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Strongly correlated fermionic systems are of great interest in condensed matter physics and numerical methods are indispensable tools for their study. However, existing approaches such as exact diagonalization (ED) and stochastic quantum…

Strongly Correlated Electrons · Physics 2026-03-19 Finn L. Temmen , Martina Gisti , David J. Luitz , Thomas Luu , Johann Ostmeyer

Sampling lattice field theories near criticality is severely hindered by critical slowing down, which makes standard Markov chain methods increasingly inefficient at large lattice volumes. We introduce a multiscale generative sampler,…

High Energy Physics - Lattice · Physics 2026-04-14 A. Singha , J. Kauffmann , E. Cellini , K. Jansen , S. Nakajima

Because of the mass gap, lattice QCD simulations exhibit stochastic locality: distant regions of the lattice fluctuate independently. There is a long history of exploiting this to increase statistics by obtaining multiple…

High Energy Physics - Lattice · Physics 2023-12-01 Mattia Bruno , Marco Cè , Anthony Francis , Patrick Fritzsch , Jeremy R. Green , Maxwell T. Hansen , Antonio Rago

A Markov chain update scheme using a machine-learned flow-based generative model is proposed for Monte Carlo sampling in lattice field theories. The generative model may be optimized (trained) to produce samples from a distribution…

High Energy Physics - Lattice · Physics 2019-09-10 M. S. Albergo , G. Kanwar , P. E. Shanahan

Hamiltonian Monte Carlo (HMC) is an efficient and effective means of sampling posterior distributions on Euclidean space, which has been extended to manifolds with boundary. However, some applications require an extension to more general…

Populations and Evolution · Quantitative Biology 2017-06-26 Vu Dinh , Arman Bilge , Cheng Zhang , Frederick A. Matsen

The HMC algorithm, combining the advantages of molecular dynamics and Monte-Carlo methods, is the most efficient algorithm to simulate QCD including the effects of sea quarks. In the standard approach momentum fields are generated with a…

High Energy Physics - Lattice · Physics 2012-12-18 Alberto Ramos

We propose quantum algorithms that provide provable speedups for Markov Chain Monte Carlo (MCMC) methods commonly used for sampling from probability distributions of the form $\pi \propto e^{-f}$, where $f$ is a potential function. Our…

Quantum Physics · Physics 2025-04-07 Guneykan Ozgul , Xiantao Li , Mehrdad Mahdavi , Chunhao Wang

At small lattice spacing, or when using overlap fermions, lattice QCD simulations tend to become stuck in a single topological sector. Physical observables, e.g.\ hadron masses, then differ from their full QCD counterparts by $1/V$…

High Energy Physics - Lattice · Physics 2014-10-03 Christopher Czaban , Arthur Dromard , Marc Wagner

We propose a splitting Hamiltonian Monte Carlo (SHMC) algorithm, which can be computationally efficient when combined with the random mini-batch strategy. By splitting the potential energy into numerically nonstiff and stiff parts, one…

Numerical Analysis · Mathematics 2022-06-23 Lei Li , Lin Liu , Yuzhou Peng

Hamiltonian Monte Carlo (HMC) is a powerful Markov chain Monte Carlo (MCMC) algorithm for estimating expectations with respect to continuous un-normalized probability distributions. MCMC estimators typically have higher variance than…

Computation · Statistics 2020-03-04 Dan Piponi , Matthew D. Hoffman , Pavel Sountsov

Generating samples from a continuous probability density is a central algorithmic problem across statistics, engineering, and the sciences. For high-dimensional settings, Hamiltonian Monte Carlo (HMC) is the default algorithm across…

Data Structures and Algorithms · Computer Science 2026-03-25 Matthew S. Zhang , Jason M. Altschuler , Sinho Chewi

Due to the intrinsic complexity of the quantum many-body problem, quantum Monte Carlo algorithms and their corresponding Monte Carlo configurations can be defined in various ways. Configurations corresponding to few Feynman diagrams often…

Strongly Correlated Electrons · Physics 2019-04-30 Alexander Kowalski , Andreas Hausoel , Markus Wallerberger , Patrik Gunacker , Giorgio Sangiovanni

Hamiltonian Monte Carlo (HMC) is a Markov chain Monte Carlo (MCMC) approach that exhibits favourable exploration properties in high-dimensional models such as neural networks. Unfortunately, HMC has limited use in large-data regimes and…

Machine Learning · Statistics 2020-10-15 Adam D. Cobb , Brian Jalaian

There has been considerable interest in designing Markov chain Monte Carlo algorithms by exploiting numerical methods for Langevin dynamics, which includes Hamiltonian dynamics as a deterministic case. A prominent approach is Hamiltonian…

Computation · Statistics 2021-06-08 Zexi Song , Zhiqiang Tan

In simulations of a model with topological sectors, algorithms which proceed in small update steps tend to get stuck in one sector, especially on fine lattices. This distorts the numerical results; in particular it is not straightforward to…

High Energy Physics - Lattice · Physics 2016-10-12 Wolfgang Bietenholz , Krzysztof Cichy , Philippe de Forcrand , Arthur Dromard , Urs Gerber

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

Sequential Monte Carlo (SMC) samplers form an attractive alternative to MCMC for Bayesian computation. However, their performance depends strongly on the Markov kernels used to rejuvenate particles. We discuss how to calibrate automatically…

Computation · Statistics 2020-02-13 Alexander Buchholz , Nicolas Chopin , Pierre E. Jacob

In Monte Carlo simulations with a local update algorithm, the auto-correlation with respect to the topological charge tends to become very long. In the extreme case one can only perform reliable measurements within fixed sectors. We…

High Energy Physics - Lattice · Physics 2014-10-03 Urs Gerber , Irais Bautista , Wolfgang Bietenholz , Héctor Mejía-Díaz , Christoph P. Hofmann

The Hubbard model arises naturally when electron-electron interactions are added to the tight-binding descriptions of many condensed matter systems. For instance, the two-dimensional Hubbard model on the honeycomb lattice is central to the…

Strongly Correlated Electrons · Physics 2020-01-23 Jan-Lukas Wynen , Evan Berkowitz , Christopher Körber , Timo A. Lähde , Thomas Luu

We analyze Riemannian Hamiltonian Monte Carlo (RHMC) for sampling a polytope defined by $m$ inequalities in $\R^n$ endowed with the metric defined by the Hessian of a convex barrier function. The advantage of RHMC over Euclidean methods…

Data Structures and Algorithms · Computer Science 2023-04-20 Khashayar Gatmiry , Jonathan Kelner , Santosh S. Vempala