让AI自己发现科学规律,还能反思自己的发现。
Autonomous Scientific Discovery via Iterative Meta-Reflection

- 用大模型动态写代码探索数据,不预设研究目标。
- 在生态数据集上找回9条中8条已知规律,支持率72.7%。
- 能自我反思发现模式,适合做开放科学探索的研究者。
自主科学发现系统有望通过自动化假设生成与验证加速研究,但现有系统受限于狭窄搜索空间或需预设问题,难以实现真正开放探索。此外,尽管可迭代生成假设,却缺乏显式整合累积发现以揭示复杂关联现象的能力。本文提出DiscoPER,一个基于大语言模型的自主框架,通过动态生成并执行代码,在无预设研究目标下探索数据。为确保科学严谨性,所有发现须通过统计检验。为突破孤立搜索局限,该框架引入二级推理机制,定期分析自身积累的发现,将过往成果视为实证数据,识别结构模式、混杂因素与认知盲区,主动引导探索进入未开发区域。搜索空间还通过工具使用扩展,使系统能无缝处理图像等多模态信息,提取非结构化数据中的有用线索。在新构建的iNatDisco多模态生态知识基准上(基于同行评审文献获取模式级真值),DiscoPER成功恢复9个已知模式中的8个,假设支持率达72.7%,优于经典因果发现与LLM引导基线。消融实验表明,DiscoPER随数据量增长而提升,且证实二级元反思的有效性。
原文摘要 · Abstract (English)
Autonomous scientific discovery systems offer the potential to accelerate research by automating the process of hypothesis generation and validation. However, current systems operate within constrained search spaces or require predefined research questions, limiting their capacity for true open-ended inquiry. Furthermore, while they generate hypotheses iteratively, they largely lack the ability to explicitly synthesize their own accumulated findings to uncover complex, interconnected phenomena. We introduce DiscoPER, an autonomous large language model-powered framework that conducts open-ended research by dynamically generating and executing code to explore datasets without pre-specified research objectives. To ensure rigorous scientific validity, every proposed discovery must pass statistical testing. To overcome the limitations of isolated search, our framework introduces a second-order reasoning mechanism that periodically analyzes its own accumulated discoveries. By treating prior discoveries as empirical data, DiscoPER identifies structural patterns, confounds, and epistemic gaps, actively redirecting hypothesis exploration toward uncharted regions of the search space. The search space is further expanded by incorporating tool use, enabling the system to explore hypotheses beyond structured metadata by seamlessly processing and extracting useful information from multimodal sources like images. Evaluated on iNatDisco, a new multimodal ecological knowledge benchmark with pattern-level ground truth obtained from peer-reviewed literature, DiscoPER recovers 8 of 9 known patterns with a 72.7% hypothesis support rate, outperforming both classical causal discovery and LLM-guided baselines. Ablations show that DiscoPER scales with more data, and confirms the benefits of second-order meta-reflection.
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