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The Metropolis algorithm involves producing a Markov chain to converge to a specified target density $\pi$. In order to improve its efficiency, we can use the Rejection-Free version of the Metropolis algorithm, which avoids the inefficiency…

Computation · Statistics 2022-10-20 Sigeng Chen , Jeffrey S. Rosenthal , Aki Dote , Hirotaka Tamura , Ali Sheikholeslami

An optimization algorithm is presented which consists of cyclically heating and quenching by Metropolis and local search procedures, respectively. It works particularly well when it is applied to an archive of samples instead of to a single…

Disordered Systems and Neural Networks · Physics 2009-11-11 A. Mobius , A. Neklioudov , A. Diaz-Sanchez , K. H. Hoffmann , A. Fachat , M. Schreiber

Approximate Nearest neighbor search (ANNS) is fundamental and essential operation in applications from many domains, such as databases, machine learning, multimedia, and computer vision. Although many algorithms have been continuously…

Databases · Computer Science 2016-10-11 Wen Li , Ying Zhang , Yifang Sun , Wei Wang , Wenjie Zhang , Xuemin Lin

The Metropolis process (MP) and Simulated Annealing (SA) are stochastic local search heuristics that are often used in solving combinatorial optimization problems. Despite significant interest, there are very few theoretical results…

Data Structures and Algorithms · Computer Science 2023-12-22 Zongchen Chen , Dan Mikulincer , Daniel Reichman , Alexander S. Wein

Population-based search algorithms (PBSAs), including swarm intelligence algorithms (SIAs) and evolutionary algorithms (EAs), are competitive alternatives for solving complex optimization problems and they have been widely applied to…

Neural and Evolutionary Computing · Computer Science 2015-10-20 Guohua Wu

Near neighbor search (NNS) is a powerful abstraction for data access; however, data indexing is troublesome even for approximate indexes. For intrinsically high-dimensional data, high-quality fast searches demand either indexes with…

Data Structures and Algorithms · Computer Science 2021-06-30 Eric S. Tellez , Guillermo Ruiz , Edgar Chavez , Mario Graff

We study spectral algorithms for the high-dimensional Nearest Neighbor Search problem (NNS). In particular, we consider a semi-random setting where a dataset $P$ in $\mathbb{R}^d$ is chosen arbitrarily from an unknown subspace of low…

Data Structures and Algorithms · Computer Science 2014-08-05 Amirali Abdullah , Alexandr Andoni , Ravindran Kannan , Robert Krauthgamer

Large Neighborhood Search (LNS) is a common heuristic in combinatorial optimization that iteratively searches over a large neighborhood of the current solution for a better one. Recently, neural network-based LNS solvers have achieved great…

Machine Learning · Computer Science 2025-08-25 Shengyu Feng , Zhiqing Sun , Yiming Yang

Metropolis simulations of all-atom models of peptides (i.e. small proteins) are considered. Inspired by the funnel picture of Bryngelson and Wolyness, a transformation of the updating probabilities of the dihedral angles is defined, which…

Statistical Mechanics · Physics 2009-11-10 Bernd A. Berg

Large dynamical changes in thermalizing glassy systems are triggered by trajectories crossing record sized barriers, a behavior revealing the presence of a hierarchical structure in configuration space. The observation is here turned into a…

Statistical Mechanics · Physics 2016-12-11 Daniele Barettin , Paolo Sibani

Discovering the low-energy conformations of a molecule is of great interest to computational chemists, with applications in {\em in silico} materials design and drug discovery. In this paper, we propose a variable neighbourhood search…

Quantum Physics · Physics 2019-06-25 D. J. J. Marchand , M. Noori , A. Roberts , G. Rosenberg , B. Woods , U. Yildiz , M. Coons , D. Devore , P. Margl

Approximate Bayes Computations (ABC) are used for parameter inference when the likelihood function of the model is expensive to evaluate but relatively cheap to sample from. In particle ABC, an ensemble of particles in the product space of…

Computation · Statistics 2016-04-15 Carlo Albert , Hans R. Kuensch , Andreas Scheidegger

We propose Large Neighborhood Prioritized Search (LNPS) for solving combinatorial optimization problems in Answer Set Programming (ASP). LNPS is a metaheuristic that starts with an initial solution and then iteratively tries to find better…

Artificial Intelligence · Computer Science 2024-05-21 Irumi Sugimori , Katsumi Inoue , Hidetomo Nabeshima , Torsten Schaub , Takehide Soh , Naoyuki Tamura , Mutsunori Banbara

We propose an adaptive Metropolis-Hastings algorithm in which sampled data are used to update the proposal distribution. We use the samples found by the algorithm at a particular step to form the information-theoretically optimal mean-field…

Other Condensed Matter · Physics 2007-05-23 David H. Wolpert , Chiu Fan Lee

We examine the behaviour of the pseudo-marginal random walk Metropolis algorithm, where evaluations of the target density for the accept/reject probability are estimated rather than computed precisely. Under relatively general conditions on…

Computation · Statistics 2014-12-31 Chris Sherlock , Alexandre H. Thiery , Gareth O. Roberts , Jeffrey S. Rosenthal

Approximate nearest neighbor search (ANNS) constitutes an important operation in a multitude of applications, including recommendation systems, information retrieval, and pattern recognition. In the past decade, graph-based ANNS algorithms…

Information Retrieval · Computer Science 2021-05-11 Mengzhao Wang , Xiaoliang Xu , Qiang Yue , Yuxiang Wang

Simulated annealing (SA) is a key algorithm for solving combinatorial optimization problems, which model numerous real-world systems. While SA is commonly used to solve quadratic unconstrained binary optimization (QUBO) problems, many…

Statistical Mechanics · Physics 2026-05-05 Kohei Suzuki

Approximate Nearest Neighbor Search (ANNS) is a fundamental problem in many areas of machine learning and data mining. During the past decade, numerous hashing algorithms are proposed to solve this problem. Every proposed algorithm claims…

Computer Vision and Pattern Recognition · Computer Science 2019-06-20 Deng Cai

Nearest neighbor (NN) algorithms have been extensively used for missing data problems in recommender systems and sequential decision-making systems. Prior theoretical analysis has established favorable guarantees for NN when the underlying…

Machine Learning · Statistics 2025-09-03 Tathagata Sadhukhan , Manit Paul , Raaz Dwivedi

Integrating combinatorial optimization layers into neural networks has recently attracted significant research interest. However, many existing approaches lack theoretical guarantees or fail to perform adequately when relying on inexact…

Machine Learning · Computer Science 2025-09-30 Germain Vivier-Ardisson , Mathieu Blondel , Axel Parmentier
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