SciAgents: Automating Scientific Discovery Through Bioinspired Multi‐Agent Intelligent Graph Reasoning

Abstract

A key challenge in artificial intelligence (AI) is the creation of systems capable of autonomously advancing scientific understanding by exploring novel domains, identifying complex patterns, and uncovering previously unseen connections in vast scientific data. In this work, SciAgents, an approach that leverages three core concepts is presented: (1) large‐scale ontological knowledge graphs to organize and interconnect diverse scientific concepts, (2) a suite of large language models (LLMs) and data retrieval tools, and (3) multi‐agent systems with in‐situ learning capabilities. Applied to biologically inspired materials, SciAgents reveals hidden interdisciplinary relationships that were previously considered unrelated, achieving a scale, precision, and exploratory power that surpasses human research methods. The framework autonomously generates and refines research hypotheses, elucidating underlying mechanisms, design principles, and unexpected material properties. By integrating these capabilities in a modular fashion, the system yields material discoveries, critiques and improves existing hypotheses, retrieves up‐to‐date data about existing research, and highlights strengths and limitations. This is achieved by harnessing a “swarm of intelligence” similar to biological systems, providing new avenues for discovery. How this model accelerates the development of advanced materials by unlocking Nature's design principles, resulting in a new biocomposite with enhanced mechanical properties and improved sustainability through energy‐efficient production is shown.