arXiv:2412.12880cs.LG2024-12

通过原图空间增强环境多样性,提升图神经网络在分布外数据上的泛化能力。

Towards Effective Graph Rationalization via Boosting Environment Diversity

  • 在原图空间混合不同图的环境子图,生成多样增强样本
  • 在基准数据集上理性化与分类性能分别提升7.65%和6.11%
  • 适合关注图模型泛化性与可解释性的研究者

图神经网络在训练与测试图来自相同分布时表现良好,但在分布偏移下泛化能力差。现有主流图理性化方法先提取理性子图与环境子图,再通过增强环境子图来多样化训练分布。但这些方法仅在表示空间组合理性与环境子图,难以产生足够多样的分布。为此,本文提出一种在原图空间生成增强样本的图理性化方法(GRBE)。首先,在原图空间提出精确的理性子图提取策略,优化理性子图学习过程;其次,提出环境多样性增强策略,将不同图的环境子图在原图空间混合后,与理性子图结合生成增强图。在基准数据集上,该方法在理性化与分类性能上分别平均提升7.65%和6.11%,显著优于现有先进方法。

原文摘要 · Abstract (English)

Graph Neural Networks (GNNs) perform effectively when training and testing graphs are drawn from the same distribution, but struggle to generalize well in the face of distribution shifts. To address this issue, existing mainstreaming graph rationalization methods first identify rationale and environment subgraphs from input graphs, and then diversify training distributions by augmenting the environment subgraphs. However, these methods merely combine the learned rationale subgraphs with environment subgraphs in the representation space to produce augmentation samples, failing to produce sufficiently diverse distributions. Thus, in this paper, we propose to achieve an effective Graph Rationalization by Boosting Environmental diversity, a GRBE approach that generates the augmented samples in the original graph space to improve the diversity of the environment subgraph. Firstly, to ensure the effectiveness of augmentation samples, we propose a precise rationale subgraph extraction strategy in GRBE to refine the rationale subgraph learning process in the original graph space. Secondly, to ensure the diversity of augmented samples, we propose an environment diversity augmentation strategy in GRBE that mixes the environment subgraphs of different graphs in the original graph space and then combines the new environment subgraphs with rationale subgraphs to generate augmented graphs. The average improvements of 7.65% and 6.11% in rationalization and classification performance on benchmark datasets demonstrate the superiority of GRBE over state-of-the-art approaches.

图神经网络分布外泛化可解释性数据增强

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