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Estimating and Assessing Differential Equation Models with Time-Course Data

[Image: see text] Ordinary differential equation (ODE) models are widely used to describe chemical or biological processes. This Article considers the estimation and assessment of such models on the basis of time-course data. Due to experimental limitations, time-course data are often noisy, and som...

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Autores principales: Wong, Samuel W. K., Yang, Shihao, Kou, S. C.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10041644/
https://www.ncbi.nlm.nih.gov/pubmed/36893480
http://dx.doi.org/10.1021/acs.jpcb.2c08932
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author Wong, Samuel W. K.
Yang, Shihao
Kou, S. C.
author_facet Wong, Samuel W. K.
Yang, Shihao
Kou, S. C.
author_sort Wong, Samuel W. K.
collection PubMed
description [Image: see text] Ordinary differential equation (ODE) models are widely used to describe chemical or biological processes. This Article considers the estimation and assessment of such models on the basis of time-course data. Due to experimental limitations, time-course data are often noisy, and some components of the system may not be observed. Furthermore, the computational demands of numerical integration have hindered the widespread adoption of time-course analysis using ODEs. To address these challenges, we explore the efficacy of the recently developed MAGI (MAnifold-constrained Gaussian process Inference) method for ODE inference. First, via a range of examples we show that MAGI is capable of inferring the parameters and system trajectories, including unobserved components, with appropriate uncertainty quantification. Second, we illustrate how MAGI can be used to assess and select different ODE models with time-course data based on MAGI’s efficient computation of model predictions. Overall, we believe MAGI is a useful method for the analysis of time-course data in the context of ODE models, which bypasses the need for any numerical integration.
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spelling pubmed-100416442023-03-28 Estimating and Assessing Differential Equation Models with Time-Course Data Wong, Samuel W. K. Yang, Shihao Kou, S. C. J Phys Chem B [Image: see text] Ordinary differential equation (ODE) models are widely used to describe chemical or biological processes. This Article considers the estimation and assessment of such models on the basis of time-course data. Due to experimental limitations, time-course data are often noisy, and some components of the system may not be observed. Furthermore, the computational demands of numerical integration have hindered the widespread adoption of time-course analysis using ODEs. To address these challenges, we explore the efficacy of the recently developed MAGI (MAnifold-constrained Gaussian process Inference) method for ODE inference. First, via a range of examples we show that MAGI is capable of inferring the parameters and system trajectories, including unobserved components, with appropriate uncertainty quantification. Second, we illustrate how MAGI can be used to assess and select different ODE models with time-course data based on MAGI’s efficient computation of model predictions. Overall, we believe MAGI is a useful method for the analysis of time-course data in the context of ODE models, which bypasses the need for any numerical integration. American Chemical Society 2023-03-09 /pmc/articles/PMC10041644/ /pubmed/36893480 http://dx.doi.org/10.1021/acs.jpcb.2c08932 Text en © 2023 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by-nc-nd/4.0/Permits non-commercial access and re-use, provided that author attribution and integrity are maintained; but does not permit creation of adaptations or other derivative works (https://creativecommons.org/licenses/by-nc-nd/4.0/).
spellingShingle Wong, Samuel W. K.
Yang, Shihao
Kou, S. C.
Estimating and Assessing Differential Equation Models with Time-Course Data
title Estimating and Assessing Differential Equation Models with Time-Course Data
title_full Estimating and Assessing Differential Equation Models with Time-Course Data
title_fullStr Estimating and Assessing Differential Equation Models with Time-Course Data
title_full_unstemmed Estimating and Assessing Differential Equation Models with Time-Course Data
title_short Estimating and Assessing Differential Equation Models with Time-Course Data
title_sort estimating and assessing differential equation models with time-course data
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10041644/
https://www.ncbi.nlm.nih.gov/pubmed/36893480
http://dx.doi.org/10.1021/acs.jpcb.2c08932
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