DeepGO-SE: Protein function prediction as Approximate Semantic Entailment

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DeepGO-SE predicts protein functions from sequences by treating it as approximate semantic entailment using a neuro-symbolic model that exploits Gene Ontology axioms and a pretrained large language model.

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This paper presents DeepGO-SE, a protein function prediction method that uses a pretrained large language model on protein sequences combined with a neuro-symbolic component that exploits Gene Ontology (GO) axioms, framing prediction as approximate semantic entailment across GO sub-ontologies. The authors evaluate the approach on proteins with no significant similarity to training proteins and report improved function prediction for this challenging out-of-similarity setting. A stated limitation/caveat is that the work is a preprint and, as described, focuses on evaluation on the chosen no-similarity test proteins rather than broader benchmark scenarios. Relevance to endometriosis: this paper does not explicitly discuss endometriosis or adenomyosis; it was included in the corpus via a keyword match on protein function prediction and Gene Ontology methods.

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Abstract

Abstract The Gene Ontology (GO) is one of the most successful ontologies in the biological domain. GO is a formal theory with over 100,000 axioms that describe the molecular functions, biological processes, and cellular locations of proteins in three sub-ontologies. Many methods have been developed to automatically predict protein functions. However, only few of them use the background knowledge provided in the axioms of GO for knowledge-enhanced machine learning, or adjust and evaluate the model for the differences between the sub-ontologies. We have developed DeepGO-SE, a novel method which predicts GO functions from protein sequences using a pretrained large language model combined with a neuro-symbolic model that exploits GO axioms and performs protein function prediction as a form of approximate semantic entailment. We specifically evaluate DeepGO-SE on proteins that have no significant similarity with training proteins and demonstrate that DeepGO-SE can improve function prediction for those proteins.
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DeepGO-SE: Protein function prediction as Approximate Semantic Entailment | Research Square window.SnipcartSettings = { analytics: { enabled: false } }; (function() { var accessVector = localStorage.getItem('access_vector') || ''; window.dataLayer = window.dataLayer || []; if (accessVector) { window.dataLayer.push({ user: { profile: { profileInfo: { snid: accessVector } } } }); } })(); (function(w,d,s,l,i){w[l]=w[l]||[];w[l].push({'gtm.start':new Date().getTime(),event:'gtm.js'});var f=d.getElementsByTagName(s)[0],j=d.createElement(s),dl=l!='dataLayer'?'&l='+l:'';j.async=true;j.src='https://www.googletagmanager.com/gtm.js?id='+i+dl;f.parentNode.insertBefore(j,f);})(window,document,'script','dataLayer','GTM-K279D39R'); Browse Preprints In Review Journals COVID-19 Preprints AJE Video Bytes Research Tools Research Promotion AJE Professional Editing AJE Rubriq About Preprint Platform In Review Editorial Policies Our Team Advisory Board Help Center Sign In Submit a Preprint Cite Share Download PDF Article DeepGO-SE: Protein function prediction as Approximate Semantic Entailment Maxat Kulmanov, Francisco Guzmán-Vega, Paula Duek, Lydie Lane, and 2 more This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-3258432/v1 This work is licensed under a CC BY 4.0 License Status: Published Journal Publication published 14 Feb, 2024 Read the published version in Nature Machine Intelligence → Version 1 posted You are reading this latest preprint version Abstract The Gene Ontology (GO) is one of the most successful ontologies in the biological domain. GO is a formal theory with over 100,000 axioms that describe the molecular functions, biological processes, and cellular locations of proteins in three sub-ontologies. Many methods have been developed to automatically predict protein functions. However, only few of them use the background knowledge provided in the axioms of GO for knowledge-enhanced machine learning, or adjust and evaluate the model for the differences between the sub-ontologies. We have developed DeepGO-SE, a novel method which predicts GO functions from protein sequences using a pretrained large language model combined with a neuro-symbolic model that exploits GO axioms and performs protein function prediction as a form of approximate semantic entailment. We specifically evaluate DeepGO-SE on proteins that have no significant similarity with training proteins and demonstrate that DeepGO-SE can improve function prediction for those proteins. Biological sciences/Computational biology and bioinformatics/Protein function predictions Biological sciences/Computational biology and bioinformatics/Gene ontology Biological sciences/Computational biology and bioinformatics/Machine learning Protein Function Gene Ontology Ontology Embedding Machine Learning Full Text Additional Declarations There is NO Competing Interest. Cite Share Download PDF Status: Published Journal Publication published 14 Feb, 2024 Read the published version in Nature Machine Intelligence → Version 1 posted You are reading this latest preprint version Research Square lets you share your work early, gain feedback from the community, and start making changes to your manuscript prior to peer review in a journal. As a division of Research Square Company, we’re committed to making research communication faster, fairer, and more useful. We do this by developing innovative software and high quality services for the global research community. Our growing team is made up of researchers and industry professionals working together to solve the most critical problems facing scientific publishing. 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