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The Markov chain Monte Carlo method (MCMC), especially the Metropolis-Hastings (MH) algorithm, is a widely used technique for sampling from a target probability distribution $P$ on a state space $\Omega$ and applied to various problems such…

Quantum Physics · Physics 2023-03-13 Koichi Miyamoto

The Metropolis-Hastings (MH) algorithm is the prototype for a class of Markov chain Monte Carlo methods that propose transitions between states and then accept or reject the proposal. These methods generate a correlated sequence of random…

Computational Physics · Physics 2011-05-12 Albert H. Mao , Rohit V. Pappu

Statisticians often use Monte Carlo methods to approximate probability distributions, primarily with Markov chain Monte Carlo and importance sampling. Sequential Monte Carlo samplers are a class of algorithms that combine both techniques to…

Computation · Statistics 2022-06-20 Chenguang Dai , Jeremy Heng , Pierre E. Jacob , Nick Whiteley

Markov-chain Monte Carlo sampling has become a standard technique for exploring the posterior distribution of cosmological parameters constrained by observations of CMB anisotropies. Given an infinite amount of time, any MCMC sampler will…

Astrophysics · Physics 2007-05-23 Anze Slosar , Michael Hobson

Combinatorial Optimization problems are widespread in domains such as logistics, manufacturing, and drug discovery, yet their NP-hard nature makes them computationally challenging. Recent Neural Combinatorial Optimization methods leverage…

Machine Learning · Statistics 2025-06-05 Sobihan Surendran , Adeline Fermanian , Sylvain Le Corff

Monte Carlo Exploring Starts (MCES), which aims to learn the optimal policy using only sample returns, is a simple and natural algorithm in reinforcement learning which has been shown to converge under various conditions. However, the…

Machine Learning · Computer Science 2024-10-07 Suei-Wen Chen , Keith Ross , Pierre Youssef

We propose a novel Parallel Monte Carlo tree search with Batched Simulations (PMBS) algorithm for accelerating long-horizon, episodic robotic planning tasks. Monte Carlo tree search (MCTS) is an effective heuristic search algorithm for…

Robotics · Computer Science 2022-07-15 Baichuan Huang , Abdeslam Boularias , Jingjin Yu

By including elements of the density matrix formalism, the semiclassical ensemble Monte Carlo method for carrier transport is extended to incorporate incoherent tunneling, known to play an important role in quantum cascade lasers (QCLs). In…

Mesoscale and Nanoscale Physics · Physics 2017-11-17 Christian Jirauschek

Efficient exploration of multicomponent material composition spaces is often limited by time and financial constraints, particularly when mixture and synthesis constraints exist. Traditional methods like Latin hypercube sampling (LHS)…

Computation · Statistics 2025-02-20 Christina Schenk , Maciej Haranczyk

The concept of molecular similarity appears in many machine-learning algorithms based on the assumption that molecules with similar representations will also share similar properties. In this work, we propose a new way to study similarity…

Chemical Physics · Physics 2025-02-07 Jan Weinreich , Konstantin Karandashev , Guido Falk von Rudorff

The multilevel Monte Carlo (MLMC) method for continuous-time Markov chains, first introduced by Anderson and Higham (SIAM Multiscal Model. Simul. 10(1), 2012), is a highly efficient simulation technique that can be used to estimate various…

Numerical Analysis · Mathematics 2022-11-08 Chiheb Ben Hammouda , Nadhir Ben Rached , Raul Tempone

Background: Designing amino acid sequences that are stable in a given target structure amounts to maximizing a conditional probability. A straightforward approach to accomplish this is a nested Monte Carlo where the conformation space is…

Soft Condensed Matter · Physics 2016-08-31 Anders Irbäck , Carsten Peterson , Frank Potthast , Erik Sandelin

Monte Carlo simulations of quantum field theories on a lattice become increasingly expensive as the continuum limit is approached since the cost per independent sample grows with a high power of the inverse lattice spacing. Simulations on…

High Energy Physics - Lattice · Physics 2021-01-04 Karl Jansen , Eike Hermann Müller , Robert Scheichl

We consider the problem of high-dimensional filtering of state-space models (SSMs) at discrete times. This problem is particularly challenging as analytical solutions are typically not available and many numerical approximation methods can…

Computation · Statistics 2022-01-13 Hamza Ruzayqat , Aimad Er-Raiy , Alexandros Beskos , Dan Crisan , Ajay Jasra , Nikolas Kantas

Markov Chain Monte Carlo (MCMC) techniques are now widely used for cosmological parameter estimation. Chains are generated to sample the posterior probability distribution obtained following the Bayesian approach. An important issue is how…

Snapshots of colloidal particles moving on disordered two-dimensional substrates can be used to extract equal-time many-body correlations in their positions. To understand the systematics of these correlations, we perform Monte Carlo…

Soft Condensed Matter · Physics 2019-10-23 N. Shankaraiah , Surajit Sengupta , Gautam I. Menon

The detection and parametrization of molecular clumps is the first step in studying them. We propose a method based on Local Density Clustering algorithm while physical parameters of those clumps are measured using the Multiple Gaussian…

Instrumentation and Methods for Astrophysics · Physics 2022-02-02 Xiaoyu Luo , Sheng Zheng , Yao Huang , Shuguang Zeng , Xiangyun Zeng , Zhibo Jiang , Zhiwei Chen

Monte Carlo algorithms simulate some prescribed number of samples, taking some random real time to complete the computations necessary. This work considers the converse: to impose a real-time budget on the computation, which results in the…

Computation · Statistics 2023-06-22 Lawrence M. Murray , Sumeetpal Singh , Anthony Lee

Sampling-based motion planning methods, while effective in high-dimensional spaces, often suffer from inefficiencies due to irregular sampling distributions, leading to suboptimal exploration of the configuration space. In this paper, we…

Robotics · Computer Science 2025-08-28 Makram Chahine , T. Konstantin Rusch , Zach J. Patterson , Daniela Rus

Bayesian inference requires determining the posterior distribution, a task that becomes particularly challenging when the dimension of the parameter space is large and unknown. This limitation arises in many physics problems, such as…

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