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Quantum Monte Carlo (QMC) is an advanced simulation methodology for studies of manybody quantum systems. In this review, we focus on the electronic structure QMC, i.e., methods relevant for systems described by the electron-ion…

其他凝聚态物理 · 物理学 2010-08-16 Michal Bajdich , Lubos Mitas

In statistical analysis, Monte Carlo (MC) stands as a classical numerical integration method. When encountering challenging sample problem, Markov chain Monte Carlo (MCMC) is a commonly employed method. However, the MCMC estimator is biased…

数值分析 · 数学 2024-11-05 Jiarui Du , Zhijian He

We extend the newly proposed probability-changing cluster (PCC) Monte Carlo algorithm to the study of systems with the vector order parameter. Wolff's idea of the embedded cluster formalism is used for assigning clusters. The…

统计力学 · 物理学 2009-11-07 Yusuke Tomita , Yutaka Okabe

The auxiliary field quantum Monte Carlo (AFQMC) method has been a workhorse in the field of strongly correlated electrons for a long time and has found its most recent implementation in the ALF package (https://alf.physik.uni-wuerzburg.de).…

强关联电子 · 物理学 2020-09-11 Florian Goth

Markov chain Monte Carlo (MCMC) is one of the main workhorses of probabilistic inference, but it is notoriously hard to measure the quality of approximate posterior samples. This challenge is particularly salient in black box inference…

机器学习 · 计算机科学 2016-06-08 Roger B. Grosse , Siddharth Ancha , Daniel M. Roy

We show how simple kinks and jumps of otherwise smooth integrands over $\mathbb{R}^d$ can be dealt with by a preliminary integration with respect to a single well chosen variable. It is assumed that this preintegration, or conditional…

数值分析 · 数学 2017-12-05 Andreas Griewank , Frances Y. Kuo , Hernan Leövey , Ian H. Sloan

Quantum Monte Carlo (QMC) techniques are widely used in a variety of scientific problems and much work has been dedicated to developing optimized algorithms that can accelerate QMC on standard processors (CPU). With the advent of various…

量子物理 · 物理学 2023-04-28 Shuvro Chowdhury , Kerem Y. Camsari , Supriyo Datta

We establish the geometric ergodicity of the preconditioned Hamiltonian Monte Carlo (HMC) algorithm defined on an infinite-dimensional Hilbert space, as developed in [Beskos et al., Stochastic Process. Appl., 2011]. This algorithm can be…

统计理论 · 数学 2020-03-19 Nathan E. Glatt-Holtz , Cecilia F. Mondaini

We study multivariate integration and approximation for functions belonging to a weighted reproducing kernel Hilbert space based on half-period cosine functions in the worst-case setting. The weights in the norm of the function space depend…

数值分析 · 数学 2015-11-23 Christian Irrgeher , Peter Kritzer , Friedrich Pillichshammer

A finite set of integers $A$ tiles the integers by translations if $\mathbb{Z}$ can be covered by pairwise disjoint translated copies of $A$. Restricting attention to one tiling period, we have $A\oplus B=\mathbb{Z}_M$ for some…

组合数学 · 数学 2022-03-09 Izabella Laba , Itay Londner

Quantum lattice models with large local Hilbert spaces emerge across various fields in quantum many-body physics. Problems such as the interplay between fermions and phonons, the BCS-BEC crossover of interacting bosons, or decoherence in…

强关联电子 · 物理学 2021-04-26 Thomas Köhler , Jan Stolpp , Sebastian Paeckel

We consider the application of a quasi-Monte Carlo cubature rule to Bayesian shape inversion subject to the Poisson equation under Gevrey regular parameterizations of domain uncertainty. We analyze the parametric regularity of the…

数值分析 · 数学 2025-06-25 Ana Djurdjevac , Vesa Kaarnioja , Max Orteu , Claudia Schillings

Matrix approximations are a key element in large-scale algebraic machine learning approaches. The recently proposed method MEKA (Si et al., 2014) effectively employs two common assumptions in Hilbert spaces: the low-rank property of an…

机器学习 · 计算机科学 2022-01-21 Simon Heilig , Maximilian Münch , Frank-Michael Schleif

Solving partial differential equations in high dimensions by deep neural network has brought significant attentions in recent years. In many scenarios, the loss function is defined as an integral over a high-dimensional domain. Monte-Carlo…

数值分析 · 数学 2019-11-06 Jingrun Chen , Rui Du , Panchi Li , Liyao Lyu

We have reformulated the quantum Monte Carlo (QMC) technique so that a large part of the calculation scales linearly with the number of atoms. The reformulation is related to a recent alternative proposal for achieving linear-scaling QMC,…

其他凝聚态物理 · 物理学 2016-08-31 D. Alfe` , M. J. Gillan

Finite-temperature phase transitions in quasi-one-dimensional quarter-filled systems are investigated by the extended Hubbard model with electron-lattice coupling. Using a quantum Monte Carlo method combined with the inter-chain mean-field…

强关联电子 · 物理学 2008-11-11 Yuichi Otsuka , Hitoshi Seo , Yukitoshi Motome , Takeo Kato

We derive two families of EA-QC quantum LDPC (EA-QC-QLDPC) codes by tiling permutation matrices of prime and composite orders. The unassisted portion of the Tanner graphs corresponding to these codes, constructed from two distinct classical…

信息论 · 计算机科学 2025-11-04 Pavan Kumar , Abhi Kumar Sharma , Shayan Srinivasa Garani

Monte Carlo methods play a central role in particle physics, where they are indispensable for simulating scattering processes, modeling detector responses, and performing multi-dimensional integrals. However, traditional Monte Carlo methods…

量子物理 · 物理学 2025-10-14 Heechan Yi , Kayoung Ban , Myeonghun Park , Kyoungchul Kong

We use the stochastic series expansion quantum Monte Carlo method to study the Heisenberg models on the square lattice with strong and weak couplings in the form of three different plaquette arrangements known as checkerboard models…

强关联电子 · 物理学 2019-05-30 Xiaoxue Ran , Nvsen Ma , Dao-Xin Yao

We propose the quasi-Monte Carlo method for linear combination of unitaries via classical post-processing (LCU-CPP) on quantum applications. The LCU-CPP framework has been proposed as an approach to reduce hardware resources, expressing a…

量子物理 · 物理学 2026-04-21 Yuya Kawamata , Kosuke Mitarai , Keisuke Fujii
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