arXiv:2501.07970cs.AI2025-01

用图注意力模型整合多种基因疾病关联路径,提升预测准确率

Comprehensive Metapath-based Heterogeneous Graph Transformer for Gene-Disease Association Prediction

  • 基于七种元路径构建异构图,用Transformer捕捉长程依赖
  • 融合多源数据与BioGPT初始化特征,显著提升预测性能
  • 适用于生物医学知识发现,尤其适合基因疾病关联研究

揭示基因-疾病关联对理解疾病机制至关重要,但实验成本高、耗时长。计算方法在高效预测中日益重要。基于图的学习模型常用于生物分子预测,但现有方法难以有效融合节点特征、异构结构与语义信息。为此,我们提出综合元路径的异构图Transformer(COMET)用于基因-疾病关联预测。COMET整合多源数据构建全面异构网络,使用BioGPT初始化节点特征,定义七种元路径,并采用Transformer框架聚合元路径实例,捕捉全局上下文与长距离依赖。通过跨元路径与元路径内注意力机制的聚合,融合多条路径的潜在向量,提升预测精度。实验表明,该方法在多个基准上优于当前最优方法,消融实验与可视化验证了其有效性,为推进人类健康研究提供新思路。

原文摘要 · Abstract (English)

Discovering gene-disease associations is crucial for understanding disease mechanisms, yet identifying these associations remains challenging due to the time and cost of biological experiments. Computational methods are increasingly vital for efficient and scalable gene-disease association prediction. Graph-based learning models, which leverage node features and network relationships, are commonly employed for biomolecular predictions. However, existing methods often struggle to effectively integrate node features, heterogeneous structures, and semantic information. To address these challenges, we propose COmprehensive MEtapath-based heterogeneous graph Transformer(COMET) for predicting gene-disease associations. COMET integrates diverse datasets to construct comprehensive heterogeneous networks, initializing node features with BioGPT. We define seven Metapaths and utilize a transformer framework to aggregate Metapath instances, capturing global contexts and long-distance dependencies. Through intra- and inter-metapath aggregation using attention mechanisms, COMET fuses latent vectors from multiple Metapaths to enhance GDA prediction accuracy. Our method demonstrates superior robustness compared to state-of-the-art approaches. Ablation studies and visualizations validate COMET's effectiveness, providing valuable insights for advancing human health research.

基因疾病图神经网络生物信息

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