用扩散模型同时处理图数据的特征与类别分布漂移,提升未知类图的检测精度。
GDDA: Semantic OOD Detection on Graphs under Covariate Shift via Score-Based Diffusion Models
- 分两阶段解耦图表示为语义与风格因素,分离分布偏移影响。
- 在三个基准数据集上,对未知类图的检测准确率优于现有方法。
- 适合关注开放世界图神经网络鲁棒性的研究者和工业应用开发者。
图神经网络在开放世界场景下的分布外(OOD)检测面临挑战,尤其当数据同时存在语义分布偏移(类别变化)与协变量偏移(特征变化)时。现有方法多聚焦单一偏移类型,未充分应对两者共现的情况。本文提出图级语义OOD检测在协变量偏移下的新挑战:训练与测试域中同时存在特征与类别分布变化,仅未知类别的图被视为OOD样本。为此,我们提出双阶段框架GDDA:第一阶段将图表示解耦为领域不变的语义因子与领域特定的风格因子;第二阶段引入基于得分的生成扩散模型,可控生成超出训练语义与风格空间的潜在因子。同时使用伪InD与伪OOD图表示增强能量基语义检测器效果。在三个基准数据集上的实证研究表明,该方法显著优于当前最优基线。
原文摘要 · Abstract (English)
Out-of-distribution (OOD) detection poses a significant challenge for Graph Neural Networks (GNNs), particularly in open-world scenarios with varying distribution shifts. Most existing OOD detection methods on graphs primarily focus on identifying instances in test data domains caused by either semantic shifts (changes in data classes) or covariate shifts (changes in data features), while leaving the simultaneous occurrence of both distribution shifts under-explored. In this work, we address both types of shifts simultaneously and introduce a novel challenge for OOD detection on graphs: graph-level semantic OOD detection under covariate shift. In this scenario, variations between the training and test domains result from the concurrent presence of both covariate and semantic shifts, where only graphs associated with unknown classes are identified as OOD samples (OODs). To tackle this challenge, we propose a novel two-phase framework called Graph Disentangled Diffusion Augmentation (GDDA). The first phase focuses on disentangling graph representations into domain-invariant semantic factors and domain-specific style factors. In the second phase, we introduce a novel distribution-shift-controlled score-based generative diffusion model that generates latent factors outside the training semantic and style spaces. Additionally, auxiliary pseudo-in-distribution (InD) and pseudo-OOD graph representations are employed to enhance the effectiveness of the energy-based semantic OOD detector. Extensive empirical studies on three benchmark datasets demonstrate that our approach outperforms state-of-the-art baselines.
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