proximal Newton-type methods for convex optimization problems in composite form. The applications include model predictive control (MPC) and embedded MPC. Our new methods are computationally attractive since…

Optimization and Control · Mathematics 2020-07-21 Ilan Adler , Zhiyue Tom Hu , Tianyi Lin

Pre-processing whole slide images (WSIs) can impact classification performance. Our study shows that using fixed hyper-parameters for pre-processing out-of-domain WSIs can significantly degrade performance. Therefore, it is critical to…

Computer Vision and Pattern Recognition · Computer Science 2024-12-02 Jun Wang , Yu Mao , Yufei Cui , Nan Guan , Chun Jason Xue

Hamilton-Jacobi (HJ) reachability provides formal safety guarantees for nonlinear systems. However, it becomes computationally intractable in high-dimensional settings, motivating learning-based approximations that may introduce unsafe…

Systems and Control · Electrical Eng. & Systems 2026-03-27 Ebonye Smith , Sampada Deglurkar , Jingqi Li , Gechen Qu , Claire J. Tomlin

The motivation for this paper stems from the desire to develop an adaptive sampling method for solving constrained optimization problems in which the objective function is stochastic and the constraints are deterministic. The method…

Optimization and Control · Mathematics 2021-01-01 Yuchen Xie , Raghu Bollapragada , Richard Byrd , Jorge Nocedal
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