Gene-Metabolite Association Prediction with Interactive Knowledge Transfer Enhanced Graph for Metabolite Production

Kexuan Xin, Qingyun Wang, Junyu Chen, Pengfei Yu, Huimin Zhao, Heng Ji

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Identifying gene targets for enhancing metabolite production in metabolic engineering is challenging due to the vast research literature and the approximation in genome-scale metabolic model (GEM) simulations. To address this, we propose the Gene-Metabolite Association Prediction task, which automates gene discovery for given metabolite-gene pairs, accompanied by a benchmark dataset of 2474 metabolites and 1947 genes for Saccharomyces cerevisiae (SC) and Issatchenkia orientalis (IO). This task is complicated by incomplete metabolic graphs and metabolic heterogeneity. We introduce an Interactive Knowledge Transfer mechanism based on Metabolism Graphs (IKT4Meta) to enhance prediction accuracy by integrating cross-metabolism knowledge. Using Pretrained Language Models (PLMs) to generate inter-graph links mitigates heterogeneity issues, while intra-graph links are propagated via these anchors. Gene-metabolite predictions are then performed on the enriched graphs integrating multiple microorganisms' knowledge. Experiments show that IKT4Meta outperforms baselines by up to 12.3% in link prediction.

Original languageEnglish (US)
Title of host publicationProceedings - 2024 IEEE International Conference on Bioinformatics and Biomedicine, BIBM 2024
EditorsMario Cannataro, Huiru Zheng, Lin Gao, Jianlin Cheng, Joao Luis de Miranda, Ester Zumpano, Xiaohua Hu, Young-Rae Cho, Taesung Park
PublisherInstitute of Electrical and Electronics Engineers Inc.
Pages383-388
Number of pages6
ISBN (Electronic)9798350386226
DOIs
StatePublished - 2024
Event2024 IEEE International Conference on Bioinformatics and Biomedicine, BIBM 2024 - Lisbon, Portugal
Duration: Dec 3 2024Dec 6 2024

Publication series

NameProceedings - 2024 IEEE International Conference on Bioinformatics and Biomedicine, BIBM 2024

Conference

Conference2024 IEEE International Conference on Bioinformatics and Biomedicine, BIBM 2024
Country/TerritoryPortugal
CityLisbon
Period12/3/2412/6/24

Keywords

  • Gene prediction
  • association prediction
  • graph alignment
  • metabolic network

ASJC Scopus subject areas

  • Artificial Intelligence
  • Biomedical Engineering
  • Modeling and Simulation
  • Medicine (miscellaneous)
  • Computer Vision and Pattern Recognition
  • Health Informatics
  • Radiology Nuclear Medicine and imaging

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