加速科学发现:Co-Scientist 系统

Accelerating scientific discovery with Co-Scientist

杰米斯·哈萨比斯 Demis Hassabis · Google DeepMind · 2025-02-26 · arXiv:2502.18864 ↗ · 被引 342

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摘要 · Abstract

科学发现源于科学家针对复杂问题提出新颖假设,并经过严格的实验验证。为增强这一过程,我们推出了 Co-Scientist,一个基于 Gemini 构建的多智能体 AI 系统,用于结构化科学思维和假设生成。Co-Scientist 旨在帮助科学家发现新的原创知识。根据研究目标和先前的科学证据,它能够制定出可验证的新颖研究假设。系统设计包括多个智能体持续生成、批评和完善假设,并通过扩展测试时计算来加速。主要贡献包括:(1) 一个多智能体架构,配备异步任务执行框架,实现灵活的计算扩展;(2) 一个锦标赛进化过程,用于自我改进的假设生成。自动评估显示,测试时计算的持续扩展能随时间提高假设质量。尽管具有通用性,我们重点在三个生物医学应用中进行验证:药物重定位、新靶点发现和解释抗菌药物耐药性机制。具体而言,Co-Scientist 帮助识别了急性髓系白血病的新药物重定位候选和协同联合疗法,并通过体外实验进行了验证。这些实际验证展示了 Co-Scientist 加速科学发现的潜力,开启了 AI 赋能科学家的新时代。

Scientific discovery is driven by scientists generating novel hypotheses for complex problems that undergo rigorous experimental validation. To augment this process, we introduce Co-Scientist, a multi-agent AI system built on Gemini for structured scientific thinking and hypothesis generation. Co-Scientist aims to help scientists discover new original knowledge. Conditioned on their research objectives and prior scientific evidence, it formulates demonstrably novel research hypotheses for experimental verification. The system's design involves agents continuously generating, critiquing and refining hypotheses accelerated by scaling test-time compute. Key contributions include: (1) a multi-agent architecture with an asynchronous task execution framework for flexible compute scaling; (2) a tournament evolution process for self-improving hypotheses generation. Automated evaluations show continued benefits of test-time compute scaling, improving hypothesis quality over time. While general purpose, we focus the validation in three biomedical applications: drug repurposing, novel target discovery, and explaining mechanisms of anti-microbial resistance. Specifically, Co-Scientist helped identify new drug repurposing candidates and synergistic combination therapies for acute myeloid leukemia, which were validated through in vitro experiments. These real-world validations demonstrate the potential of Co-Scientist to accelerate scientific discovery and usher in an era of AI empowered scientists.

核心贡献 · Key contributions

局限 · Limitations

论文章节 · Sections(共 24)

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