arXiv:2502.05780cs.LG2025-02ICLR被引 23

无需真实异常数据,通过生成对抗隐式模拟异常节点,提升图神经网络的异常检测能力。

GOLD: Graph Out-of-Distribution Detection via Implicit Adversarial Latent Generation

  • 用动态GNN生成的嵌入与对抗训练结合,隐式构造异常节点
  • 在5个基准数据集上性能超越现有无需真实异常数据的方法
  • 适合缺乏异常样本但需高鲁棒性图模型的工业场景

尽管图神经网络在建模图结构数据方面取得显著成功,但分布外(OOD)测试实例仍是当前图神经网络的重大挑战。目前最有效的节点级OOD检测方法依赖额外的异常节点集合进行模型暴露,但实际中异常样本往往难以获取。针对图像数据的最新方法通过生成模型(如Stable Diffusion)合成异常数据,但此类方法需大量附加数据及通用预训练生成模型,不适用于图数据。为此,本文提出GOLD框架,一种无需预训练模型的隐式对抗学习流程,通过合成异常暴露实现图数据的OOD检测。该方法采用新型交替优化机制:(1) 训练一个潜在生成模型,持续模仿演化中的GNN产生的分布内(ID)嵌入;(2) 同时训练GNN编码器与OOD检测器,在准确分类分布内数据的同时,增大分布内嵌入与生成模型合成嵌入之间的能量差异。该机制将合成嵌入隐式转化为相对于分布内数据的伪异常实例,有效模拟了对异常场景的暴露,而无需辅助数据。在五个基准图数据集上进行的广泛实验表明,GOLD在不使用真实异常数据的情况下,性能优于最先进的暴露与非暴露基线方法。

原文摘要 · Abstract (English)

Despite graph neural networks' (GNNs) great success in modelling graph-structured data, out-of-distribution (OOD) test instances still pose a great challenge for current GNNs. One of the most effective techniques to detect OOD nodes is to expose the detector model with an additional OOD node-set, yet the extra OOD instances are often difficult to obtain in practice. Recent methods for image data address this problem using OOD data synthesis, typically relying on pre-trained generative models like Stable Diffusion. However, these approaches require vast amounts of additional data, as well as one-for-all pre-trained generative models, which are not available for graph data. Therefore, we propose the GOLD framework for graph OOD detection, an implicit adversarial learning pipeline with synthetic OOD exposure without pre-trained models. The implicit adversarial training process employs a novel alternating optimisation framework by training: (1) a latent generative model to regularly imitate the in-distribution (ID) embeddings from an evolving GNN, and (2) a GNN encoder and an OOD detector to accurately classify ID data while increasing the energy divergence between the ID embeddings and the generative model's synthetic embeddings. This novel approach implicitly transforms the synthetic embeddings into pseudo-OOD instances relative to the ID data, effectively simulating exposure to OOD scenarios without auxiliary data. Extensive OOD detection experiments are conducted on five benchmark graph datasets, verifying the superior performance of GOLD without using real OOD data compared with the state-of-the-art OOD exposure and non-exposure baselines.

图神经网络异常检测生成对抗无监督

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