TY - JOUR
T1 - Exploring Replica-Exchange Wang-Landau sampling in higher-dimensional parameter space
AU - Valentim, Alexandra
AU - Rocha, Julio C.S.
AU - Tsai, Shan Ho
AU - Li, Ying Wai
AU - Eisenbach, Markus
AU - Fiore, Carlos E.
AU - Landau, David P.
PY - 2015/9/28
Y1 - 2015/9/28
N2 - 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 difficulty, allowing exploration of higher parameter phase space by keeping track of the joint density of states.
AB - 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 difficulty, allowing exploration of higher parameter phase space by keeping track of the joint density of states.
UR - https://www.scopus.com/pages/publications/84952362125
U2 - 10.1088/1742-6596/640/1/012006
DO - 10.1088/1742-6596/640/1/012006
M3 - Conference article
AN - SCOPUS:84952362125
SN - 1742-6588
VL - 640
JO - Journal of Physics: Conference Series
JF - Journal of Physics: Conference Series
IS - 1
M1 - 012006
T2 - 26th IUPAP Conference on Computational Physics, CCP 2014
Y2 - 11 August 2014 through 14 August 2014
ER -