aiqbench analysis
This paper introduces RAHC, a rule-augmented hyper-relational knowledge graph framework designed to improve the completion of missing experimental conditions in materials synthesis datasets. By integrating traceable scientific rules with graph structures, the method achieves significant gains in semi-inductive and open-answer settings, directly addressing the challenge of reusing scattered experimental knowledge.
RAHC: Rule-Augmented Hyper-Relational Knowledge Graph Completion for Materials Synthesis
arXiv:2611.04809v1 Announce Type: new Abstract: Scientific discovery depends on reusing experimental knowledge, yet records scattered across papers and repositories are often incomplete. In materials synthesis, recovering missing conditions requires reasoning about the target material and the observed context of a specific experiment. Hyper-relational knowledge graphs (HKGs) represent this context through qualifiers, but existing completion methods leave domain knowledge and experimental regularities implicit. We propose RAHC, a rule-augmented HKG framework for single-slot and joint multi-slot synthesis-condition completion. RAHC builds a traceable rule catalog from training records and retrieved literature, retrieves rules for each query-candidate pair, and separately encodes graph structure and rule evidence. Hard rules constrain candidate validity, while soft rules guide ranking. RAHC-G aggregates rules using global reliability; RAHC-Q additionally learns query-specific relevance. Gated fusion combines structural and rule representations, while tuple-conclusion rules provide cross-condition evidence for joint completion. Experiments on five materials-synthesis datasets show improvements in single-slot and joint completion under Semi-inductive and Open-Answer Inductive settings, with Semi-inductive MRR gains of up to 15.6% over MAYPL. RAHC also improves performance on the entity-disjoint ILPC'22 Small benchmark, supporting transfer to fully inductive KG completion. These results support experimental condition selection, synthesis planning, and the reuse of scientific knowledge.
Abstract:Scientific discovery depends on reusing experimental knowledge, yet records scattered across papers and repositories are often incomplete. In materials synthesis, recovering missing conditions requires reasoning about the target material and the observed context of a specific experiment. Hyper-relational knowledge graphs (HKGs) represent this context through qualifiers, but existing completion methods leave domain knowledge and experimental regularities implicit. We propose RAHC, a rule-augmented HKG framework for single-slot and joint multi-slot synthesis-condition completion. RAHC builds a traceable rule catalog from training records and retrieved literature, retrieves rules for each query-candidate pair, and separately encodes graph structure and rule evidence. Hard rules constrain candidate validity, while soft rules guide ranking. RAHC-G aggregates rules using global reliability; RAHC-Q additionally learns query-specific relevance. Gated fusion combines structural and rule representations, while tuple-conclusion rules provide cross-condition evidence for joint completion. Experiments on five materials-synthesis datasets show improvements in single-slot and joint completion under Semi-inductive and Open-Answer Inductive settings, with Semi-inductive MRR gains of up to 15.6% over MAYPL. RAHC also improves performance on the entity-disjoint ILPC'22 Small benchmark, supporting transfer to fully inductive KG completion. These results support experimental condition selection, synthesis planning, and the reuse of scientific knowledge.
Artificial Intelligence (cs.AI)
arXiv:2611.04809 [cs.AI]
(or arXiv:2611.04809v1 [cs.AI] for this version)
https://doi.org/10.48550/arXiv.2611.04809 Focus to learn more arXiv-issued DOI via DataCite (pending registration)
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Full text under the publisher's open licence · 287 words