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Bayesian analysis of single-particle tracking data using the nested-sampling algorithm: maximum-likelihood model selection applied to stochastic-diffusivity data

  • We employ Bayesian statistics using the nested-sampling algorithm to compare and rank multiple models of ergodic diffusion (including anomalous diffusion) as well as to assess their optimal parameters for in silico-generated and real time-series. We focus on the recently-introduced model of Brownian motion with "diffusing diffusivity'-giving rise to widely-observed non-Gaussian displacement statistics-and its comparison to Brownian and fractional Brownian motion, also for the time-series with some measurement noise. We conduct this model-assessment analysis using Bayesian statistics and the nested-sampling algorithm on the level of individual particle trajectories. We evaluate relative model probabilities and compute best-parameter sets for each diffusion model, comparing the estimated parameters to the true ones. We test the performance of the nested-sampling algorithm and its predictive power both for computer-generated (idealised) trajectories as well as for real single-particle-tracking trajectories. Our approach delivers newWe employ Bayesian statistics using the nested-sampling algorithm to compare and rank multiple models of ergodic diffusion (including anomalous diffusion) as well as to assess their optimal parameters for in silico-generated and real time-series. We focus on the recently-introduced model of Brownian motion with "diffusing diffusivity'-giving rise to widely-observed non-Gaussian displacement statistics-and its comparison to Brownian and fractional Brownian motion, also for the time-series with some measurement noise. We conduct this model-assessment analysis using Bayesian statistics and the nested-sampling algorithm on the level of individual particle trajectories. We evaluate relative model probabilities and compute best-parameter sets for each diffusion model, comparing the estimated parameters to the true ones. We test the performance of the nested-sampling algorithm and its predictive power both for computer-generated (idealised) trajectories as well as for real single-particle-tracking trajectories. Our approach delivers new important insight into the objective selection of the most suitable stochastic model for a given time-series. We also present first model-ranking results in application to experimental data of tracer diffusion in polymer-based hydrogels.show moreshow less

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Metadaten
Author details:Samudrajit ThapaORCiDGND, Michael Andersen LomholtORCiD, Jens KrogORCiD, Andrey G. CherstvyORCiD, Ralf MetzlerORCiDGND
DOI:https://doi.org/10.1039/c8cp04043e
ISSN:1463-9076
ISSN:1463-9084
Pubmed ID:https://pubmed.ncbi.nlm.nih.gov/30255886
Title of parent work (English):Physical chemistry, chemical physics : PCCP ; a journal of European Chemical Societies
Publisher:Royal Society of Chemistry
Place of publishing:Cambridge
Publication type:Article
Language:English
Year of first publication:2018
Publication year:2018
Release date:2020/05/18
Volume:20
Issue:46
Number of pages:20
First page:29018
Last Page:29037
Funding institution:Det Frie Forskningsrad (DFF), Danish Natural Science Research Council, German Research Foundation (DFG), Humboldt Polish Honorary Research Scholarship (Foundation for Polish Science), Deutscher Akademischer Austauschdienst (DAAD)
Organizational units:Mathematisch-Naturwissenschaftliche Fakultät / Institut für Physik und Astronomie
DDC classification:5 Naturwissenschaften und Mathematik / 53 Physik / 530 Physik
Peer review:Referiert
License (German):License LogoKeine öffentliche Lizenz: Unter Urheberrechtsschutz
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