A computational framework for inferring species dynamics and interactions with applications in microbiota ecology

Abstract We present MBPert, a generic computational framework for inferring species interactions and predicting dynamics in time-evolving ecosystems from perturbation and time-series data. In this work, we contextualize the framework in microbial ecosystem modeling by coupling a modified generalized...

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Main Authors: Yuanwei Xu, Georgios V. Gkoutos
Format: Article
Language:English
Published: Nature Portfolio 2025-08-01
Series:npj Systems Biology and Applications
Online Access:https://doi.org/10.1038/s41540-025-00568-0
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author Yuanwei Xu
Georgios V. Gkoutos
author_facet Yuanwei Xu
Georgios V. Gkoutos
author_sort Yuanwei Xu
collection DOAJ
description Abstract We present MBPert, a generic computational framework for inferring species interactions and predicting dynamics in time-evolving ecosystems from perturbation and time-series data. In this work, we contextualize the framework in microbial ecosystem modeling by coupling a modified generalized Lotka-Volterra formulation with machine learning optimization. Unlike traditional methods that rely on gradient matching, MBPert leverages numerical solutions of differential equations and iterative parameter estimation to robustly capture microbial dynamics. The framework is assessed within the context of two experimental scenarios: (i) paired before-and-after measurements under targeted perturbations, and (ii) longitudinal time-series data with time-dependent perturbations. Extensive simulation studies, benchmarking on standardized MTIST datasets, and application to Clostridium difficile infection in mice and repeated antibiotic perturbations of human gut micribiota, demonstrate that MBPert accurately recapitulates species interactions and predicts system dynamics. Our results highlight MBPert as a powerful and flexible tool for mechanistic insight into microbiota ecology, with broad potential applicability to other complex dynamical systems.
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spelling doaj-art-2ea08d4d54194ab589d08c6c5148e8d92025-08-20T03:42:53ZengNature Portfolionpj Systems Biology and Applications2056-71892025-08-0111111310.1038/s41540-025-00568-0A computational framework for inferring species dynamics and interactions with applications in microbiota ecologyYuanwei Xu0Georgios V. Gkoutos1Department of Cancer and Genomic Sciences, College of Medicine and Health, University of BirminghamDepartment of Cancer and Genomic Sciences, College of Medicine and Health, University of BirminghamAbstract We present MBPert, a generic computational framework for inferring species interactions and predicting dynamics in time-evolving ecosystems from perturbation and time-series data. In this work, we contextualize the framework in microbial ecosystem modeling by coupling a modified generalized Lotka-Volterra formulation with machine learning optimization. Unlike traditional methods that rely on gradient matching, MBPert leverages numerical solutions of differential equations and iterative parameter estimation to robustly capture microbial dynamics. The framework is assessed within the context of two experimental scenarios: (i) paired before-and-after measurements under targeted perturbations, and (ii) longitudinal time-series data with time-dependent perturbations. Extensive simulation studies, benchmarking on standardized MTIST datasets, and application to Clostridium difficile infection in mice and repeated antibiotic perturbations of human gut micribiota, demonstrate that MBPert accurately recapitulates species interactions and predicts system dynamics. Our results highlight MBPert as a powerful and flexible tool for mechanistic insight into microbiota ecology, with broad potential applicability to other complex dynamical systems.https://doi.org/10.1038/s41540-025-00568-0
spellingShingle Yuanwei Xu
Georgios V. Gkoutos
A computational framework for inferring species dynamics and interactions with applications in microbiota ecology
npj Systems Biology and Applications
title A computational framework for inferring species dynamics and interactions with applications in microbiota ecology
title_full A computational framework for inferring species dynamics and interactions with applications in microbiota ecology
title_fullStr A computational framework for inferring species dynamics and interactions with applications in microbiota ecology
title_full_unstemmed A computational framework for inferring species dynamics and interactions with applications in microbiota ecology
title_short A computational framework for inferring species dynamics and interactions with applications in microbiota ecology
title_sort computational framework for inferring species dynamics and interactions with applications in microbiota ecology
url https://doi.org/10.1038/s41540-025-00568-0
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