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Recent advances in probabilistic modelling have led to a large number of simulation-based inference algorithms which do not require numerical evaluation of likelihoods. However, a public benchmark with appropriate performance metrics for…

Machine Learning · Statistics 2021-04-12 Jan-Matthis Lueckmann , Jan Boelts , David S. Greenberg , Pedro J. Gonçalves , Jakob H. Macke

Parallel Markov Chain Monte Carlo (pMCMC) algorithms generate clouds of proposals at each step to efficiently resolve a target probability distribution. We build a rigorous foundational framework for pMCMC algorithms that situates these…

We define a discrete-time Markov chain for abstract polymer models and show that under sufficient decay of the polymer weights, this chain mixes rapidly. We apply this Markov chain to polymer models derived from the hard-core and…

Data Structures and Algorithms · Computer Science 2021-04-14 Zongchen Chen , Andreas Galanis , Leslie Ann Goldberg , Will Perkins , James Stewart , Eric Vigoda

For many decades, quantum chemical method development has been dominated by algorithms which involve increasingly complex series of tensor contractions over one-electron orbital spaces. Procedures for their derivation and implementation…

Computational Physics · Physics 2014-10-10 George H. Booth , Simon D. Smart , Ali Alavi

DerivKit is a Python package for derivative-based statistical inference. It implements stable numerical differentiation and derivative assembly utilities for Fisher-matrix forecasting and higher-order likelihood approximations in scientific…

Instrumentation and Methods for Astrophysics · Physics 2026-02-10 Nikolina Šarčević , Matthijs van der Wild , Cynthia Trendafilova

This review treats the mathematical and algorithmic foundations of non-reversible Markov chains in the context of event-chain Monte Carlo (ECMC), a continuous-time lifted Markov chain that employs the factorized Metropolis algorithm. It…

Soft Condensed Matter · Physics 2022-08-31 Werner Krauth

Partially Observable Markov Decision Processes (POMDPs) are a fundamental framework for decision-making under uncertainty and partial observability. Since in general optimal policies may require infinite memory, they are hard to implement…

Artificial Intelligence · Computer Science 2026-04-30 Muqsit Azeem , Debraj Chakraborty , Sudeep Kanav , Jan Kretinsky

This work is concerned with computing low-rank approximations of a matrix function $f(A)$ for a large symmetric positive semi-definite matrix $A$, a task that arises in, e.g., statistical learning and inverse problems. The application of…

Numerical Analysis · Mathematics 2023-06-13 David Persson , Daniel Kressner

Markov chain Monte Carlo algorithms are used to simulate from complex statistical distributions by way of a local exploration of these distributions. This local feature avoids heavy requests on understanding the nature of the target, but it…

Computation · Statistics 2018-04-12 Christian P. Robert , Victor Elvira , Nick Tawn , Changye Wu

Markov chain Monte Carlo (MCMC) sampling is an important and commonly used tool for the analysis of hierarchical models. Nevertheless, practitioners generally have two options for MCMC: utilize existing software that generates a black-box…

Leveraging well-established MCMC strategies, we propose MCMC-interactive variational inference (MIVI) to not only estimate the posterior in a time constrained manner, but also facilitate the design of MCMC transitions. Constructing a…

Machine Learning · Computer Science 2022-12-14 Quan Zhang , Huangjie Zheng , Mingyuan Zhou

We introduce a Markov Chain Monte Carlo (MCMC) algorithm that dramatically accelerates the simulation of quantum many-body systems, a grand challenge in computational science. State-of-the-art methods for these problems are severely limited…

Strongly Correlated Electrons · Physics 2025-10-17 Deqian Kong , Shi Feng , Jianwen Xie , Ying Nian Wu

Bayesian inference in the physical sciences faces a fundamental challenge: the imperative for high-fidelity physical modeling often clashes with the intrinsic limitations of stochastic sampling algorithms. Complex, high-dimensional…

Instrumentation and Methods for Astrophysics · Physics 2026-04-09 Bo Liang , Chang Liu , Hanlin Song , Tianyu Zhao , Minghui Du , He Wang , Haohao Gu , Sensen He , Yuxiang Xu , Wei-Liang Qian , Li-e Qiang , Peng Xu , Ziren Luo , Mingming Sun

Markov chain Monte Carlo (MCMC) is a popular and successful general-purpose tool for Bayesian inference. However, MCMC cannot be practically applied to large data sets because of the prohibitive cost of evaluating every likelihood term at…

Machine Learning · Statistics 2014-03-25 Dougal Maclaurin , Ryan P. Adams

Deep research systems represent an emerging class of agentic information retrieval methods that generate comprehensive and well-supported reports to complex queries. However, most existing frameworks rely on dynamic commercial search APIs,…

Minimum-weight perfect matching (MWPM) has been been the primary classical algorithm for error correction in the surface code, since it is of low runtime complexity and achieves relatively low logical error rates [Phys. Rev. Lett. 108,…

Quantum Physics · Physics 2014-02-20 Adrian Hutter , James R. Wootton , Daniel Loss

Performing numerical integration when the integrand itself cannot be evaluated point-wise is a challenging task that arises in statistical analysis, notably in Bayesian inference for models with intractable likelihood functions. Markov…

Computation · Statistics 2020-06-17 Lawrence Middleton , George Deligiannidis , Arnaud Doucet , Pierre E. Jacob

Probabilistic databases play a crucial role in the management and understanding of uncertain data. However, incorporating probabilities into the semantics of incomplete databases has posed many challenges, forcing systems to sacrifice…

Databases · Computer Science 2015-03-17 Michael Wick , Andrew McCallum , Gerome Miklau

Markov chain Monte Carlo (MCMC) is a sampling-based method for estimating features of probability distributions. MCMC methods produce a serially correlated, yet representative, sample from the desired distribution. As such it can be…

Computation · Statistics 2019-12-10 Dootika Vats , Nathan Robertson , James M Flegal , Galin L Jones

Markov chain Monte Carlo (MCMC) methods are foundational algorithms for Bayesian inference and probabilistic modeling. However, most MCMC algorithms are inherently sequential and their time complexity scales linearly with the sequence…

Computation · Statistics 2025-12-03 David M. Zoltowski , Skyler Wu , Xavier Gonzalez , Leo Kozachkov , Scott W. Linderman
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