期刊
ESAIM-MATHEMATICAL MODELLING AND NUMERICAL ANALYSIS
卷 56, 期 2, 页码 529-564出版社
EDP SCIENCES S A
DOI: 10.1051/m2an/2022010
关键词
Adaptive Bisaing Force; nonlinear Fokker-Planck equation; long-time behaviour; free energy; entropy techniques
资金
- European Research Council (ERC) under the European Union [810367]
- [EFI ANR-17-CE40-0030]
The study proposes an investigation into the robustness of the Adaptive Biasing Force method under generic (possibly non-conservative) forces. The researchers ensure the satisfaction of the flat histogram property and establish the existence of a stationary state for both the Adaptive Biasing Force and Projected Adapted Biasing Force algorithms. Using classical entropy techniques, the study proves the exponential convergence of the biasing force and law over time for both methods.
We propose a study of the Adaptive Biasing Force method's robustness under generic (possibly non-conservative) forces. We first ensure the flat histogram property is satisfied in all cases. We then introduce a fixed point problem yielding the existence of a stationary state for both the Adaptive Biasing Force and Projected Adapted Biasing Force algorithms, relying on generic bounds on the invariant probability measures of homogeneous diffusions. Using classical entropy techniques, we prove the exponential convergence of both biasing force and law as time goes to infinity, for both the Adaptive Biasing Force and the Projected Adaptive Biasing Force methods.
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