A Hybrid Flux Balance Analysis and Machine Learning Pipeline Elucidates Metabolic Adaptation in Cyanobacteria

Summary: Machine learning has recently emerged as a promising tool for inferring multi-omic relationships in biological systems. At the same time, genome-scale metabolic models (GSMMs) can be integrated with such multi-omic data to refine phenotypic predictions. In this work, we use a multi-omic mac...

Full description

Bibliographic Details
Main Authors: Supreeta Vijayakumar, Pattanathu K.S.M. Rahman, Claudio Angione
Format: Article
Language:English
Published: Elsevier 2020-12-01
Series:iScience
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S2589004220310154
_version_ 1818393198298398720
author Supreeta Vijayakumar
Pattanathu K.S.M. Rahman
Claudio Angione
author_facet Supreeta Vijayakumar
Pattanathu K.S.M. Rahman
Claudio Angione
author_sort Supreeta Vijayakumar
collection DOAJ
description Summary: Machine learning has recently emerged as a promising tool for inferring multi-omic relationships in biological systems. At the same time, genome-scale metabolic models (GSMMs) can be integrated with such multi-omic data to refine phenotypic predictions. In this work, we use a multi-omic machine learning pipeline to analyze a GSMM of Synechococcus sp. PCC 7002, a cyanobacterium with large potential to produce renewable biofuels. We use regularized flux balance analysis to observe flux response between conditions across photosynthesis and energy metabolism. We then incorporate principal-component analysis, k-means clustering, and LASSO regularization to reduce dimensionality and extract key cross-omic features. Our results suggest that combining metabolic modeling with machine learning elucidates mechanisms used by cyanobacteria to cope with fluctuations in light intensity and salinity that cannot be detected using transcriptomics alone. Furthermore, GSMMs introduce critical mechanistic details that improve the performance of omic-based machine learning methods.
first_indexed 2024-12-14T05:41:30Z
format Article
id doaj.art-19eb88d002ba4bc2b173b639c6b050e0
institution Directory Open Access Journal
issn 2589-0042
language English
last_indexed 2024-12-14T05:41:30Z
publishDate 2020-12-01
publisher Elsevier
record_format Article
series iScience
spelling doaj.art-19eb88d002ba4bc2b173b639c6b050e02022-12-21T23:15:01ZengElsevieriScience2589-00422020-12-012312101818A Hybrid Flux Balance Analysis and Machine Learning Pipeline Elucidates Metabolic Adaptation in CyanobacteriaSupreeta Vijayakumar0Pattanathu K.S.M. Rahman1Claudio Angione2Department of Computer Science and Information Systems, Teesside University, Middlesbrough, North Yorkshire TS1 3BX, UKCentre for Enzyme Innovation, Institute of Biological and Biomedical Sciences, School of Biological Sciences, University of Portsmouth, Portsmouth, Hampshire PO1 2UP, UK; Tara Biologics, Woking, Surrey GU21 6BP, UKDepartment of Computer Science and Information Systems, Teesside University, Middlesbrough, North Yorkshire TS1 3BX, UK; Centre for Digital Innovation, Teesside University, Middlesbrough TS1 3BX, UK; Healthcare Innovation Centre, Teesside University, Middlesbrough TS1 3BX, UK; Corresponding authorSummary: Machine learning has recently emerged as a promising tool for inferring multi-omic relationships in biological systems. At the same time, genome-scale metabolic models (GSMMs) can be integrated with such multi-omic data to refine phenotypic predictions. In this work, we use a multi-omic machine learning pipeline to analyze a GSMM of Synechococcus sp. PCC 7002, a cyanobacterium with large potential to produce renewable biofuels. We use regularized flux balance analysis to observe flux response between conditions across photosynthesis and energy metabolism. We then incorporate principal-component analysis, k-means clustering, and LASSO regularization to reduce dimensionality and extract key cross-omic features. Our results suggest that combining metabolic modeling with machine learning elucidates mechanisms used by cyanobacteria to cope with fluctuations in light intensity and salinity that cannot be detected using transcriptomics alone. Furthermore, GSMMs introduce critical mechanistic details that improve the performance of omic-based machine learning methods.http://www.sciencedirect.com/science/article/pii/S2589004220310154Metabolic EngineeringIn Silico BiologyArtificial IntelligenceBioengineering
spellingShingle Supreeta Vijayakumar
Pattanathu K.S.M. Rahman
Claudio Angione
A Hybrid Flux Balance Analysis and Machine Learning Pipeline Elucidates Metabolic Adaptation in Cyanobacteria
iScience
Metabolic Engineering
In Silico Biology
Artificial Intelligence
Bioengineering
title A Hybrid Flux Balance Analysis and Machine Learning Pipeline Elucidates Metabolic Adaptation in Cyanobacteria
title_full A Hybrid Flux Balance Analysis and Machine Learning Pipeline Elucidates Metabolic Adaptation in Cyanobacteria
title_fullStr A Hybrid Flux Balance Analysis and Machine Learning Pipeline Elucidates Metabolic Adaptation in Cyanobacteria
title_full_unstemmed A Hybrid Flux Balance Analysis and Machine Learning Pipeline Elucidates Metabolic Adaptation in Cyanobacteria
title_short A Hybrid Flux Balance Analysis and Machine Learning Pipeline Elucidates Metabolic Adaptation in Cyanobacteria
title_sort hybrid flux balance analysis and machine learning pipeline elucidates metabolic adaptation in cyanobacteria
topic Metabolic Engineering
In Silico Biology
Artificial Intelligence
Bioengineering
url http://www.sciencedirect.com/science/article/pii/S2589004220310154
work_keys_str_mv AT supreetavijayakumar ahybridfluxbalanceanalysisandmachinelearningpipelineelucidatesmetabolicadaptationincyanobacteria
AT pattanathuksmrahman ahybridfluxbalanceanalysisandmachinelearningpipelineelucidatesmetabolicadaptationincyanobacteria
AT claudioangione ahybridfluxbalanceanalysisandmachinelearningpipelineelucidatesmetabolicadaptationincyanobacteria
AT supreetavijayakumar hybridfluxbalanceanalysisandmachinelearningpipelineelucidatesmetabolicadaptationincyanobacteria
AT pattanathuksmrahman hybridfluxbalanceanalysisandmachinelearningpipelineelucidatesmetabolicadaptationincyanobacteria
AT claudioangione hybridfluxbalanceanalysisandmachinelearningpipelineelucidatesmetabolicadaptationincyanobacteria