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Assessing Search and Unsupervised Clustering Algorithms in Nested Sampling

Nested sampling is an efficient method for calculating Bayesian evidence in data analysis and partition functions of potential energies. It is based on an exploration using a dynamical set of sampling points that evolves to higher values of the sampled function. When several maxima are present, this...

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Detalles Bibliográficos
Autores principales: Maillard, Lune, Finocchi, Fabio, Trassinelli, Martino
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9955770/
https://www.ncbi.nlm.nih.gov/pubmed/36832713
http://dx.doi.org/10.3390/e25020347
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author Maillard, Lune
Finocchi, Fabio
Trassinelli, Martino
author_facet Maillard, Lune
Finocchi, Fabio
Trassinelli, Martino
author_sort Maillard, Lune
collection PubMed
description Nested sampling is an efficient method for calculating Bayesian evidence in data analysis and partition functions of potential energies. It is based on an exploration using a dynamical set of sampling points that evolves to higher values of the sampled function. When several maxima are present, this exploration can be a very difficult task. Different codes implement different strategies. Local maxima are generally treated separately, applying cluster recognition of the sampling points based on machine learning methods. We present here the development and implementation of different search and clustering methods on the nested_fit code. Slice sampling and the uniform search method are added in addition to the random walk already implemented. Three new cluster recognition methods are also developed. The efficiency of the different strategies, in terms of accuracy and number of likelihood calls, is compared considering a series of benchmark tests, including model comparison and a harmonic energy potential. Slice sampling proves to be the most stable and accurate search strategy. The different clustering methods present similar results but with very different computing time and scaling. Different choices of the stopping criterion of the algorithm, another critical issue of nested sampling, are also investigated with the harmonic energy potential.
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spelling pubmed-99557702023-02-25 Assessing Search and Unsupervised Clustering Algorithms in Nested Sampling Maillard, Lune Finocchi, Fabio Trassinelli, Martino Entropy (Basel) Article Nested sampling is an efficient method for calculating Bayesian evidence in data analysis and partition functions of potential energies. It is based on an exploration using a dynamical set of sampling points that evolves to higher values of the sampled function. When several maxima are present, this exploration can be a very difficult task. Different codes implement different strategies. Local maxima are generally treated separately, applying cluster recognition of the sampling points based on machine learning methods. We present here the development and implementation of different search and clustering methods on the nested_fit code. Slice sampling and the uniform search method are added in addition to the random walk already implemented. Three new cluster recognition methods are also developed. The efficiency of the different strategies, in terms of accuracy and number of likelihood calls, is compared considering a series of benchmark tests, including model comparison and a harmonic energy potential. Slice sampling proves to be the most stable and accurate search strategy. The different clustering methods present similar results but with very different computing time and scaling. Different choices of the stopping criterion of the algorithm, another critical issue of nested sampling, are also investigated with the harmonic energy potential. MDPI 2023-02-14 /pmc/articles/PMC9955770/ /pubmed/36832713 http://dx.doi.org/10.3390/e25020347 Text en © 2023 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Maillard, Lune
Finocchi, Fabio
Trassinelli, Martino
Assessing Search and Unsupervised Clustering Algorithms in Nested Sampling
title Assessing Search and Unsupervised Clustering Algorithms in Nested Sampling
title_full Assessing Search and Unsupervised Clustering Algorithms in Nested Sampling
title_fullStr Assessing Search and Unsupervised Clustering Algorithms in Nested Sampling
title_full_unstemmed Assessing Search and Unsupervised Clustering Algorithms in Nested Sampling
title_short Assessing Search and Unsupervised Clustering Algorithms in Nested Sampling
title_sort assessing search and unsupervised clustering algorithms in nested sampling
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9955770/
https://www.ncbi.nlm.nih.gov/pubmed/36832713
http://dx.doi.org/10.3390/e25020347
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