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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…

材料科学 · 物理学 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,…

统计计算 · 统计学 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,…

计算复杂性 · 计算机科学 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…

统计计算 · 统计学 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…

最优化与控制 · 数学 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…

最优化与控制 · 数学 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…

机器学习 · 统计学 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…

神经与进化计算 · 计算机科学 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…

机器学习 · 统计学 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…

机器学习 · 计算机科学 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…

数据结构与算法 · 计算机科学 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…

计算机视觉与模式识别 · 计算机科学 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…

最优化与控制 · 数学 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…

计算机视觉与模式识别 · 计算机科学 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…

数值分析 · 数学 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…

高能物理 - 格点 · 物理学 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…

最优化与控制 · 数学 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…

计算机视觉与模式识别 · 计算机科学 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…

系统与控制 · 电气工程与系统科学 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…

最优化与控制 · 数学 2021-01-01 Yuchen Xie , Raghu Bollapragada , Richard Byrd , Jorge Nocedal