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A novel Bayesian approach to the computation of the configurational density of states

2021/12/23 by Felipe Moreno, Moreno, Felipe, Sergio Davis +3
Computer Science · Engineering · #Bayesian Modeling and Causal Inference #FOS: Physical sciences #Fault Detection and Control Systems #Neural Networks and Applications #Statistical Mechanics (cond-mat.stat-mech)

paper · pdf · doi:10.48550/arxiv.2112.12875

openalex publication_date 2021/12/23 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

Abstract

In this work we develop and implement a novel Bayesian method for computing the DOS of a system. This method is based on the use of a test function with adjustable parameters and we use Bayes theorem to find the best parameters given a certain number of measurements done on the system. This measurements can be done in any ensemble defined by a distribution function. We found that the algorithm can find the DOS in a reasonable amount of time, and that if the test function is suitable enough, the DOS found by the algorithm is very close to the true DOS.

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