图原生强化学习通过概念重组实现可追溯的科学假设生成
阅读原文· arxiv.org研究团队开发 Graph-PRefLexOR,一组图原生推理模型,用 GRPO 微调,将推理组织为机制探索、图构建、模式提取和假设合成等显式阶段。在材料科学与力学的 100 个开放式问题上,相较基础模型提升 40–65%,最大增益来自推理可追溯性。嵌入分析显示语义多样性约为基线 2–3 倍;层间隐藏状态分析表明结构化推理与最终答案对齐更强。测试时图扩展表明,额外算力主要增加有限语义空间内的长距离概念重组。
Accelerating materials discovery requires AI systems that can generate scientifically valid hypotheses through multi-step, domain-grounded reasoning. Standard large language models often produce fluent but weakly traceable responses to open-ended materials design problems, making it difficult to determine whether final answers are supported by coherent intermediate reasoning. We develop Graph-PRefLexOR, a family of graph-native reasoning models fine-tuned with Group Relative Policy Optimization (GRPO) to organize reasoning into explicit phases for mechanism exploration, graph construction, pattern extraction, and hypothesis synthesis. This design links neural language generation with symbolic relational structure, enabling causal connections to be constructed, inspected, and reused. On 100 open-ended questions from materials science and mechanics literature, Graph-PRefLexOR achieves 40-65% improvements over corresponding base models, with the largest gains in reasoning traceability. Embedding analyses show broader semantic exploration and approximately 2-3 times greater semantic diversity than baselines. Semantic backtracking and layer-wise hidden-state analyses further show stronger alignment between structured reasoning and final answers. Finally, test-time graph expansion reveals that additional compute primarily increases long-range conceptual recombination within a bounded semantic space, rather than simply expanding semantic coverage. These results establish graph-native reinforcement learning as a pathway toward interpretable AI systems for scientific hypothesis generation in materials design and other scientific applications.