DiffMAP-GP: Continuous 2D diffusion maps from particle trajectories without data binning using Gaussian processes

Diffusion coefficients often vary across regions, such as cellular membranes, and quantifying their variation can provide valuable insight into local membrane properties such as composition and stiffness. Toward quantifying diffusion coefficient spatial maps and uncertainties from particle tracks, w...

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Main Authors: Vishesh Kumar, J. Shepard Bryan, IV, Alex Rojewski, Carlo Manzo, Steve Pressé
Format: Article
Language:English
Published: Elsevier 2025-03-01
Series:Biophysical Reports
Online Access:http://www.sciencedirect.com/science/article/pii/S2667074724000533
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author Vishesh Kumar
J. Shepard Bryan, IV
Alex Rojewski
Carlo Manzo
Steve Pressé
author_facet Vishesh Kumar
J. Shepard Bryan, IV
Alex Rojewski
Carlo Manzo
Steve Pressé
author_sort Vishesh Kumar
collection DOAJ
description Diffusion coefficients often vary across regions, such as cellular membranes, and quantifying their variation can provide valuable insight into local membrane properties such as composition and stiffness. Toward quantifying diffusion coefficient spatial maps and uncertainties from particle tracks, we develop a Bayesian framework (DiffMAP-GP) by placing Gaussian process (GP) priors on the family of candidate maps. For sake of computational efficiency, we leverage inducing point methods on GPs arising from the mathematical structure of the data giving rise to nonconjugate likelihood-prior pairs. We analyze both synthetic data, where ground truth is known, as well as data drawn from live-cell single-molecule imaging of membrane proteins. The resulting tool provides an unsupervised method to rigorously map diffusion coefficients continuously across membranes without data binning.
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institution Kabale University
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publishDate 2025-03-01
publisher Elsevier
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series Biophysical Reports
spelling doaj-art-7a442fe6e6da4f7abf730f3e876d3f5c2025-01-26T05:05:17ZengElsevierBiophysical Reports2667-07472025-03-0151100194DiffMAP-GP: Continuous 2D diffusion maps from particle trajectories without data binning using Gaussian processesVishesh Kumar0J. Shepard Bryan, IV1Alex Rojewski2Carlo Manzo3Steve Pressé4Center for Biological Physics, Arizona State University, Tempe, Arizona; Department of Physics, Arizona State University, Tempe, ArizonaCenter for Biological Physics, Arizona State University, Tempe, Arizona; Department of Physics, Arizona State University, Tempe, ArizonaCenter for Biological Physics, Arizona State University, Tempe, Arizona; Department of Physics, Arizona State University, Tempe, ArizonaFacultat de Ciències, Tecnologia i Enginyeries, Universitat de Vic – Universitat Central de Catalunya (UVic-UCC), Barcelona, Spain; Institut de Recerca i Innovació en Ciències de la Vida i de la Salut a la Catalunya Central (IRIS-CC), Barcelona, SpainCenter for Biological Physics, Arizona State University, Tempe, Arizona; Department of Physics, Arizona State University, Tempe, Arizona; School of Molecular Sciences, Arizona State University, Tempe, Arizona; Corresponding authorDiffusion coefficients often vary across regions, such as cellular membranes, and quantifying their variation can provide valuable insight into local membrane properties such as composition and stiffness. Toward quantifying diffusion coefficient spatial maps and uncertainties from particle tracks, we develop a Bayesian framework (DiffMAP-GP) by placing Gaussian process (GP) priors on the family of candidate maps. For sake of computational efficiency, we leverage inducing point methods on GPs arising from the mathematical structure of the data giving rise to nonconjugate likelihood-prior pairs. We analyze both synthetic data, where ground truth is known, as well as data drawn from live-cell single-molecule imaging of membrane proteins. The resulting tool provides an unsupervised method to rigorously map diffusion coefficients continuously across membranes without data binning.http://www.sciencedirect.com/science/article/pii/S2667074724000533
spellingShingle Vishesh Kumar
J. Shepard Bryan, IV
Alex Rojewski
Carlo Manzo
Steve Pressé
DiffMAP-GP: Continuous 2D diffusion maps from particle trajectories without data binning using Gaussian processes
Biophysical Reports
title DiffMAP-GP: Continuous 2D diffusion maps from particle trajectories without data binning using Gaussian processes
title_full DiffMAP-GP: Continuous 2D diffusion maps from particle trajectories without data binning using Gaussian processes
title_fullStr DiffMAP-GP: Continuous 2D diffusion maps from particle trajectories without data binning using Gaussian processes
title_full_unstemmed DiffMAP-GP: Continuous 2D diffusion maps from particle trajectories without data binning using Gaussian processes
title_short DiffMAP-GP: Continuous 2D diffusion maps from particle trajectories without data binning using Gaussian processes
title_sort diffmap gp continuous 2d diffusion maps from particle trajectories without data binning using gaussian processes
url http://www.sciencedirect.com/science/article/pii/S2667074724000533
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AT carlomanzo diffmapgpcontinuous2ddiffusionmapsfromparticletrajectorieswithoutdatabinningusinggaussianprocesses
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