Optimal Parameters for Basin-Hopping Global Optimization Based on Tsallis Statistics
Journal of Chemical Physics
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Shang, C., & Wales, D. (2014). Optimal Parameters for Basin-Hopping Global Optimization Based on Tsallis Statistics. Journal of Chemical Physics, 141 https://doi.org/10.1063/1.4893344
A fundamental problem associated with global optimization is the large free energy barrier for the correspond- ing solid-solid phase transitions for systems with multi-funnel energy landscapes. To address this issue we consider the Tsallis weight instead of the Boltzmann weight to define the acceptance ratio for basin-hopping global optimization. Benchmarks for atomic clusters show that using the optimal Tsallis weight can improve the efficiency by roughly a factor of two. We present a theory that connects the optimal parameters for the Tsallis weighting, and demonstrate that the predictions are verified for each of the test cases.
This work was supported by the ERC and the EPSRC.
European Research Council (267369)
External DOI: https://doi.org/10.1063/1.4893344
This record's URL: https://www.repository.cam.ac.uk/handle/1810/246281
Attribution-NonCommercial 2.0 UK: England & Wales
Licence URL: http://creativecommons.org/licenses/by-nc/2.0/uk/
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