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A generalized approach to Wang-Landau simulations, macroscopically constrained Wang-Landau, is proposed to simulate the density of states of a system with multiple macroscopic order parameters. The method breaks a multidimensional…

Statistical Mechanics · Physics 2017-05-11 Chor-Hoi Chan , Gregory Brown , Per Arne Rikvold

We present an efficient computational approach to sample the histories of nonlinear stochastic processes. This framework builds upon recent work on casting a $d$-dimensional stochastic dynamical system into a $d+1$-dimensional equilibrium…

Statistical Mechanics · Physics 2009-11-11 Natali Gulbahce , Francis J. Alexander , Gregory Johnson

Using a Hubbard-Stratonovich transformation coupled with Fourier path integral methods, expressions are derived for the numerical evaluation of the microcanonical density of states for quantum particles obeying Boltzmann statistics. A…

chem-ph · Physics 2009-10-22 David L. Freeman , J. D. Doll

We propose a method based on the Wang-Landau algorithm to numerically generate the spectral densities of random matrix ensembles. The method employs Dyson's log-gas formalism for random matrix eigenvalues and also enables one to…

Statistical Mechanics · Physics 2013-01-28 Santosh Kumar

We show that the Wang-Landau algorithm can be formulated as a stochastic gradient descent algorithm minimizing a smooth and convex objective function, of which the gradient is estimated using Markov chain Monte Carlo iterations. The…

Computation · Statistics 2020-03-11 Chenguang Dai , Jun S. Liu

Paying attention to the difference of density of states, \Delta ln g(E) = ln g(E+\Delta E) - ln g(E), we study the convergence of the Wang-Landau method. We show that this quantity is a good estimator to discuss the errors of convergence,…

Statistical Mechanics · Physics 2012-01-10 Yukihiro Komura , Yutaka Okabe

State-space models are commonly used to describe different forms of ecological data. We consider the case of count data with observation errors. For such data the system process is typically multi-dimensional consisting of coupled Markov…

Methodology · Statistics 2017-08-15 Axel Finke , Ruth King , Alexandros Beskos , Petros Dellaportas

We derive a formula that expresses the density of states of a system with continuous degrees of freedom as a function of microcanonical averages of squared gradient and Laplacian of the Hamiltonian. This result is then used to propose a…

Statistical Mechanics · Physics 2023-12-01 Stefan Schnabel , Wolfhard Janke

This paper discusses some convergence properties in the entropic sampling Monte Carlo methods with multiple random walkers, particularly in the Wang-Landau (WL) and $1/t$ algorithms. The classical algorithms are modified by the use of $m$…

Statistical Mechanics · Physics 2016-06-22 R. E. Belardinelli , V. D. Pereyra

In the last years different studies have revealed the usefulness of a microcanonical analysis of finite systems when dealing with phase transitions. In this approach the quantities of interest are exclusively expressed as derivatives of the…

Statistical Mechanics · Physics 2009-11-11 Andreas Richter , Michel Pleimling , Alfred Hueller

The Wang-Landau algorithm aims at sampling from a probability distribution, while penalizing some regions of the state space and favoring others. It is widely used, but its convergence properties are still unknown. We show that for some…

Statistics Theory · Mathematics 2015-03-19 Pierre E. Jacob , Robin J. Ryder

Metropolis algorithm has been extensively employed for simulating a canonical ensemble and estimating macroscopic properties of a closed system at any desired temperature. A mechanical property, like energy can be calculated by averaging…

Statistical Mechanics · Physics 2017-09-28 K. P. N. Murthy

We present a novel Ensemble Monte Carlo Growth method to sample the equilibrium thermodynamic properties of random chains. The method is based on the multicanonical technique of computing the density of states in the energy space. Such a…

Statistical Mechanics · Physics 2020-03-04 Graziano Vernizzi , Trung Dac Nguyen , Henri Orland , Monica Olvera de la Cruz

We present a formalism of the transition matrix Monte Carlo method. A stochastic matrix in the space of energy can be estimated from Monte Carlo simulation. This matrix is used to compute the density of states, as well as to construct…

Statistical Mechanics · Physics 2011-12-30 Jian-Sheng Wang , Robert H. Swendsen

Recently, a new and efficient algorithm (the LLR method) has been proposed for computing densities of states in statistical systems and gauge theories. In this talk, we explore whether this novel density of states method can be applied to…

High Energy Physics - Lattice · Physics 2014-11-04 Biagio Lucini , Kurt Langfeld

We implement a Wang-Landau sampling technique in quantum Monte Carlo (QMC) for the purpose of calculating the Renyi entanglement entropies and associated mutual information. The algorithm converges an estimate for an analogue to the density…

Statistical Mechanics · Physics 2013-01-23 Stephen Inglis , Roger G. Melko

We introduce a generic, parallel Wang-Landau method that is naturally suited to implementation on massively parallel, petaflop supercomputers. The approach introduces a replica-exchange framework in which densities of states for overlapping…

Computational Physics · Physics 2015-06-18 Ying Wai Li , Thomas Vogel , Thomas Wüst , David P. Landau

A Monte Carlo method to estimate the Joint Density of States g(E,M) of the Ising and Ising-like models is presented. The method is applied to the well-known 2D Ising model, and is shown to be accurate, efficient, and embarrassingly…

Statistical Mechanics · Physics 2022-03-08 J. C. Inácio , A. L. Ferreira , J. S. Amaral

We investigate the behavior of the deviation of the estimator for the density of states (DOS) with respect to the exact solution in the course of Wang-Landau and Stochastic Approximation Monte Carlo (SAMC) simulations of the two-dimensional…

Statistical Mechanics · Physics 2017-03-08 Simon Schneider , Marco Mueller , Wolfhard Janke

Estimating the unknown density from which a given independent sample originates is more difficult than estimating the mean, in the sense that for the best popular non-parametric density estimators, the mean integrated square error converges…

Statistics Theory · Mathematics 2021-09-08 Pierre L'Ecuyer , Florian Puchhammer , Amal Ben Abdellah