融合语义与结构学习,提升生物知识图谱补全与推理能力
BioGraphFusion: Graph Knowledge Embedding for Biological Completion and Reasoning
- 用张量分解建立全局语义基础,结合LSTM动态优化关系嵌入
- 在三个生物医学任务中超越现有模型,尤其在黑色素瘤数据上发现有意义通路
- 适合药物发现和疾病机制研究者,可自适应融合语义与图结构信息
生物医学知识图谱对药物研发和疾病理解至关重要,但其补全与推理仍具挑战。传统知识嵌入方法捕捉全局语义但难以动态整合结构信息,图神经网络擅长局部建模却缺乏语义理解。即使集成方法(包括语言模型)也难实现语义与结构学习的深层协同进化。为此,本文提出BioGraphFusion框架,通过张量分解建立全局语义基础,驱动LSTM动态优化关系嵌入,在图传播中实现语义与结构的自适应交互。结合查询引导的子图构建与混合评分机制,显著提升性能。在三个关键生物医学任务上,其表现优于当前最优的知识嵌入、图神经网络及集成模型。对皮肤恶性黑色素瘤1(CMM1)的案例研究揭示了具有生物学意义的通路。代码与训练数据已公开于https://github.com/Y-TARL/BioGraphFusion,补充材料可在Bioinformatics在线获取。
原文摘要 · Abstract (English)
Motivation: Biomedical knowledge graphs (KGs) are crucial for drug discovery and disease understanding, yet their completion and reasoning are challenging. Knowledge Embedding (KE) methods capture global semantics but struggle with dynamic structural integration, while Graph Neural Networks (GNNs) excel locally but often lack semantic understanding. Even ensemble approaches, including those leveraging language models, often fail to achieve a deep, adaptive, and synergistic co-evolution between semantic comprehension and structural learning. Addressing this critical gap in fostering continuous, reciprocal refinement between these two aspects in complex biomedical KGs is paramount. Results: We introduce BioGraphFusion, a novel framework for deeply synergistic semantic and structural learning. BioGraphFusion establishes a global semantic foundation via tensor decomposition, guiding an LSTM-driven mechanism to dynamically refine relation embeddings during graph propagation. This fosters adaptive interplay between semantic understanding and structural learning, further enhanced by query-guided subgraph construction and a hybrid scoring mechanism. Experiments across three key biomedical tasks demonstrate BioGraphFusion's superior performance over state-of-the-art KE, GNN, and ensemble models. A case study on Cutaneous Malignant Melanoma 1 (CMM1) highlights its ability to unveil biologically meaningful pathways. Availability and Implementation: Source code and all training data are freely available for download at https://github.com/Y-TARL/BioGraphFusion. Supplementary information: Supplementary data are available at Bioinformatics online.
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