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We develop a novel multilevel asymptotic-preserving Monte Carlo method, called Multilevel Kinetic-Diffusion Monte Carlo (ML-KDMC), for simulating the kinetic Boltzmann transport equation with a Bhatnagar-Gross-Krook (BGK) collision…

Numerical Analysis · Mathematics 2020-10-23 Bert Mortier , Pieterjan Robbe , Martine Baelmans , Giovanni Samaey

Self-learning Monte Carlo (SLMC) method is a general algorithm to speedup MC simulations. Its efficiency has been demonstrated in various systems by introducing an effective model to propose global moves in the configuration space. In this…

Strongly Correlated Electrons · Physics 2018-06-06 Huitao Shen , Junwei Liu , Liang Fu

A deterministic-stochastic coupling scheme is developed for simulating rarefied gas flows, where the key process is the alternative solving of the macroscopic synthetic equations [Su et al., J. Comput. Phys., 407 (2020) 109245] and the…

Computational Physics · Physics 2024-06-26 Liyan Luo , Qi Li , Fei Fei , Lei Wu

We present Neural Stochastic Contraction Metrics (NSCM), a new design framework for provably-stable robust control and estimation for a class of stochastic nonlinear systems. It uses a spectrally-normalized deep neural network to construct…

Machine Learning · Computer Science 2021-01-05 Hiroyasu Tsukamoto , Soon-Jo Chung , Jean-Jacques E. Slotine

Ab initio quantum Monte Carlo (QMC) methods are state-of-the-art electronic structure calculations based on highly parallelizable stochastic frameworks for accurate solutions of the many-body Schr{\"o}dinger equation, suitable for modern…

Chemical Physics · Physics 2026-04-07 Kousuke Nakano , Stefano Battaglia , Jürg Hutter

In this work, we introduce a simple modification of the Monte Carlo algorithm, which we call step Monte Carlo (sMC). The sMC approach allows to simulate processes far from equilibrium and obtain information about the dynamic properties of…

Other Condensed Matter · Physics 2023-12-15 Dariusz Sztenkiel

Correlated fermions are of high interest in condensed matter (Fermi liquids, Wigner molecules), cold atomic gases and dense plasmas. Here we propose a novel approach to path integral Monte Carlo (PIMC) simulations of strongly degenerate…

Quantum Gases · Physics 2016-01-15 Tobias Dornheim , Simon Groth , Alexey Filinov , Michael Bonitz

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

We propose an operator learning approach to accelerate geometric Markov chain Monte Carlo (MCMC) for solving infinite-dimensional Bayesian inverse problems (BIPs). While geometric MCMC employs high-quality proposals that adapt to posterior…

Numerical Analysis · Mathematics 2024-05-21 Lianghao Cao , Thomas O'Leary-Roseberry , Omar Ghattas

A quantum interatomic scattering is implemented in the direct simulation Monte Carlo (DSMC) method applied to transport phenomena in rarefied gases. In contrast to the traditional DSMC method based on the classical scattering, the proposed…

Computational Physics · Physics 2025-07-16 Felix Sharipov

Particle-in-cell methods with stochastic collision models are commonly used to simulate collisional plasma dynamics, with applications ranging from hypersonic flight to semiconductor manufacturing. Code verification of such methods is…

Computational Physics · Physics 2026-05-26 Brian A. Freno , William J. McDoniel , Christopher H. Moore , Neil R. Matula

We consider the problem of estimating the probability of a large loss from a financial portfolio, where the future loss is expressed as a conditional expectation. Since the conditional expectation is intractable in most cases, one may…

Numerical Analysis · Mathematics 2020-11-25 Zhenghang Xu , Zhijian He , Xiaoqun Wang

The high dimensionality of kinetic equations with stochastic parameters poses major computational challenges for uncertainty quantification (UQ). Traditional Monte Carlo (MC) sampling methods, while widely used, suffer from slow convergence…

Numerical Analysis · Mathematics 2025-06-13 Wei Chen , Giacomo Dimarco , Lorenzo Pareschi

The stochastic simulation algorithm (SSA) and the corresponding Monte Carlo (MC) method are among the most common approaches for studying stochastic processes. They rely on knowledge of interevent probability density functions (PDFs) and on…

Computation · Statistics 2024-02-12 S. Rusconi , E. Akhmatskaya , D. Sokolovski , N. Ballard , J. C. de la Cal

The computational cost of traditional first-principles method quickly becomes prohibitively expensive as the number of atoms increases. This challenge is further amplified by the need to evaluate finite-temperature properties with Monte…

Materials Science · Physics 2025-08-13 Xianglin Liu , Kai Yang , Yongxiang Liu , Fanli Zhou , Dengdong Fan , Zongrui Pei , Pengxiang Xu , Yonghong Tian

In this paper, we focus on the construction of a hybrid scheme for the approximation of non-Maxwellian kinetic models with uncertainties. In the context of multiagent systems, the introduction of a kernel at the kinetic level is useful to…

Numerical Analysis · Mathematics 2022-07-14 Andrea Medaglia , Andrea Tosin , Mattia Zanella

We describe collective-move Monte Carlo algorithms designed to approximate the overdamped dynamics of self-assembling nanoscale components equipped with strong, short-ranged and anisotropic interactions. Conventional Monte Carlo simulations…

Statistical Mechanics · Physics 2012-04-16 Stephen Whitelam

Stochastic gradient Markov chain Monte Carlo (SG-MCMC) methods are Bayesian analogs to popular stochastic optimization methods; however, this connection is not well studied. We explore this relationship by applying simulated annealing to an…

Machine Learning · Statistics 2016-08-08 Changyou Chen , David Carlson , Zhe Gan , Chunyuan Li , Lawrence Carin

Monte Carlo (MC) simulations are the standard tool for describing jet-like multi-particle final states. To apply them to the simulation of medium-modified jets in heavy ion collisions, a probabilistic implementation of medium-induced…

High Energy Physics - Phenomenology · Physics 2011-08-03 Korinna Christine Zapp , Johanna Stachel , Urs Achim Wiedemann

Advanced algorithms are necessary to obtain faster-than-real-time dynamic simulations in a number of different physical problems that are characterized by widely disparate time scales. Recent advanced dynamic Monte Carlo algorithms that…

Materials Science · Physics 2016-11-23 M. A. Novotny
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