Simulate Scientific Reasoning with Multiple Large Language Models: An Application to Alzheimer’s Disease Combinatorial Therapy

Abstract

Motivation: This study aims to develop an AI-driven framework that leverages large language models (LLMs) to simulate scientific reasoning and peer review to predict efficacious combinatorial therapy when data-driven prediction is infeasible. Results: Our proposed framework achieved a significantly higher accuracy (0.74) than traditional knowledge-based prediction (0.52). An ablation study highlighted the importance of high quality few-shot examples, external knowledge integration, self-consistency, and review within the framework. The external validation with private experimental data yielded an accuracy of 0.82, further confirming the framework's ability to generate high-quality hypotheses in biological inference tasks. Our framework offers an automated knowledge-driven hypothesis generation approach when data-driven prediction is not a viable option. Availability and implementation: Our source code and data are available at https://github.com/QidiXu96/Coated-LLM.

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