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In a computer experiment the choice of suitable estimators to measure a physical quantity plays an important role. We propose a new direct route to determine estimators for observables which do not commute with the Hamiltonian. Our new…

Statistical Mechanics · Physics 2013-07-11 Riccardo Fantoni

In this article we consider importance sampling (IS) and sequential Monte Carlo (SMC) methods in the context of 1-dimensional random walks with absorbing barriers. In particular, we develop a very precise variance analysis for several IS…

Computation · Statistics 2016-11-11 Pierre Del Moral , Ajay Jasra

Many problems of practical interest rely on Continuous-time Markov chains~(CTMCs) defined over combinatorial state spaces, rendering the computation of transition probabilities, and hence probabilistic inference, difficult or impossible…

The equilibrium properties of a single quantum particle (qp) interacting with a classical gas for a wide range of temperatures that explore the system's behavior in the classical as well as in the quantum regime is investigated. Both the…

Quantum Physics · Physics 2015-06-18 Mark O'Callaghan , Bruce N. Miller

Let $\mathscr{P}(E)$ be the space of probability measures on a measurable space $(E,\mathcal{E})$. In this paper we introduce a class of nonlinear Markov chain Monte Carlo (MCMC) methods for simulating from a probability measure…

Statistics Theory · Mathematics 2011-07-18 Christophe Andrieu , Ajay Jasra , Arnaud Doucet , Pierre Del Moral

This paper introduces quantum computing methods for Monte Carlo simulations in power systems which are expected to be exponentially faster than their classical computing counterparts. Monte Carlo simulations is a fundamental method, widely…

Quantum Physics · Physics 2023-10-02 Emilie Jong , Brynjar Sævarsson , Hjörtur Jóhannsson , Spyros Chatzivasileiadis

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

Discretizations of the Feynman-Kac path integral representation of the quantum mechanical density matrix are investigated. Each infinite-dimensional path integral is approximated by a Riemann integral over a finite-dimensional function…

Statistical Mechanics · Physics 2007-05-23 Stephen D. Bond , Brian B. Laird , Benedict J. Leimkuhler

Explicit treatment of many-body Fermi statistics in path integral Monte Carlo (PIMC) results in exponentially scaling computational cost due to the near cancellation of contributions to observables from even and odd permutations. Through…

Strongly Correlated Electrons · Physics 2014-09-12 Jonathan L DuBois , Ethan W. Brown , Berni J. Alder

Quantum Monte Carlo (QMC) is an advanced simulation methodology for studies of manybody quantum systems. In this review, we focus on the electronic structure QMC, i.e., methods relevant for systems described by the electron-ion…

Other Condensed Matter · Physics 2010-08-16 Michal Bajdich , Lubos Mitas

Quantitative theory of interbilayer interactions is essential to interpret x-ray scattering data and to elucidate these interactions for biologically relevant systems. For this purpose Monte Carlo simulations have been performed to obtain…

Biological Physics · Physics 2009-10-31 Nikolai Gouliaev , John F. Nagle

We explore to what extent path-integral quantum Monte Carlo methods can efficiently simulate the tunneling behavior of quantum adiabatic optimization algorithms. Specifically we look at symmetric cost functions defined over n bits with a…

Quantum Physics · Physics 2016-03-09 Lucas T. Brady , Wim van Dam

We show how information on the uniformity properties of a point set employed in numerical multidimensional integration can be used to improve the error estimate over the usual Monte Carlo one. We introduce a new measure of (non-)uniformity…

High Energy Physics - Phenomenology · Physics 2009-10-28 Jiri Hoogland , Ronald Kleiss

We introduce a semistochastic implementation of the power method to compute, for very large matrices, the dominant eigenvalue and expectation values involving the corresponding eigenvector. The method is semistochastic in that the matrix…

Strongly Correlated Electrons · Physics 2013-10-24 F. R. Petruzielo , A. A. Holmes , Hitesh J. Changlani , M. P. Nightingale , C. J. Umrigar

Monte Carlo integration is a commonly used technique to compute intractable integrals and is typically thought to perform poorly for very high-dimensional integrals. To show that this is not always the case, we examine Monte Carlo…

Methodology · Statistics 2023-05-26 Yanbo Tang

We present a comparison of the performance of two non-local update algorithms for path integral Monte Carlo (PIMC) simulations, the multigrid Monte Carlo method and the staging algorithm. Looking at autocorrelation times for the internal…

Condensed Matter · Physics 2015-06-25 Wolfhard Janke , Tilman Sauer

Indirect imaging problems in biomedical optics generally require repeated evaluation of forward models of radiative transport, for which Monte Carlo is accurate yet computationally costly. We develop a novel approach to reduce this…

Computational Physics · Physics 2020-07-10 Callum M. Macdonald , Simon Arridge , Samuel Powell

The Relativistic one dimensional Coulomb problem was studied by means of the Path Integral Monte Carlo method. Relativistic and non-relativistic regimes of this problem were investigated. The relativistic regime appears at small masses of…

Quantum Physics · Physics 2020-09-01 A. Ivanov , O. Pavlovsky

Monte Carlo studies of many quantum systems face exponentially severe signal-to-noise problems. We show that noise arising from complex phase fluctuations of observables can be reduced without introducing bias using path integral contour…

High Energy Physics - Lattice · Physics 2020-08-05 William Detmold , Gurtej Kanwar , Michael L. Wagman , Neill C. Warrington

Owing to their favorable scaling with dimensionality, Monte Carlo (MC) methods have become the tool of choice for numerical integration across the quantitative sciences. Almost invariably, efficient MC integration schemes are strictly…

Statistical Mechanics · Physics 2010-01-29 Artur B. Adib