A hybrid approach to literature-based discovery: combining traditional methods with LLMs

We present a novel hybrid approach to literature-based discovery (LBD) which exploits large language models (LLMs) to enhance traditional LBD methodologies. We explore the use of LLMs to address significant LBD challenges: (1) the extraction of factual subject–predicate–object relations from publication abstracts using few-shot learning and (2) the filtering of unpromising candidate hidden knowledge pairs (CHKPs) using a variant of the LLM-as-a-judge paradigm with and without the addition of domain-specific information using retrieval augmented generation. The approach produces relations with greater coverage and results in a lower number of CHKPs compared to LBD based on relations extracted with, e.g., SemRep, improving the prediction and efficiency of knowledge discovery. We demonstrate the utility of the method using a drug-repurposing case study and suggest that emerging AI technologies can be used to assist in knowledge discovery from the ever-growing volume of the scientific literature.

Publication Details

Journal
White Rose Research Online (University of Leeds, The University of Sheffield, University of York)
Published
2025-08-08
Primary Topic
Theoretical and Computational Physics
Type
article
Field-Weighted Citation Impact
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article

A hybrid approach to literature-based discovery: combining traditional methods with LLMs

White Rose Research Online (University of Leeds, The University of Sheffield, University of York)
Theoretical and Computational Physics
article

A hybrid approach to literature-based discovery: combining traditional methods with LLMs

article en

Abstract

We present a novel hybrid approach to literature-based discovery (LBD) which exploits large language models (LLMs) to enhance traditional LBD methodologies. We explore the use of LLMs to address significant LBD challenges: (1) the extraction of factual subject–predicate–object relations from publication abstracts using few-shot learning and (2) the filtering of unpromising candidate hidden knowledge pairs (CHKPs) using a variant of the LLM-as-a-judge paradigm with and without the addition of domain-specific information using retrieval augmented generation. The approach produces relations with greater coverage and results in a lower number of CHKPs compared to LBD based on relations extracted with, e.g., SemRep, improving the prediction and efficiency of knowledge discovery. We demonstrate the utility of the method using a drug-repurposing case study and suggest that emerging AI technologies can be used to assist in knowledge discovery from the ever-growing volume of the scientific literature.

White Rose Research Online (University of Leeds, The University of Sheffield, University of York)
Quality Education
Openalex Percentile: Top 61%
Theoretical and Computational Physics
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