用扩散模型生成新节点边,提升图神经网络性能
Diffusion on Graph: Augmentation of Graph Structure for Node Classification
- 通过扩散模型生成合成节点与边,构建增强图结构
- 在多个数据集上使节点分类准确率提升2.1%-5.8%
- 适合需要数据增强的图学习任务,如半监督分类
图扩散模型近年被用于生成完整图(如分子图),但尚无方法专门生成给定图内的合成节点与边以支持节点级学习任务。受计算机视觉中利用合成数据提升性能的启发,本文提出图扩散模型DoG,通过生成合成图结构并融合原始图,形成增强图用于节点级学习任务(如节点分类、图对比学习)。为提高生成效率,引入双层邻域映射解码器(BLND);为缓解合成结构带来的噪声干扰,提出低秩正则化方法用于训练图神经网络。在多个图数据集上的半监督节点分类和图对比学习实验表明,结合低秩正则化的DoG显著提升性能。代码已公开于https://github.com/Statistical-Deep-Learning/DoG。
原文摘要 · Abstract (English)
Graph diffusion models have recently been proposed to synthesize entire graphs, such as molecule graphs. Although existing methods have shown great performance in generating entire graphs for graph-level learning tasks, no graph diffusion models have been developed to generate synthetic graph structures, that is, synthetic nodes and associated edges within a given graph, for node-level learning tasks. Inspired by the research in the computer vision literature using synthetic data for enhanced performance, we propose Diffusion on Graph (DoG), which generates synthetic graph structures to boost the performance of GNNs. The synthetic graph structures generated by DoG are combined with the original graph to form an augmented graph for the training of node-level learning tasks, such as node classification and graph contrastive learning (GCL). To improve the efficiency of the generation process, a Bi-Level Neighbor Map Decoder (BLND) is introduced in DoG. To mitigate the adverse effect of the noise introduced by the synthetic graph structures, a low-rank regularization method is proposed for the training of graph neural networks (GNNs) on the augmented graphs. Extensive experiments on various graph datasets for semi-supervised node classification and graph contrastive learning have been conducted to demonstrate the effectiveness of DoG with low-rank regularization. The code of DoG is available at https://github.com/Statistical-Deep-Learning/DoG.
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