arXiv:2605.11258cs.AIcs.CL2026-05被引 4

用类比推理让大模型在生物医学中更创新、更多样地生成解决方案。

Unlocking LLM Creativity in Science through Analogical Reasoning

  • 通过共享关系结构类比跨领域问题,引导新解法生成。
  • 方案多样性提升90%-173%,新颖解法生成率超50%。
  • 适合需要创意突破的科研人员和自动化科学探索系统。

自主科学有望增强复杂领域(如生物医学)中的科学发现。但实现这一目标需具备持续生成新颖且多样化解决方案的AI系统。本文评估了大语言模型在开放式解法生成任务中的表现,量化其易陷入低多样性生成的模式崩溃现象。为缓解此问题,提出类比推理(AR)新方法:基于共享关系结构生成跨领域类比,并利用类比搜索新解法。相比基线方法,AR显著提升解法多样性(改善90%-173%),在50%以上情况下生成新颖解法(基线最低仅1.6%),并产出高质量类比。在四个生物医学问题中验证其可行性:在扰动效应预测上分布指标提升近13倍;细胞间通讯预测中AUPRC优于所有基线;脑区相互作用推断与已有方法的Spearman相关性达ρ=0.729;在两个寡核苷酸性质预测数据集上达到当前最优性能。AR生成的创新多样解法可扩展现有解法生成方法的搜索空间。

原文摘要 · Abstract (English)

Autonomous science promises to augment scientific discovery, particularly in complex fields like biomedicine. However, this requires AI systems that can consistently generate novel and diverse solutions to open-ended problems. We evaluate LLMs on the task of open-ended solution generation and quantify their tendency to mode collapse into low-diversity generations. To mitigate this mode collapse, we introduce analogical reasoning (AR) as a new approach to solution generation. AR generates analogies to cross-domain problems based on shared relational structure, then uses those analogies to search for novel solutions. Compared to baselines, AR discovers significantly more diverse generations (improving solution diversity metrics by 90-173%), generates novel solutions over 50% of the time (compared to as little as 1.6% for baselines), and produces high-quality analogies. To validate the real-world feasibility of AR, we implement AR-generated solutions across four biomedical problems, yielding consistent quantitative gains. AR-generated approaches achieve a nearly 13-fold improvement on distributional metrics for perturbation effect prediction, outperform all baselines on AUPRC when predicting cell-cell communication, infer brain region interactions with a high Spearman correlation ($ρ$=0.729) to published methods, and establish state-of-the-art performance on 2 datasets for oligonucleotide property prediction. The novel and diverse solutions produced by AR can be used to augment the search space of existing solution generation methods.

类比推理科学发现大模型生物医学

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