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Monte Carlo methods use random sampling to estimate numerical quantities which are hard to compute deterministically. One important example is the use in statistical physics of rapidly mixing Markov chains to approximately compute partition…

Quantum Physics · Physics 2017-07-12 Ashley Montanaro

Diffusion Monte Carlo (DMC) simulations for fermions are becoming the standard to provide high quality reference data in systems that are too large to be investigated via quantum chemical approaches. DMC with the fixed-node approximation…

Chemical Physics · Physics 2016-07-06 Andrea Zen , Sandro Sorella , Michael J. Gillan , Angelos Michaelides , Dario Alfè

Nested multi-step stochastic correction offers a possibility to improve updating algorithms for numerical simulations of lattice gauge theories with fermions. The corresponding generalisations of the two-step multi-boson (TSMB) algorithm as…

High Energy Physics - Lattice · Physics 2009-11-11 I. Montvay , E. Scholz

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…

Statistical Mechanics · Physics 2025-05-15 Weilun Jiang , Gaopei Pan , Zhe Wang , Bin-Bin Mao , Heng Shen , Zheng Yan

Fourier acceleration is a technique used in Hybrid Monte Carlo simulations to decrease the autocorrelation between subsequent field configurations in the generated ensemble. It has been shown, in the perturbative limit, to eliminate the…

High Energy Physics - Lattice · Physics 2025-04-25 Cameron Cianci , Luchang Jin , Joshua Swaim

Simulated tempering is popular method of allowing MCMC algorithms to move between modes of a multimodal target density {\pi}. One problem with simulated tempering for multimodal targets is that the weights of the various modes change for…

Computation · Statistics 2019-02-12 Nicholas G. Tawn , Gareth O. Roberts , Jeffrey S. Rosenthal

We propose a method to mitigate heavy-tailed distributions in fermion Quantum Monte Carlo simulations originating from zeros of the fermion determinant. In this case the second moment of the observables might be not well defined, and we…

Strongly Correlated Electrons · Physics 2022-09-05 Maksim Ulybyshev , Fakher Assaad

The effectiveness of stochastic algorithms based on Monte Carlo dynamics in solving hard optimization problems is mostly unknown. Beyond the basic statement that at a dynamical phase transition the ergodicity breaks and a Monte Carlo…

Disordered Systems and Neural Networks · Physics 2019-07-10 Maria Chiara Angelini , Federico Ricci-Tersenghi

Smearing the gauge links of dynamical configurations removes small scale unphysical vacuum fluctuations and thus improves the chiral properties of lattice fermions. Recently we proposed the hypercubic smearing (HYP) that improves the flavor…

High Energy Physics - Lattice · Physics 2007-05-23 A. Hasenfratz , F. Knechtli

We describe a new Hybrid Monte Carlo (HMC) algorithm for dynamical overlap fermions, which improves the rate of topological index changes by adding an additional (intensive) term to the action for the molecular dynamics part of the…

High Energy Physics - Lattice · Physics 2012-02-28 Nigel Cundy , Weonjong Lee

Simulations at physical quark masses are affected by the critical slowing down of the solvers. Multigrid preconditioning has proved to deal effectively with this problem. Multigrid accelerated simulations at the physical value of the pion…

High Energy Physics - Lattice · Physics 2018-04-18 Simone Bacchio , Constantia Alexandrou , Jacob Finkerath

The standard hybrid Monte Carlo algorithm is known to simulate even flavors QCD only. Simulations of odd flavors QCD, however, can be also performed in the framework of the hybrid Monte Carlo algorithm where the inverse of the fermion…

High Energy Physics - Lattice · Physics 2017-08-23 Tetsuya Takaishi , Philippe de Forcrand

We investigate the algorithms for dynamical overlap fermions aiming at improving the performance for large-scale simulations. We look for the best combination of Hybrid Monte Carlo options and iterative quark solvers with respect to the…

We study the improvement of simulations of QCD with dynamical Wilson fermions by combining the Hybrid Monte Carlo algorithm with parallel tempering. As an indicator for decorrelation we use the topological charge.

High Energy Physics - Lattice · Physics 2015-06-25 E. -M. Ilgenfritz , Werner Kerler , H. Stüben

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…

High Energy Physics - Lattice · Physics 2008-11-26 Enno E. Scholz , Istvan Montvay

The method of tempered transitions was proposed by Neal (1996) for tackling the difficulties arising when using Markov chain Monte Carlo to sample from multimodal distributions. In common with methods such as simulated tempering and…

Computation · Statistics 2012-09-11 Gundula Behrens , Nial Friel , Merrilee Hurn

Ab-initio Monte Carlo simulations of strongly-interacting fermionic systems are plagued by the fermion sign problem, making the non-perturbative study of many interesting regimes of dense quantum matter, or of theories of odd numbers of…

High Energy Physics - Lattice · Physics 2024-03-05 Debasish Banerjee , Emilie Huffman

The Fermi gas at unitarity is a particularly interesting system of cold atoms, being dilute and strongly interacting at the same time. It can be studied non-perturbatively with Monte Carlo methods, like the recently developed worm…

Quantum Gases · Physics 2010-11-05 Olga Goulko , Matthew Wingate

We propose a Monte Carlo algorithm to sample from high dimensional probability distributions that combines Markov chain Monte Carlo and importance sampling. We provide a careful theoretical analysis, including guarantees on robustness to…

Computation · Statistics 2019-09-18 Giacomo Zanella , Gareth Roberts

The matrix element technique provides a superior statistical sensitivity for precision measurements of important parameters at hadron colliders, such as the mass of the top quark or the cross section for the production of Higgs bosons. The…

High Energy Physics - Experiment · Physics 2014-11-20 Oleg Brandt , Gaston Gutierrez , Michael H. L. S. Wang , Zhenyu Ye