arXiv:2601.14536cs.LGq-bio.GN2026-01

融合已知网络与数据生成图,提升组学数据疾病分类与特征筛选效果

engGNN: A Dual-Graph Neural Network for Omics-Based Disease Classification and Feature Selection

  • 构建外部生物网络与树模型生成的双图结构
  • 在真实基因表达数据上分类准确率超越现有方法
  • 输出可解释特征重要性,助力生物通路发现

组学数据(如转录组、蛋白质组、代谢组)为疾病机制与临床结局提供关键信息,但其高维性、小样本量及复杂的生物网络给可靠预测与有意义解释带来挑战。图神经网络(GNN)可通过编码特征关系来整合先验知识。然而,现有方法通常仅依赖外部构建或数据驱动的单一图结构,难以捕捉互补信息。为此,我们提出engGNN——一种联合利用外部已知生物网络与数据驱动生成图的双图框架。具体而言,engGNN从权威数据库构建生物学启发的无向特征图,并通过树集成模型生成有向特征图进行补充。该双图设计生成更全面的嵌入表示,从而提升预测性能与可解释性。在大量模拟实验和真实基因表达数据上的应用表明,engGNN持续优于现有先进基线。除分类外,engGNN还能输出可解释的特征重要性评分,支持生物通路富集分析等有意义发现。综上,engGNN是一种鲁棒、灵活且可解释的组学疾病分类与生物标志物发现框架。

原文摘要 · Abstract (English)

Omics data, such as transcriptomics, proteomics, and metabolomics, provide critical insights into disease mechanisms and clinical outcomes. However, their high dimensionality, small sample sizes, and intricate biological networks pose major challenges for reliable prediction and meaningful interpretation. Graph Neural Networks (GNNs) offer a promising way to integrate prior knowledge by encoding feature relationships as graphs. Yet, existing methods typically rely solely on either an externally curated feature graph or a data-driven generated one, which limits their ability to capture complementary information. To address this, we propose the external and generated Graph Neural Network (engGNN), a dual-graph framework that jointly leverages both external known biological networks and data-driven generated graphs. Specifically, engGNN constructs a biologically informed undirected feature graph from established network databases and complements it with a directed feature graph derived from tree-ensemble models. This dual-graph design produces more comprehensive embeddings, thereby improving predictive performance and interpretability. Through extensive simulations and real-world applications to gene expression data, engGNN consistently outperforms state-of-the-art baselines. Beyond classification, engGNN provides interpretable feature importance scores that facilitate biologically meaningful discoveries, such as pathway enrichment analysis. Taken together, these results highlight engGNN as a robust, flexible, and interpretable framework for disease classification and biomarker discovery in high-dimensional omics contexts.

图神经网络组学分析生物标志物可解释性

Thank you to arXiv for use of its open access interoperability. PaperDance 不是 arXiv 官方产品;中文卡片由大模型生成,请以原文为准。