arXiv:2502.17912cs.LGcs.AI2025-02ICLR被引 13

针对异质图节点分布外检测难题,提出解耦能量模型提升识别效果。

Decoupled Graph Energy-based Model for Node Out-of-Distribution Detection on Heterophilic Graphs

  • 分离图编码与能量计算,用最大似然训练增强数据分布建模
  • 去除非异质图假设的能量传播,在异质图上提升20.29%准确率
  • 无需训练时暴露分布外数据,适合真实场景中未知异常检测

尽管图像领域的分布外(OOD)检测研究已较为充分,但图学习中节点的OOD检测仍鲜有探索。图节点间存在依赖关系,使得传统基于独立同分布假设的图像方法难以直接适用,尤其在异质图中,节点与其邻居分布差异显著。现有先进方法GNNSafe虽考虑节点依赖,但依赖能量传播且未专门训练数据分布,导致在异质图上性能下降。为此,本文提出DeGEM,通过最大似然训练能量模型以更好建模数据分布,并移除依赖同质性假设的能量传播机制。为解决采样难题,设计解耦架构:图编码器利用拓扑信息生成节点表示,能量头在隐空间独立运算。大量实验表明,该方法在无训练时暴露分布外数据条件下,于同质图平均提升AUROC 6.71%,于异质图提升20.29%,甚至超越需分布外数据训练的方法。代码已开源。

原文摘要 · Abstract (English)

Despite extensive research efforts focused on OOD detection on images, OOD detection on nodes in graph learning remains underexplored. The dependence among graph nodes hinders the trivial adaptation of existing approaches on images that assume inputs to be i.i.d. sampled, since many unique features and challenges specific to graphs are not considered, such as the heterophily issue. Recently, GNNSafe, which considers node dependence, adapted energy-based detection to the graph domain with state-of-the-art performance, however, it has two serious issues: 1) it derives node energy from classification logits without specifically tailored training for modeling data distribution, making it less effective at recognizing OOD data; 2) it highly relies on energy propagation, which is based on homophily assumption and will cause significant performance degradation on heterophilic graphs, where the node tends to have dissimilar distribution with its neighbors. To address the above issues, we suggest training EBMs by MLE to enhance data distribution modeling and remove energy propagation to overcome the heterophily issues. However, training EBMs via MLE requires performing MCMC sampling on both node feature and node neighbors, which is challenging due to the node interdependence and discrete graph topology. To tackle the sampling challenge, we introduce DeGEM, which decomposes the learning process into two parts: a graph encoder that leverages topology information for node representations and an energy head that operates in latent space. Extensive experiments validate that DeGEM, without OOD exposure during training, surpasses previous state-of-the-art methods, achieving an average AUROC improvement of 6.71% on homophilic graphs and 20.29% on heterophilic graphs, and even outperform methods trained with OOD exposure. Our code is available at: https://github.com/draym28/DeGEM.

图神经网络分布外检测异质图能量模型

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