arXiv:2503.02988cs.LG2025-03AAAI被引 7

提出GPro模型,通过渐进推理提升图神经网络在分布外情况下的泛化能力。

Out-of-Distribution Generalization on Graphs via Progressive Inference

  • 将复杂因果不变性学习拆解为由易到难的多步渐进推理过程。
  • 在分布偏移严重的数据集上,性能相比最优方法提升最高达6.86%。
  • 适合需要强泛化能力的图学习任务,如社交网络、生物分子分析。

图神经网络(GNN)的发展与评估通常基于独立同分布(i.i.d.)假设,但实际中数据生成机制难以控制,常导致显著分布偏移,使多数GNN预测不可靠甚至随机决策。现有提升泛化性的方法倾向于识别输入图中的因果不变部分,但其学习的因果部分与真实因果之间存在显著分布差距。为此,本文提出GPro模型,通过渐进推理学习图因果不变性。具体地,将复杂的因果不变性学习分解为多个由易到难的中间推理步骤,通过渐进过程持续增强模型感知能力,以提取对分布偏移稳定的因果特征。同时,通过生成反事实样本扩大训练分布,提升模型捕捉因果不变部分的能力。大量实验表明,所提GPro平均优于当前最优方法4.91%;在分布偏移更严重的数据集上,性能提升可达6.86%。

原文摘要 · Abstract (English)

The development and evaluation of graph neural networks (GNNs) generally follow the independent and identically distributed (i.i.d.) assumption. Yet this assumption is often untenable in practice due to the uncontrollable data generation mechanism. In particular, when the data distribution shows a significant shift, most GNNs would fail to produce reliable predictions and may even make decisions randomly. One of the most promising solutions to improve the model generalization is to pick out causal invariant parts in the input graph. Nonetheless, we observe a significant distribution gap between the causal parts learned by existing methods and the ground truth, leading to undesirable performance. In response to the above issues, this paper presents GPro, a model that learns graph causal invariance with progressive inference. Specifically, the complicated graph causal invariant learning is decomposed into multiple intermediate inference steps from easy to hard, and the perception of GPro is continuously strengthened through a progressive inference process to extract causal features that are stable to distribution shifts. We also enlarge the training distribution by creating counterfactual samples to enhance the capability of the GPro in capturing the causal invariant parts. Extensive experiments demonstrate that our proposed GPro outperforms the state-of-the-art methods by 4.91% on average. For datasets with more severe distribution shifts, the performance improvement can be up to 6.86%.

图神经网络分布外泛化因果学习

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