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A new particle-based sampling and approximate inference method, based on electrostatics and Newton mechanics principles, is introduced with theoretical ground, algorithm design and experimental validation. This method simulates an…

Artificial Intelligence · Computer Science 2024-07-01 Yongchao Huang

In the realm of statistical learning, the increasing volume of accessible data and increasing model complexity necessitate robust methodologies. This paper explores two branches of robust Bayesian methods in response to this trend. The…

Methodology · Statistics 2024-12-02 Masahiro Tanaka

A central task in many applications is reasoning about processes that change over continuous time. Continuous-Time Bayesian Networks is a general compact representation language for multi-component continuous-time processes. However, exact…

Artificial Intelligence · Computer Science 2012-06-18 Tal El-Hay , Nir Friedman , Raz Kupferman

We describe a combination of all-atom simulations with CABS, a well-established coarse-grained protein modeling tool, into a single multiscale protocol. The simulation method has been tested on the C-terminal beta hairpin of protein G, a…

Biological Physics · Physics 2013-08-13 Jacek Wabik , Sebastian Kmiecik , Dominik Gront , Maksim Kouza , Andrzej Kolinski

Conditional particle filters (CPFs) with backward/ancestor sampling are powerful methods for sampling from the posterior distribution of the latent states of a dynamic model such as a hidden Markov model. However, the performance of these…

Computation · Statistics 2023-06-21 Santeri Karppinen , Sumeetpal S. Singh , Matti Vihola

In simulations of partial differential equations using particle-in-cell (PIC) methods, it is often advantageous to resample the particle distribution function to increase simulation accuracy, reduce compute cost, and/or avoid numerical…

Sequential Monte Carlo (SMC) methods, such as the particle filter, are by now one of the standard computational techniques for addressing the filtering problem in general state-space models. However, many applications require…

Computation · Statistics 2016-04-20 Fredrik Lindsten , Pete Bunch , Simo Särkkä , Thomas B. Schön , Simon J. Godsill

Gaussian Boson sampling (GBS) provides a highly efficient approach to make use of squeezed states from parametric down-conversion to solve a classically hard-to-solve sampling problem. The GBS protocol not only significantly enhances the…

Towards the efficient simulation of near-term quantum devices using tensor network states, we introduce an improved real-space parallelizable matrix-product state (MPS) compression method. This method enables efficient compression of all…

Quantum Physics · Physics 2024-09-02 Rong-Yang Sun , Tomonori Shirakawa , Seiji Yunoki

Coarse-graining (CG) of molecular simulations simplifies the particle representation by grouping selected atoms into pseudo-beads and drastically accelerates simulation. However, such CG procedure induces information losses, which makes…

Machine Learning · Computer Science 2022-06-20 Wujie Wang , Minkai Xu , Chen Cai , Benjamin Kurt Miller , Tess Smidt , Yusu Wang , Jian Tang , Rafael Gómez-Bombarelli

Standard Gibbs sampling applied to a multivariate normal distribution with a specified precision matrix is equivalent in fundamental ways to the Gauss-Seidel iterative solution of linear equations in the precision matrix. Specifically, the…

Computation · Statistics 2015-05-14 Colin Fox , Albert Parker

A fundamental task in machine learning and related fields is to perform inference on Bayesian networks. Since exact inference takes exponential time in general, a variety of approximate methods are used. Gibbs sampling is one of the most…

Machine Learning · Computer Science 2015-11-23 Daniel Seita , Haoyu Chen , John Canny

"Particle methods" are sequential Monte Carlo algorithms, typically involving importance sampling, that are used to estimate and sample from joint and marginal densities from a collection of a, presumably increasing, number of random…

Computation · Statistics 2014-07-17 J. N. Corcoran , D. Jennings

Modern parallel computing devices, such as the graphics processing unit (GPU), have gained significant traction in scientific and statistical computing. They are particularly well-suited to data-parallel algorithms such as the particle…

Computation · Statistics 2015-06-12 Lawrence M. Murray , Anthony Lee , Pierre E. Jacob

Sampling-based algorithms are classical approaches to perform Bayesian inference in inverse problems. They provide estimators with the associated credibility intervals to quantify the uncertainty on the estimators. Although these methods…

Methodology · Statistics 2023-11-28 Pierre-Antoine Thouvenin , Audrey Repetti , Pierre Chainais

An efficient simulation-based methodology is proposed for the rolling window estimation of state space models, called particle rolling Markov chain Monte Carlo (MCMC) with double block sampling. In our method, which is based on Sequential…

Computation · Statistics 2021-09-17 Naoki Awaya , Yasuhiro Omori

Diffusion models have recently achieved success in solving Bayesian inverse problems with learned data priors. Current methods build on top of the diffusion sampling process, where each denoising step makes small modifications to samples…

Machine Learning · Computer Science 2025-08-19 Bingliang Zhang , Wenda Chu , Julius Berner , Chenlin Meng , Anima Anandkumar , Yang Song

This paper focuses on Sequential Monte Carlo approximations of smoothing distributions in conditionally linear and Gaussian state spaces. To reduce Monte Carlo variance of smoothers, it is typical in these models to use…

Methodology · Statistics 2017-09-13 Ngoc Minh Nguyen , Sylvain Le Corff , Eric Moulines

We propose a generic confidence-based approximation that can be plugged in and simplify the auto-regressive generation process with a proved convergence. We first assume that the priors of future samples can be generated in an independently…

Machine Learning · Computer Science 2019-10-16 YoungJoon Yoo , Sanghyuk Chun , Sangdoo Yun , Jung-Woo Ha , Jaejun Yoo

The Partially Collapsed Gibbs (PCG) sampler offers a new strategy for improving the convergence of a Gibbs sampler. PCG achieves faster convergence by reducing the conditioning in some of the draws of its parent Gibbs sampler. Although this…

Computation · Statistics 2016-02-19 David A. van Dyk , Xiyun Jiao
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