arXiv:2505.16477cs.AI2025-05被引 12

LLM正重塑科学方法,从假说生成到发现全程赋能。

Advancing the Scientific Method with Large Language Models: From Hypothesis to Discovery

  • 将LLM深度融入科研全流程,实现智能辅助实验设计与分析
  • 推动跨学科科学发现,尤其在化学与生物领域展现潜力
  • 适合希望提升效率、探索新假设的科研人员关注

随着近年诺贝尔奖认可AI对科学的贡献,大型语言模型(LLMs)正通过提升研究效率并重塑科学方法,深刻影响科研实践。当前LLMs已参与实验设计、数据分析及工作流构建,尤其在化学与生物学领域表现突出。然而,幻觉与可靠性仍是主要挑战。本文综述了LLMs如何重新定义科学方法,探讨其在科学周期各阶段——从假说检验到发现——的应用潜力。研究表明,为使LLMs成为真正有效的创造性引擎与生产力工具,必须与其人类科学目标协同推进,并建立明确评估指标。向人工智能驱动科学的转型引发关于创造力、监督与责任的伦理问题。在审慎引导下,LLMs有望成为负责任且高效的变革性驱动力。但科学界也需思考:当人类仅因‘推理’表象而赋予其更大自主权时,应保留多少探索空间给自身?这可能带来超越人类直觉的新假设与解决方案区域。

原文摘要 · Abstract (English)

With recent Nobel Prizes recognising AI contributions to science, Large Language Models (LLMs) are transforming scientific research by enhancing productivity and reshaping the scientific method. LLMs are now involved in experimental design, data analysis, and workflows, particularly in chemistry and biology. However, challenges such as hallucinations and reliability persist. In this contribution, we review how Large Language Models (LLMs) are redefining the scientific method and explore their potential applications across different stages of the scientific cycle, from hypothesis testing to discovery. We conclude that, for LLMs to serve as relevant and effective creative engines and productivity enhancers, their deep integration into all steps of the scientific process should be pursued in collaboration and alignment with human scientific goals, with clear evaluation metrics. The transition to AI-driven science raises ethical questions about creativity, oversight, and responsibility. With careful guidance, LLMs could evolve into creative engines, driving transformative breakthroughs across scientific disciplines responsibly and effectively. However, the scientific community must also decide how much it leaves to LLMs to drive science, even when associations with 'reasoning', mostly currently undeserved, are made in exchange for the potential to explore hypothesis and solution regions that might otherwise remain unexplored by human exploration alone.

大模型科学发现智能科研伦理

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