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Title: Exploring Replica-Exchange Wang-Landau sampling in higher-dimensional parameter space

Abstract

We considered a higher-dimensional extension for the replica-exchange Wang-Landau algorithm to perform a random walk in the energy and magnetization space of the two-dimensional Ising model. This hybrid scheme combines the advantages of Wang-Landau and Replica-Exchange algorithms, and the one-dimensional version of this approach has been shown to be very efficient and to scale well, up to several thousands of computing cores. This approach allows us to split the parameter space of the system to be simulated into several pieces and still perform a random walk over the entire parameter range, ensuring the ergodicity of the simulation. Previous work, in which a similar scheme of parallel simulation was implemented without using replica exchange and with a different way to combine the result from the pieces, led to discontinuities in the final density of states over the entire range of parameters. From our simulations, it appears that the replica-exchange Wang-Landau algorithm is able to overcome this diculty, allowing exploration of higher parameter phase space by keeping track of the joint density of states.

Authors:
 [1];  [2];  [1];  [3];  [3];  [4];  [1]
  1. University of Georgia, Athens, GA
  2. Universidade Federal de Minas Gerais
  3. ORNL
  4. University of Sao Paulo, BRAZIL
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1223646
DOE Contract Number:
DE-AC05-00OR22725
Resource Type:
Conference
Resource Relation:
Conference: XXVI IUPAP Conference on Computational Physics, CCP2014, Boston, MA, USA, 20140811, 20140814
Country of Publication:
United States
Language:
English

Citation Formats

Valentim, Alexandra, Rocha, Julio C. S., Tsai, Shan-Ho, Li, Ying Wai, Eisenbach, Markus, Fiore, Carlos E, and Landau, David P. Exploring Replica-Exchange Wang-Landau sampling in higher-dimensional parameter space. United States: N. p., 2015. Web.
Valentim, Alexandra, Rocha, Julio C. S., Tsai, Shan-Ho, Li, Ying Wai, Eisenbach, Markus, Fiore, Carlos E, & Landau, David P. Exploring Replica-Exchange Wang-Landau sampling in higher-dimensional parameter space. United States.
Valentim, Alexandra, Rocha, Julio C. S., Tsai, Shan-Ho, Li, Ying Wai, Eisenbach, Markus, Fiore, Carlos E, and Landau, David P. Thu . "Exploring Replica-Exchange Wang-Landau sampling in higher-dimensional parameter space". United States. doi:.
@article{osti_1223646,
title = {Exploring Replica-Exchange Wang-Landau sampling in higher-dimensional parameter space},
author = {Valentim, Alexandra and Rocha, Julio C. S. and Tsai, Shan-Ho and Li, Ying Wai and Eisenbach, Markus and Fiore, Carlos E and Landau, David P},
abstractNote = {We considered a higher-dimensional extension for the replica-exchange Wang-Landau algorithm to perform a random walk in the energy and magnetization space of the two-dimensional Ising model. This hybrid scheme combines the advantages of Wang-Landau and Replica-Exchange algorithms, and the one-dimensional version of this approach has been shown to be very efficient and to scale well, up to several thousands of computing cores. This approach allows us to split the parameter space of the system to be simulated into several pieces and still perform a random walk over the entire parameter range, ensuring the ergodicity of the simulation. Previous work, in which a similar scheme of parallel simulation was implemented without using replica exchange and with a different way to combine the result from the pieces, led to discontinuities in the final density of states over the entire range of parameters. From our simulations, it appears that the replica-exchange Wang-Landau algorithm is able to overcome this diculty, allowing exploration of higher parameter phase space by keeping track of the joint density of states.},
doi = {},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jan 01 00:00:00 EST 2015},
month = {Thu Jan 01 00:00:00 EST 2015}
}

Conference:
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