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Molecular dynamics (MD) simulations are useful in obtaining thermodynamic and kinetic properties of bio-molecules but are limited by the timescale barrier, i.e., we may be unable to efficiently obtain properties because we need to run…

Chemical Physics · Physics 2017-08-23 Surl-Hee Ahn , Jay W. Grate , Eric F. Darve

We test the eigenstate thermalization hypothesis (ETH) in 1+1-dimensional SU(2) lattice gauge theory (LGT) with one flavor of dynamical fermions. Using the loop-string-hadron framework of the LGT with a bosonic cut-off, we exactly…

High Energy Physics - Theory · Physics 2026-05-28 Diptarka Das , Lukas Ebner , Saurabh V. Kadam , Indrakshi Raychowdhury , Andreas Schäfer , Xiaojun Yao

The Metropolis algorithm involves producing a Markov chain to converge to a specified target density $\pi$. In order to improve its efficiency, we can use the Rejection-Free version of the Metropolis algorithm, which avoids the inefficiency…

Computation · Statistics 2022-10-20 Sigeng Chen , Jeffrey S. Rosenthal , Aki Dote , Hirotaka Tamura , Ali Sheikholeslami

A new algorithm for simulating compact U(1) lattice gauge theory in three dimensions is presented which is based on global changes in the configuration space. We show that this algorithm provides an effective way to extract partition…

High Energy Physics - Lattice · Physics 2009-11-10 F. Alet , B. Lucini , M. Vettorazzo

We introduce a Monte Carlo algorithm to efficiently compute transport properties of chaotic dynamical systems. Our method exploits the importance sampling technique that favors trajectories in the tail of the distribution of displacements,…

Statistical Mechanics · Physics 2018-05-25 Diego Tapias , David P. Sanders , Eduardo G. Altmann

We construct efficient Monte Carlo updating algorithms for two classes of pure SU(N) lattice gauge actions with non-linear dependence on the link variables. Our construction generalises the method of auxiliary variables used by Fabricius…

High Energy Physics - Lattice · Physics 2010-10-08 Helvio Vairinhos

We present two types of meta-algorithm that can greatly improve the accuracy of existing algorithms for integrating the equations of motion of dynamical systems. The first meta-algorithm takes an integrator that is time-symmetric only for…

Astrophysics · Physics 2007-05-23 Piet Hut , Yoko Funato , Eiichiro Kokubo , Junichiro Makino , Steve McMillan

An overrelaxed variant of simulated annealing is applied to the problem of maximally abelian gauge fixing. The superiority of this algorithm over the commonly used relaxation procedure is demonstrated. Biases on non gauge invariant…

High Energy Physics - Lattice · Physics 2009-10-28 G. S. Bali , V. Bornyakov , M. Müller-Preussker , F. Pahl

Machine learning methods based on normalizing flows have been shown to address important challenges, such as critical slowing-down and topological freezing, in the sampling of gauge field configurations in simple lattice field theories. A…

Starting from thermalized quenched SU(2) configurations we apply cooling or iterated smearing, respectively, to produce sequences of gauge configurations with less and less fluctuations. We compute the low lying spectrum and eigenmodes of…

High Energy Physics - Lattice · Physics 2007-05-23 Christof Gattringer , E. -M. Ilgenfritz , Stefan Solbrig

The behavior of a Lattice Monte Carlo algorithm (if it is designed correctly) must approach that of the continuum system that it is designed to simulate as the time step and the mesh step tend to zero. However, we show for an algorithm for…

Statistical Mechanics · Physics 2010-08-23 Mykyta V. Chubynsky , Gary W. Slater

Traditional MCMC algorithms are computationally intensive and do not scale well to large data. In particular, the Metropolis-Hastings (MH) algorithm requires passing over the entire dataset to evaluate the likelihood ratio in each…

Machine Learning · Statistics 2019-08-29 Tung-Yu Wu , Y. X. Rachel Wang , Wing H. Wong

The Metropolis algorithm is a Markov chain Monte Carlo (MCMC) algorithm used to simulate from parameter distributions of interest, such as generalized linear model parameters. The "Metropolis step" is a keystone concept that underlies…

Computation · Statistics 2023-08-31 Alexander P Keil , Jessie K Edwards , Ashley I Naimi , Stephen R Cole

We investigate SU(2) gauge fields topology using new approach, which exploits the well known connection between SU(2) gauge theory and quaternionic projective sigma-models and allows to formulate the topological charge density entirely in…

High Energy Physics - Lattice · Physics 2009-11-11 F. V. Gubarev , S. M. Morozov

In order to investigate the features of the classical approximation at high temperatures for real time correlation functions, the plasmon frequencies and damping rates were recently computed numerically in the SU(2)+Higgs model and in the…

High Energy Physics - Phenomenology · Physics 2009-10-30 D. Bodeker , M. Laine

We show that for any multiple-try Metropolis algorithm, one can always accept the proposal and evaluate the importance weight that is needed to correct for the bias without extra computational cost. This results in a general, convenient,…

Computation · Statistics 2024-10-03 Guanxun Li , Aaron Smith , Quan Zhou

In recent years the complex action problem of lattice field theory at finite density was overcome for several system by mapping them to dual variables (flux lines and surfaces). We illustrate this mapping for the case of the U(1) gauge…

High Energy Physics - Lattice · Physics 2014-01-31 Christof Gattringer

In this paper, we consider the well known problem of non-linear identification of the rates of the reactions involved in cells with Monod functions. In bioprocesses, generating data is very expensive and long and so it is important to…

Methodology · Statistics 2024-02-08 Kévin Colin , Håkan Hjalmarsson , Véronique Chotteau

The normalizing constant plays an important role in Bayesian computation, and there is a large literature on methods for computing or approximating normalizing constants that cannot be evaluated in closed form. When the normalizing constant…

Computation · Statistics 2020-09-02 Yuling Yao , Collin Cademartori , Aki Vehtari , Andrew Gelman

This paper discusses the challenges presented by tall data problems associated with Bayesian classification (specifically binary classification) and the existing methods to handle them. Current methods include parallelizing the likelihood,…

Methodology · Statistics 2017-03-22 Richard D. Payne , Bani K. Mallick