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Due to a hard dependency between time steps, large-scale simulations of gas using the Direct Simulation Monte Carlo (DSMC) method proceed at the pace of the slowest processor. Scalability is therefore achievable only by ensuring that the…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-02-19 William McDoniel , Paolo Bientinesi

The recent introduction of machine learning techniques, especially normalizing flows, for the sampling of lattice gauge theories has shed some hope on improving the sampling efficiency of the traditional HMC algorithm. Naive use of…

High Energy Physics - Lattice · Physics 2022-12-06 David Albandea , Luigi Del Debbio , Pilar Hernández , Richard Kenway , Joe Marsh Rossney , Alberto Ramos

We propose a Multi-level Monte Carlo technique to accelerate Monte Carlo sampling for approximation of properties of materials with random defects. The computational efficiency is investigated on test problems given by tight-binding models…

Numerical Analysis · Mathematics 2016-11-30 Petr Plecháč , Erik von Schwerin

For an even integer t \geq 2, the Matchings Connecivity matrix H_t is a matrix that has rows and columns both labeled by all perfect matchings of the complete graph K_t on t vertices; an entry H_t[M_1,M_2] is 1 if M_1\cup M_2 is a…

Data Structures and Algorithms · Computer Science 2012-11-08 Marek Cygan , Stefan Kratsch , Jesper Nederlof

We present a Hamiltonian Monte Carlo algorithm to sample from multivariate Gaussian distributions in which the target space is constrained by linear and quadratic inequalities or products thereof. The Hamiltonian equations of motion can be…

Computation · Statistics 2013-06-06 Ari Pakman , Liam Paninski

Hamiltonian Monte Carlo is a powerful algorithm for sampling from difficult-to-normalize posterior distributions. However, when the geometry of the posterior is unfavorable, it may take many expensive evaluations of the target distribution…

We propose an improved Path Integral Monte Carlo (PIMC) algorithm called Harmonic PIMC (H-PIMC) and its generalization, Mixed PIMC (M-PIMC). PIMC is a powerful tool for studying quantum condensed phases. However, it often suffers from a low…

Computational Physics · Physics 2026-05-22 Sourav Karmakar , Sutirtha Paul , Adrian Del Maestro , Barak Hirshberg

We discuss algorithms for domain wall fermions focussing on accelerating Hybrid Monte Carlo sampling of gauge configurations. Firstly a new multigrid algorithm for domain wall solvers and secondly a domain decomposed hybrid monte carlo…

High Energy Physics - Lattice · Physics 2022-04-01 Peter A Boyle , Dennis Bollweg , Christopher Kelly , Azusa Yamaguchi

A hybrid Monte Carlo (HMC) approach is employed to quantify the influence of inelastic deformation on the microstructural evolution of polycrystalline materials. This approach couples a time explicit material point method (MPM) for…

Materials Science · Physics 2015-05-19 Liangzhe Zhang , Remi Dingreville , Timothy Bartel , Mark T. Lusk

Orthogonalized-momentum optimizers such as Muon improve transformer training by approximately whitening/orthogonalizing matrix-valued momentum updates via a short polar-decomposition iteration. However, polar-factor approximations typically…

Machine Learning · Computer Science 2026-03-19 Ben S. Southworth , Stephen Thomas

Recent progress on the theory of variational hypocoercivity established that Randomized Hamiltonian Monte Carlo -- at criticality -- can achieve pronounced acceleration in its convergence and hence sampling performance over diffusive…

Statistics Theory · Mathematics 2025-07-18 Stefan Oberdörster

The present paper studies mathematical models for representing, imaging, and analyzing polycrystalline materials. We introduce various techniques for converting grain maps into diagram or tessellation representations that rely on…

Numerical Analysis · Mathematics 2022-05-16 Andreas Alpers , Maximilian Fiedler , Peter Gritzmann , Fabian Klemm

Joint deconvolution and segmentation of ultrasound images is a challenging problem in medical imaging. By adopting a hierarchical Bayesian model, we propose an accelerated Markov chain Monte Carlo scheme where the tissue reflectivity…

Image and Video Processing · Electrical Eng. & Systems 2020-01-23 Corbineau Marie-Caroline , Kouamé Denis , Chouzenoux Emilie , Tourneret Jean-Yves , Pesquet Jean-Christophe

We present a Monte Carlo method for computing the renormalized coupling constants and the critical exponents within renormalization theory. The scheme, which derives from a variational principle, overcomes critical slowing down, by means of…

Statistical Mechanics · Physics 2017-12-06 Yantao Wu , Roberto Car

Monte Carlo Localization is a widely used approach in the field of mobile robotics. While this problem has been well studied in the 2D case, global localization in 3D maps with six degrees of freedom has so far been too computationally…

Robotics · Computer Science 2023-10-09 Marc Eisoldt , Alexander Mock , Mario Porrmann , Thomas Wiemann

Variational inference lies at the core of many state-of-the-art algorithms. To improve the approximation of the posterior beyond parametric families, it was proposed to include MCMC steps into the variational lower bound. In this work we…

Machine Learning · Statistics 2016-09-28 Christopher Wolf , Maximilian Karl , Patrick van der Smagt

Marginal MAP inference involves making MAP predictions in systems defined with latent variables or missing information. It is significantly more difficult than pure marginalization and MAP tasks, for which a large class of efficient and…

Machine Learning · Computer Science 2015-11-10 Wei Ping , Qiang Liu , Alexander Ihler

We aim at an explicit characterization of the renormalized Hamiltonian after decimation transformation of a one-dimensional Ising-type Hamiltonian with a nearest-neighbor interaction and a magnetic field term. To facilitate a deeper…

Statistical Mechanics · Physics 2015-06-05 Mei Yin

The dual-fermion approach provides a formally exact prescription for calculating properties of a correlated electron system in terms of a diagrammatic expansion around dynamical mean-field theory (DMFT). Most practical implementations,…

Strongly Correlated Electrons · Physics 2017-08-02 Jan Gukelberger , Evgeny Kozik , Hartmut Hafermann

We propose a modified coupled cluster Monte Carlo algorithm that stochastically samples connected terms within the truncated Baker--Campbell--Hausdorff expansion of the similarity transformed Hamiltonian by construction of coupled cluster…

Chemical Physics · Physics 2019-06-19 Charles J. C. Scott , Roberto Di Remigio , T. Daniel Crawford , Alex J. W. Thom