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Coupled cluster theory is a vital cornerstone of electronic structure theory and is being applied to ever-larger systems. Stochastic approaches to quantum chemistry have grown in importance and offer compelling advantages over traditional…

We introduce two novel quantum Monte Carlo methods and employ them to study the superfluid-insulator transition in a two-dimensional system of hard-core bosons. One of the methods is appropriate for zero temperature and is based upon…

Condensed Matter · Physics 2009-10-22 Shiwei Zhang , N. Kawashima , J. Carlson , J. E. Gubernatis

Creating low dimensional representations of a high dimensional data set is an important component in many machine learning applications. How to cluster data using their low dimensional embedded space is still a challenging problem in…

Machine Learning · Computer Science 2023-03-27 Zahra Moslehi , Abdolreza Mirzaei , Mehran Safayani

Spin systems with frustration and disorder are notoriously difficult to study both analytically and numerically. While the simulation of ferromagnetic statistical mechanical models benefits greatly from cluster algorithms, these accelerated…

Disordered Systems and Neural Networks · Physics 2015-08-18 Zheng Zhu , Andrew J. Ochoa , Helmut G. Katzgraber

A worm algorithm is proposed for the two-dimensional spin glasses. The method is based on a low-temperature expansion of the partition function. The low-temperature configurations of the spin glass on square lattice can be viewed as strings…

Statistical Mechanics · Physics 2010-03-30 Jian-Sheng Wang

We investigate dynamic scaling properties of the two-dimensional gauge glass model for the vortex glass phase in superconductors with quenched disorder. From extensive Monte Carlo simulations we obtain static and dynamic finite size scaling…

Disordered Systems and Neural Networks · Physics 2007-05-23 Marios Nikolaou , Mats Wallin

Spin-glasses are Gibbs distributions that have been studied in CS for many decades. Recently, they have gained renewed attention as they emerge naturally in learning, inference, optimisation etc. We consider the Edwards-Anderson (EA)…

Discrete Mathematics · Computer Science 2024-03-15 Charilaos Efthymiou , Kostas Zampetakis

The study of the low temperature phase of spin glass models by means of Monte Carlo simulations is a challenging task, because of the very slow dynamics and the severe finite size effects they show. By exploiting at the best the…

Disordered Systems and Neural Networks · Physics 2014-04-02 Lucas Nicolao , Giorgio Parisi , Federico Ricci-Tersenghi

The invaded cluster algorithm is used to study the XY model in two and three dimensions up to sizes 2000^2 and 120^3 respectively. A soft spin O(2) model, in the same universality class as the 3D XY model, is also studied. The static…

Statistical Mechanics · Physics 2009-11-07 I. Dukovski , J. Machta , L. Chayes

The results of numerical simulation using a modified Monte Carlo method with a heat bath algorithm for the pseudospin model of cuprates are presented. The temperature phase diagrams are constructed for various degrees of doping and for…

Superconductivity · Physics 2025-10-10 Yu. D. Panov , V. A. Ulitko , D. N. Yasinskaya , A. S. Moskvin

We introduce a new update scheme to systematically improve the efficiency of parallel tempering simulations. We show that by adapting the number of sweeps between replica exchanges to the canonical autocorrelation time, the average…

Statistical Mechanics · Physics 2008-09-26 Elmar Bittner , Andreas Nussbaumer , Wolfhard Janke

We present a novel, generally applicable Monte Carlo algorithm for the simulation of fluid systems. Geometric transformations are used to identify clusters of particles in such a manner that every cluster move is accepted, irrespective of…

Statistical Mechanics · Physics 2016-08-31 Jiwen Liu , Erik Luijten

Extensive equilibrium Monte Carlo simulations are performed for a three-dimensional Heisenberg spin glass with the nearest-neighbor Gaussian coupling to investigate its spin-glass and chiral-glass orderings. The occurrence of a…

Disordered Systems and Neural Networks · Physics 2009-10-31 K. Hukushima , H. Kawamura

Cluster analysis faces two problems in high dimensions: first, the `curse of dimensionality' that can lead to overfitting and poor generalization performance; and second, the sheer time taken for conventional algorithms to process large…

Quantitative Methods · Quantitative Biology 2013-09-12 Shabnam N. Kadir , Dan F. M. Goodman , Kenneth D. Harris

Recently, Velazquez and Curilef have proposed a methodology to extend Monte Carlo algorithms based on canonical ensemble, which is aimed to overcome slow sampling problems associated with temperature-driven discontinuous phase transitions.…

Statistical Mechanics · Physics 2013-07-31 L. Velazquez , J. C. Castro-Palacio

A quantum-thermal annealing method using a cluster-flip algorithm is studied in the two-dimensional spin-glass model. The temperature (T) and the transverse field (Gamma) are decreased simultaneously with the same rate along a linear path…

Disordered Systems and Neural Networks · Physics 2009-06-08 Satoshi Morita , Sei Suzuki , Tota Nakamura

Global optimization is an active area of research in atomistic simulations, and many algorithms have been proposed to date. A prominent example is basin hopping Monte Carlo, which performs a modified Metropolis Monte Carlo search to explore…

Chemical Physics · Physics 2020-02-04 Martín Leandro Paleico , Jörg Behler

We present an efficient and exact Monte Carlo algorithm to simulate reversible aggregation of particles with dedicated binding sites. This method introduces a novel data structure of dynamic bond tree to record clusters and sequences of…

Quantitative Methods · Quantitative Biology 2011-09-27 Qiang Chang , Jin Yang

We study a generalized clock model on the simple cubic lattice. The parameter of the model can be tuned such that the amplitude of the leading correction to scaling vanishes. In the main part of the study we simulate the model with $Z_8$…

Statistical Mechanics · Physics 2020-01-09 Martin Hasenbusch

We discuss the efficiency of Monte Carlo methods in solving continuum radiative transfer problems. The sampling of the radiation field and convergence of dust temperature calculations in the case of optically thick clouds are both studied.…

Astrophysics · Physics 2009-11-10 M. Juvela
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