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An efficient parallelization approach to simulate optical properties of ensembles of quantum emitters in realistic electromagnetic environments is considered. It relies on balancing computing load of utilized processors and is built into…

Computational Physics · Physics 2023-02-01 Maxim Sukharev

The particle Gibbs sampler is a Markov chain Monte Carlo (MCMC) algorithm to sample from the full posterior distribution of a state-space model. It does so by executing Gibbs sampling steps on an extended target distribution defined on the…

Computation · Statistics 2015-07-29 Nicolas Chopin , Sumeetpal S. Singh

We present a new notion of probabilistic duality for random variables involving mixture distributions. Using this notion, we show how to implement a highly-parallelizable Gibbs sampler for weakly coupled discrete pairwise graphical models…

Machine Learning · Computer Science 2016-11-23 Lars Mescheder , Sebastian Nowozin , Andreas Geiger

We present a performant, general-purpose gradient-guided nested sampling algorithm, ${\tt GGNS}$, combining the state of the art in differentiable programming, Hamiltonian slice sampling, clustering, mode separation, dynamic nested…

Machine Learning · Computer Science 2023-12-08 Pablo Lemos , Nikolay Malkin , Will Handley , Yoshua Bengio , Yashar Hezaveh , Laurence Perreault-Levasseur

This paper presents an algorithm for sampling random variables that allows to separation of the sampling process into subproblems by dividing the sample space into overlapping parts. The subproblems can be solved independently of each other…

Computation · Statistics 2016-01-26 Jonas Hallgren , Timo Koski

We study the convergence properties of the Gibbs Sampler in the context of posterior distributions arising from Bayesian analysis of conditionally Gaussian hierarchical models. We develop a multigrid approach to derive analytic expressions…

Computation · Statistics 2019-06-27 Giacomo Zanella , Gareth Roberts

Log-linear models are arguably the most successful class of graphical models for large-scale applications because of their simplicity and tractability. Learning and inference with these models require calculating the partition function,…

Machine Learning · Statistics 2017-03-16 Ryan Spring , Anshumali Shrivastava

The inadequate mixing of conventional Markov Chain Monte Carlo (MCMC) methods for multi-modal distributions presents a significant challenge in practical applications such as Bayesian inference and molecular dynamics. Addressing this, we…

Machine Learning · Statistics 2024-05-30 Wenlin Chen , Mingtian Zhang , Brooks Paige , José Miguel Hernández-Lobato , David Barber

Stochastic differential equation mixed-effects models (SDEMEMs) are flexible hierarchical models that are able to account for random variability inherent in the underlying time-dynamics, as well as the variability between experimental units…

Computation · Statistics 2021-01-22 Samuel Wiqvist , Andrew Golightly , Ashleigh T. McLean , Umberto Picchini

We study Bayesian estimation of mixture models and argue in favor of fitting the marginal posterior distribution over component assignments directly, rather than Gibbs sampling from the joint posterior on components and parameters as is…

Computation · Statistics 2025-11-03 M. E. J. Newman

Approximating the partition function of the ferromagnetic Ising model with general external fields is known to be #BIS-hard in the worst case, even for bounded-degree graphs, and it is widely believed that no polynomial-time approximation…

Data Structures and Algorithms · Computer Science 2021-08-27 Tyler Helmuth , Holden Lee , Will Perkins , Mohan Ravichandran , Qiang Wu

The Graph Convolutional Network (GCN) model and its variants are powerful graph embedding tools for facilitating classification and clustering on graphs. However, a major challenge is to reduce the complexity of layered GCNs and make them…

Machine Learning · Computer Science 2020-08-06 Hanqing Zeng , Hongkuan Zhou , Ajitesh Srivastava , Rajgopal Kannan , Viktor Prasanna

We give polynomial-time algorithms for the exact computation of lowest-energy (ground) states, worst margin violators, log partition functions, and marginal edge probabilities in certain binary undirected graphical models. Our approach…

Machine Learning · Computer Science 2009-09-29 Nicol N. Schraudolph , Dmitry Kamenetsky

Bayesian feature allocation models are a popular tool for modelling data with a combinatorial latent structure. Exact inference in these models is generally intractable and so practitioners typically apply Markov Chain Monte Carlo (MCMC)…

Computation · Statistics 2020-01-28 Alexandre Bouchard-Côté , Andrew Roth

This article introduces a highly parallel algorithm for molecular dynamics simulations with short-range forces on single node multi- and many-core systems. The algorithm is designed to achieve high parallel speedups for strongly…

Computational Physics · Physics 2013-11-20 R. Meyer

Machine learning potentials have achieved great success in accelerating atomistic simulations. Many of them relying on atom-centered local descriptors are natural for parallelization. More recent message passing neural network (MPNN) models…

Chemical Physics · Physics 2025-06-10 Junfan Xia , Bin Jiang

We implemented a parallel version of the multicanonical algorithm and applied it to a variety of systems with phase transitions of first and second order. The parallelization relies on independent equilibrium simulations that only…

Computational Physics · Physics 2015-01-27 Johannes Zierenberg , Martin Marenz , Wolfhard Janke

Gibbs sampling is a widely used Markov chain Monte Carlo (MCMC) method for numerically approximating integrals of interest in Bayesian statistics and other mathematical sciences. Many implementations of MCMC methods do not extend easily to…

Computation · Statistics 2019-06-03 Alexander Terenin , Shawfeng Dong , David Draper

The Circuit Localization track of the Mechanistic Interpretability Benchmark (MIB) evaluates methods for localizing circuits within large language models (LLMs), i.e., subnetworks responsible for specific task behaviors. In this work, we…

A spatial photonic Ising machine (SPIM) handles large-scale combinatorial optimization problems owing to optical processing with spatial parallelism. However, iterative feedback in the search for optimal solutions limits processing speed…

Optics · Physics 2025-02-27 Suguru Shimomura , Jun Tanida , Yusuke Ogura