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Machine-learning (ML) ans\"atze have greatly expanded the accuracy and reach of variational quantum Monte Carlo (QMC) calculations, in particular when exploring the manifold quantum phenomena exhibited by spin systems. However, the…

量子物理 · 物理学 2025-11-24 Manuel Gallego , Sebastián Roca-Jerat , David Zueco , Jesús Carrete

The dipolar universality class describes the phase transition in 3D ferromagnets with strong dipolar interactions, as first discussed by Aharony and Fisher in the 1970s. While this universality class has been studied theoretically using…

高能物理 - 理论 · 物理学 2026-05-13 Akira Matsumoto , Yu Nakayama , Toshiki Onagi , Slava Rychkov

We present a general sample reweighting scheme and its underlying theory for the integration of an unknown function with low dimensionality. Our method produces better results than standard weighting schemes for common sampling strategies,…

图形学 · 计算机科学 2019-08-07 Jerry Jinfeng Guo , Elmar Eisemann

Irreversible and rejection-free Monte Carlo methods, recently developed in Physics under the name Event-Chain and known in Statistics as Piecewise Deterministic Monte Carlo (PDMC), have proven to produce clear acceleration over standard…

统计计算 · 统计学 2020-04-28 Manon Michel , Alain Durmus , Stéphane Sénécal

The self-learning Metropolis-Hastings algorithm is a powerful Monte Carlo method that, with the help of machine learning, adaptively generates an easy-to-sample probability distribution for approximating a given hard-to-sample distribution.…

量子物理 · 物理学 2021-01-04 Katsuhiro Endo , Taichi Nakamura , Keisuke Fujii , Naoki Yamamoto

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

Standard Monte Carlo computation is widely known to exhibit a canonical square-root convergence speed in terms of sample size. Two recent techniques, one based on control variate and one on importance sampling, both derived from an…

统计计算 · 统计学 2023-03-13 Henry Lam , Haofeng Zhang

Sequential Monte Carlo (SMC) methods are a class of Monte Carlo methods that are used to obtain random samples of a high dimensional random variable in a sequential fashion. Many problems encountered in applications often involve different…

统计方法学 · 统计学 2018-12-20 Chencheng Cai , Rong Chen , Ming Lin

World-line quantum Monte Carlo methods are reviewed with an emphasis on breakthroughs made in recent years. In particular, three algorithms -- the loop algorithm, the worm algorithm, and the directed-loop algorithm -- for updating…

无序系统与神经网络 · 物理学 2009-11-10 Naoki Kawashima , Kenji Harada

The quantum Monte Carlo methods represent a powerful and broadly applicable computational tool for finding very accurate solutions of the stationary Schroedinger equation for atoms, molecules, solids and a variety of model systems. The…

计算物理 · 物理学 2011-01-28 Jindrich Kolorenc , Lubos Mitas

In this paper, we present a cluster algorithm for the simulation of hard spheres and related systems. In this algorithm, a copy of the configuration is rotated with respect to a randomly chosen pivot point. The two systems are then…

统计力学 · 物理学 2008-02-03 Christophe Dress , Werner Krauth

Clustering is one of the fundamental tasks in data analytics and machine learning. In many situations, different clusterings of the same data set become relevant. For example, different algorithms for the same clustering task may return…

最优化与控制 · 数学 2020-04-06 Steffen Borgwardt , Charles Viss

We consider a new formulation of the stochastic coupled cluster method in terms of the similarity transformed Hamiltonian. We show that improvement in the granularity with which the wavefunction is represented results in a reduction in the…

化学物理 · 物理学 2016-02-02 Ruth S. T. Franklin , James S. Spencer , Alberto Zoccante , Alex J. W. Thom

Sequential Monte Carlo (SMC) methods offer a principled approach to Bayesian uncertainty quantification but are traditionally limited by the need for full-batch gradient evaluations. We introduce a scalable variant by incorporating…

机器学习 · 统计学 2025-05-20 Andrew Millard , Zheng Zhao , Joshua Murphy , Simon Maskell

In this paper we introduce and discuss numerical schemes for the approximation of kinetic equations for flocking behavior with phase transitions that incorporate uncertain quantities. This class of schemes here considered make use of a…

数值分析 · 数学 2019-10-31 Jose Antonio Carrillo , Mattia Zanella

We recently demonstrated that standard fixed-time lattice random-walk models cannot be modified to properly represent biased diffusion processes in more than two dimensions. The origin of this fundamental limitation appears to be the fact…

数据分析、统计与概率 · 物理学 2009-11-10 Michel G. Gauthier , Gary W. Slater

We propose a variant of the Simulated Annealing method for optimization in the multivariate analysis of differentiable functions. The method uses global actualizations via the Hybrid Monte Carlo algorithm in their generalized version for…

统计力学 · 物理学 2009-10-30 R. Salazar , R. Toral

We generalize the multilevel Monte Carlo (MLMC) method of Giles to the simulation of systems of particles that interact via a mean field. When the number of particles is large, these systems are described by a McKean-Vlasov process - a…

数值分析 · 数学 2015-08-11 L. F. Ricketson

We present a self consistent method based on cluster algorithms and Renormalization Group on the lattice to study critical systems numerically. We illustrate it by means of the 2D Ising model. We compute the critical exponents $\nu$ and…

统计力学 · 物理学 2009-12-01 Guillermo Palma , David Zambrano

This paper concerns the use of sequential Monte Carlo methods (SMC) for smoothing in general state space models. A well-known problem when applying the standard SMC technique in the smoothing mode is that the resampling mechanism introduces…

统计理论 · 数学 2008-03-06 Jimmy Olsson , Olivier Cappé , Randal Douc , Eric Moulines