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The hermitian Wilson kernel used in the construction of the domain-wall and overlap Dirac operators has exceptionally small eigenvalues that make it expensive to reach high-quality chiral symmetry for domain-wall fermions, or high precision…

High Energy Physics - Lattice · Physics 2008-11-26 Maarten Golterman , Yigal Shamir

The extreme computational costs of calculating the sign of the Wilson matrix within the overlap operator have so far prevented four dimensional dynamical overlap simulations on realistic lattice sizes, because the computational power…

High Energy Physics - Lattice · Physics 2008-12-18 N. Cundy , S. Krieg , G. Arnold , A. Frommer , Th. Lippert , K. Schilling

We compare the CPU cost of HMC to various implementations of the Hermitean variant of L\"uscher's local bosonic algorithm (LBA) for 2D massive QED with two flavours of Wilson fermions. We carefully scan a 3-dimensional parameter subspace…

High Energy Physics - Lattice · Physics 2009-10-30 Stephan Elser , Burkhard Bunk

Hamiltonian Monte Carlo (HMC) is a popular method in sampling. While there are quite a few works of studying this method on various aspects, an interesting question is how to choose its integration time to achieve acceleration. In this…

Machine Learning · Computer Science 2023-02-16 Jun-Kun Wang , Andre Wibisono

We consider the numerical solution of large scale time-harmonic Maxwell equations. To this day, this problem remains difficult, in particular because the equations are neither Hermitian nor semi-definite. Our approach is to compare…

Numerical Analysis · Mathematics 2025-07-18 Elise Fressart , Sébastien Dubois , Loïc Gouarin , Marc Massot , Michel Nowak , Nicole Spillane

We report on salient features of a mixed lattice QCD action using valence M\"{o}bius domain-wall fermions solved on the dynamical $N_f=2+1+1$ HISQ ensembles generated by the MILC Collaboration. The approximate chiral symmetry properties of…

As part of a systematic algorithm study, we present first results on a performance comparison between a multibosonic algorithm and the hybrid Monte Carlo algorithm as employed by the SESAM collaboration. The standard Wilson fermion action…

High Energy Physics - Lattice · Physics 2008-11-26 W. Schroers , N. Eicker , M. D'Elia , Ph. de Forcrand , C. Gebert , Th. Lippert , I. Montvay , B. Orth , M. Pepe , K. Schilling

The investigation of the decorrelation efficiency of the HMC algorithm with respect to vacuum topology is a prerequisite for trustworthy full QCD simulations, in particular for the computation of topology sensitive quantities. We…

High Energy Physics - Lattice · Physics 2008-11-26 Th. Lippert , B. Alles , G. Bali , M. D'Elia , A. Di Giacomo , N. Eicker , S. Guesken , K. Schilling , A. Spitz , T. Struckmann , P. Ueberholz , J. Viehoff

In this work, we introduce three algorithmic improvements to reduce the cost and improve the scaling of orbital space variational Monte Carlo (VMC). First, we show that by appropriately screening the one- and two-electron integrals of the…

Chemical Physics · Physics 2018-07-30 Iliya Sabzevari , Sandeep Sharma

For big data analysis, high computational cost for Bayesian methods often limits their applications in practice. In recent years, there have been many attempts to improve computational efficiency of Bayesian inference. Here we propose an…

Computation · Statistics 2017-04-19 Cheng Zhang , Babak Shahbaba , Hongkai Zhao

Critical slowing down presents a critical obstacle to lattice QCD calculation at the smaller lattice spacings made possible by Exascale computers. Inspired by the concept of Fourier acceleration, we study a version of the Riemannian…

High Energy Physics - Lattice · Physics 2021-12-10 Tuan Nguyen , Peter Boyle , Norman Christ , Yong-Chull Jang , Chulwoo Jung

Hamiltonian Monte Carlo (HMC) is a very popular and generic collection of Markov chain Monte Carlo (MCMC) algorithms. One explanation for the popularity of HMC algorithms is their excellent performance as the dimension $d$ of the target…

Probability · Mathematics 2018-09-05 Oren Mangoubi , Natesh S. Pillai , Aaron Smith

In Bayesian inference, Hamiltonian Monte Carlo (HMC) is a popular Markov Chain Monte Carlo (MCMC) algorithm known for its efficiency in sampling from complex probability distributions. However, its application to models with latent…

Computation · Statistics 2025-04-15 Alaa Amri , Víctor Elvira , Amy L. Wilson

We propose the use of preconditioning in FCIQMC which, in combination with perturbative estimators, greatly increases the efficiency of the algorithm. The use of preconditioning allows a time step close to unity to be used (without…

Chemical Physics · Physics 2019-05-17 Nick S. Blunt , Alex J. W. Thom , Charles J. C. Scott

We present a polynomial Hybrid Monte Carlo (PHMC) algorithm as an exact simulation algorithm with dynamical Kogut-Susskind fermions. The algorithm uses a Hermitian polynomial approximation for the fractional power of the KS fermion matrix.…

A scheme for separating the high- and low-frequency molecular dynamics modes in Hybrid Monte Carlo (HMC) simulations of gauge theories with dynamical fermions is presented. The algorithm is tested in the Schwinger model with Wilson…

High Energy Physics - Lattice · Physics 2019-08-14 Mike Peardon , James Sexton

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

Recently, the Hamilton Monte Carlo (HMC) has become widespread as one of the more reliable approaches to efficient sample generation processes. However, HMC is difficult to sample in a multimodal posterior distribution because the HMC chain…

Computation · Statistics 2020-06-22 Jonghyun Yun , Minsuk Shin , Ick Hoon Jin , Faming Liang

A unique feature of the hybrid quantum Monte Carlo (HQMC) method is the potential to simulate negative sign free lattice fermion models with subcubic scaling in system size. Here we will revisit the algorithm for various models. We will…

Strongly Correlated Electrons · Physics 2018-03-09 Stefan Beyl , Florian Goth , Fakher F. Assaad

The Worldvolume Hybrid Monte Carlo (WV-HMC) method [arXiv:2012.08468] is an efficient algorithm for addressing the numerical sign problem at moderate computational cost. It mitigates the sign problem while avoiding the ergodicity issues…

Strongly Correlated Electrons · Physics 2026-05-15 Masafumi Fukuma , Yusuke Namekawa