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arXiv 2511.08024cs.AI
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用于复杂生物分子推理的知识增强型长思维链生成

Knowledge-Augmented Long-CoT Generation for Complex Biomolecular Reasoning

The Polytechnic Institute, Zhejiang University(浙江大学Polytechnic学院);College of Computer Science and Technology, Zhejiang University(浙江大学计算机科学与技术学院);ZJU-Hangzhou Global Scientific and Technological Innovation Center, Zhejiang University(浙江大学Hangzhou全球科技创新中心);University of Oxford(牛津大学);Ant Group(蚂蚁集团);University of Aberdeen(阿伯丁大学);ZJU-UIUC Institute, Zhejiang University(浙江大学UIUC研究院)

Tianwen Lyu, Xiang Zhuang, Keyan Ding, Xinzhe Cao, Lei Liang, Wei Zhao, Qiang Zhang, Huajun Chen

AI总结:

针对LLMs在生物分子推理中存在的逻辑不一致和缺乏领域知识基础的问题,提出知识增强型Long-CoT推理框架,结合知识图谱多跳推理链与LLMs,构建PrimeKGQA基准,在多跳任务上实现SOTA性能。

摘要:

理解复杂的生物分子机制需要跨越分子相互作用、信号级联和代谢途径的多步推理。虽然大型语言模型(LLMs)在此类任务中展现出潜力,但其在生物分子问题中的应用受到逻辑不一致性和缺乏领域知识基础的阻碍。现有方法往往加剧这些问题:推理步骤可能偏离生物学事实,或无法捕捉长期的机制依赖关系。为解决这些挑战,我们提出一种知识增强型长思维链(Long-CoT)推理框架,将LLMs与基于知识图谱的多跳推理链相结合。该框架通过在知识图谱上的引导式多跳遍历和剪枝构建机制链;这些链条随后被整合到监督微调中以改善事实基础,并通过强化学习进一步优化以增强推理的可靠性和一致性。此外,为克服现有基准在规模和范围上的限制以及缺乏深度推理链注释的缺点,我们引入PrimeKGQA,一个用于生物分子问答的综合基准。在PrimeKGQA和现有数据集上的实验结果表明,尽管大型闭源模型在相对简单的任务上仍表现良好,但随着推理深度的增加,我们的方法展现出明显优势,在需要遍历结构化生物知识的多跳任务上实现了最先进的性能。这些发现突显了将结构化知识与先进推理策略相结合对可靠且可解释的生物分子推理的有效性。

英文摘要:

Understanding complex biomolecular mechanisms requires multi-step reasoning across molecular interactions, signaling cascades, and metabolic pathways. While large language models(LLMs) show promise in such tasks, their application to biomolecular problems is hindered by logical inconsistencies and the lack of grounding in domain knowledge. Existing approaches often exacerbate these issues: reasoning steps may deviate from biological facts or fail to capture long mechanistic dependencies. To address these challenges, we propose a Knowledge-Augmented Long-CoT Reasoning framework that integrates LLMs with knowledge graph-based multi-hop reasoning chains. The framework constructs mechanistic chains via guided multi-hop traversal and pruning on the knowledge graph; these chains are then incorporated into supervised fine-tuning to improve factual grounding and further refined with reinforcement learning to enhance reasoning reliability and consistency. Furthermore, to overcome the shortcomings of existing benchmarks, which are often restricted in scale and scope and lack annotations for deep reasoning chains, we introduce PrimeKGQA, a comprehensive benchmark for biomolecular question answering. Experimental results on both PrimeKGQA and existing datasets demonstrate that although larger closed-source models still perform well on relatively simple tasks, our method demonstrates clear advantages as reasoning depth increases, achieving state-of-the-art performance on multi-hop tasks that demand traversal of structured biological knowledge. These findings highlight the effectiveness of combining structured knowledge with advanced reasoning strategies for reliable and interpretable biomolecular reasoning.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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