Subgraph representation learning based on Graph Neural Network (GNN) has exhibited broad applications in scientific advancements, such as predictions of molecular structure-property relationships and collective cellular function. In particular, graph augmentation techniques have shown promising results in improving graph-based and node-based classification tasks. Still, they have rarely been explored in the existing GNN-based subgraph representation learning studies. In this study, we develop a novel multi-view augmentation mechanism to improve subgraph representation learning models and thus the accuracy of downstream prediction tasks. Our augmentation technique creates multiple variants of subgraphs and embeds these variants into the original graph to achieve highly improved training efficiency, scalability, and accuracy. Benchmark experiments on several real-world biological and physiological datasets demonstrate the superiority of our proposed multi-view augmentation techniques in subgraph representation learning.
翻译:以图形神经网络(GNN)为基础的子图代表学习在科学进步中表现出广泛的应用,例如分子结构-财产关系和集体细胞功能的预测,特别是,图形扩增技术在改进基于图形和节点的分类任务方面显示出有希望的成果,但在现有基于GNN的子图代表学习研究中却很少加以探讨。在本研究中,我们开发了一个新型的多视角增强机制,以改进子图代表学习模式,从而改进下游预测任务的准确性。我们的增强技术创造了多种子图和将这些变种嵌入原始图表,以便大大提高培训效率、可缩放性和准确性。关于几个现实世界生物和生理数据集的基准实验显示了我们在子图教学中拟议的多视角增强技术的优越性。