用图神经网络融合多组学数据,提升31种癌症分类准确率至95.9%。
Comparative Analysis of Multi-Omics Integration Using Advanced Graph Neural Networks for Cancer Classification
- 构建基因相关性与蛋白互作图,结合LASSO筛选特征
- GAT模型在31类癌症分类中达95.9%准确率,优于GCN和GTN
- 可揭示癌症分子特征,适合生物标志物研究者使用
多组学数据正被广泛用于推动癌症分类的计算方法。然而,由于高维度、数据复杂性和各类组学特性差异,多组学数据整合面临挑战。本研究评估了三种基于图卷积网络(GCN)、图注意力网络(GAT)和图变压器网络(GTN)的图神经网络架构,用于31种癌症类型及正常组织的分类。为应对多组学数据的高维度问题,采用LASSO回归进行特征选择,构建了LASSO-MOGCN、LASSO-MOGAT和LASSO-MOTGN模型。网络图结构基于基因相关矩阵和蛋白-蛋白互作网络,整合了信使RNA、微小RNA和DNA甲基化数据。该整合使网络能动态关注生物实体间关键关系,提升模型性能与可解释性。其中,基于相关性的图结构的LASSO-MOGAT模型达到95.9%的准确率,在精确率、召回率和F1分数上均优于其他模型。结果表明,图结构整合多组学数据能有效提升癌症分类性能,揭示独特分子模式,有助于理解癌症生物学并发现疾病进展潜在生物标志物。
原文摘要 · Abstract (English)
Multi-omics data is increasingly being utilized to advance computational methods for cancer classification. However, multi-omics data integration poses significant challenges due to the high dimensionality, data complexity, and distinct characteristics of various omics types. This study addresses these challenges and evaluates three graph neural network architectures for multi-omics (MO) integration based on graph-convolutional networks (GCN), graph-attention networks (GAT), and graph-transformer networks (GTN) for classifying 31 cancer types and normal tissues. To address the high-dimensionality of multi-omics data, we employed LASSO (Least Absolute Shrinkage and Selection Operator) regression for feature selection, leading to the creation of LASSO-MOGCN, LASSO-MOGAT, and LASSO-MOTGN models. Graph structures for the networks were constructed using gene correlation matrices and protein-protein interaction networks for multi-omics integration of messenger-RNA, micro-RNA, and DNA methylation data. Such data integration enables the networks to dynamically focus on important relationships between biological entities, improving both model performance and interpretability. Among the models, LASSO-MOGAT with a correlation-based graph structure achieved state-of-the-art accuracy (95.9%) and outperformed the LASSO-MOGCN and LASSO-MOTGN models in terms of precision, recall, and F1-score. Our findings demonstrate that integrating multi-omics data in graph-based architectures enhances cancer classification performance by uncovering distinct molecular patterns that contribute to a better understanding of cancer biology and potential biomarkers for disease progression.
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