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Markov Chain Monte Carlo methods are algorithms used to sample probability distributions, commonly used to sample the Boltzmann distribution of physical/chemical models (e.g., protein folding, Ising model, etc.). This allows us to study…

分布式、并行与集群计算 · 计算机科学 2025-12-04 Aingeru Ramos , Jose A Pascual , Javier Navaridas , Ivan Coluzza

The entanglement entropy probing novel phases and phase transitions numerically via quantum Monte Carlo has made great achievements in large-scale interacting spin/boson systems. In contrast, the numerical exploration in interacting fermion…

统计力学 · 物理学 2025-05-15 Weilun Jiang , Gaopei Pan , Zhe Wang , Bin-Bin Mao , Heng Shen , Zheng Yan

An efficient Path Integral Monte Carlo procedure is proposed to simulate the behavior of quantum many-body dissipative systems described within the framework of the influence functional. Thermodynamic observables are obtained by Monte Carlo…

统计力学 · 物理学 2009-11-07 Luca Capriotti , Alessandro Cuccoli , Andrea Fubini , Valerio Tognetti , Ruggero Vaia

This paper proposes an efficient method for the simultaneous estimation of the state of a quantum system and the classical parameters that govern its evolution. This hybrid approach benefits from efficient numerical methods for the…

量子物理 · 物理学 2017-11-08 Jason F Ralph , Simon Maskell , Kurt Jacobs

We present numerically exact continuous-time Quantum Monte Carlo algorithm for fermions with a general non-local in space-time interaction. The new determinantal grand-canonical scheme is based on a stochastic series expansion for the…

强关联电子 · 物理学 2009-11-10 A. N. Rubtsov , V. V. Savkin , A. I. Lichtenstein

Monte Carlo (MC) simulations are essential computational approaches with widespread use throughout all areas of science. We present a method for accelerating lattice MC simulations using fully connected and convolutional artificial neural…

强关联电子 · 物理学 2019-07-31 Shaozhi Li , Philip M. Dee , Ehsan Khatami , Steven Johnston

MCMC algorithms offer empirically efficient tools for sampling from a target distribution $\pi(x) \propto \exp(-V(x))$. However, on the theory side, MCMC algorithms suffer from slow mixing rate when $\pi(x)$ is non-log-concave. Our work…

机器学习 · 计算机科学 2024-01-17 Xiang Cheng , Bohan Wang , Jingzhao Zhang , Yusong Zhu

Markov chain Monte Carlo methods are a powerful tool for sampling equilibrium configurations in complex systems. One problem these methods often face is slow convergence over large energy barriers. In this work, we propose a novel method…

计算物理 · 物理学 2024-05-29 Luigi Sbailò , Manuel Dibak , Frank Noé

Recently, Velazquez and Curilef have proposed a methodology to extend Monte Carlo algorithms based on canonical ensemble, which is aimed to overcome slow sampling problems associated with temperature-driven discontinuous phase transitions.…

统计力学 · 物理学 2013-07-31 L. Velazquez , J. C. Castro-Palacio

An efficient continuous-time path-integral Quantum Monte Carlo algorithm for the lattice polaron is presented. It is based on Feynman's integration of phonons and subsequent simulation of the resulting single-particle self-interacting…

强关联电子 · 物理学 2009-10-31 P E Kornilovitch

The Metropolis-Hastings method is often used to construct a Markov chain with a given $\pi$ as its stationary distribution. The method works even if $\pi$ is known only up to an intractable constant of proportionality. Polynomial time…

统计理论 · 数学 2019-09-27 David Pollard , Dana Yang

Markov Chain Monte Carlo (MCMC) sampling methods are widely used but often encounter either slow convergence or biased sampling when applied to multimodal high dimensional distributions. In this paper, we present a general framework of…

统计计算 · 统计学 2017-09-12 Ricky Fok , Aijun An , Xiaogang Wang

We present an efficient quantum circuit for block encoding pairing Hamiltonian often studied in nuclear physics. Our block encoding scheme does not require mapping the creation and annihilation operators to the Pauli operators and…

核理论 · 物理学 2024-02-22 Diyi Liu , Weijie Du , Lin Lin , James P. Vary , Chao Yang

When implementing Markov Chain Monte Carlo (MCMC) algorithms, perturbation caused by numerical errors is sometimes inevitable. This paper studies how perturbation of MCMC affects the convergence speed and Monte Carlo estimation accuracy.…

统计计算 · 统计学 2026-01-14 Tiangang Cui , Jing Dong , Ajay Jasra , Xin T. Tong

In this work we present a novel quantum Monte-Carlo method for fermions, based on an exact decomposition of the Boltzmann operator $exp(-\beta H)$. It can be seen as a synthesis of several related methods. It has the advantage that it is…

强关联电子 · 物理学 2009-10-31 S. Rombouts , K. Heyde , N. Jachowicz

We put forward a Monte Carlo algorithm that samples the Euclidean time operator growth dynamics at infinite temperature. Crucially, our approach is free from the numerical sign problem for a broad family of quantum many-body spin systems,…

强关联电子 · 物理学 2024-11-26 Ayush De , Umberto Borla , Xiangyu Cao , Snir Gazit

Hamiltonian Monte Carlo (HMC) is an efficient Bayesian sampling method that can make distant proposals in the parameter space by simulating a Hamiltonian dynamical system. Despite its popularity in machine learning and data science, HMC is…

机器学习 · 统计学 2020-09-02 Ziming Liu , Zheng Zhang

We develop generalization of the fixed-phase diffusion Monte Carlo method for Hamiltonians which explicitly depend on particle spins such as for spin-orbit interactions. The method is formulated in zero variance manner and is similar to…

强关联电子 · 物理学 2016-04-13 Cody A. Melton , Minyi Zhu , Shi Guo , Alberto Ambrosetti , Francesco Pederiva , Lubos Mitas

The advantages of using Multi-Step corrections for simulations of lattice gauge theories with dynamical fermions will be discussed. This technique is suited for algorithms based on the Multi-Boson representation of the dynamical fermions as…

高能物理 - 格点 · 物理学 2008-11-26 Enno E. Scholz , Istvan Montvay

We present a polynomial-time Markov chain Monte Carlo algorithm for estimating the partition function of the antiferromagnetic Ising model on any line graph. The analysis of the algorithm exploits the "winding" technology devised by…

数据结构与算法 · 计算机科学 2021-03-17 Martin Dyer , Marc Heinrich , Mark Jerrum , Haiko Müller