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Learning to Explore: Policy-Guided Outlier Synthesis for Graph Out-of-Distribution Detection

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Detecting out-of-distribution (OOD) graphs is crucial for ensuring the safety and reliability of Graph Neural Networks. In unsupervised graph-level OOD detection, models are typically trained using only in-distribution (ID) data, resulting in incomplete feature space characterization and weak decision boundaries. Although synthesizing outliers offers a promising solution, existing approaches rely on fixed, non-adaptive sampling heuristics (e.g., distance- or density-based), limiting their ability to explore informative OOD regions. We propose a Policy-Guided Outlier Synthesis (PGOS) framework that replaces static heuristics with a learned exploration strategy. Specifically, PGOS trains a reinforcement learning agent to navigate low-density regions in a structured latent space and sample representations that most effectively refine the OOD decision boundary. These representations are then decoded into high-quality pseudo-OOD graphs to improve detector robustness. Extensive experiments demonstrate that PGOS achieves state-of-the-art performance on multiple graph OOD and anomaly detection benchmarks.

Li Sun, Lanxu Yang, Jiayu Tian, Bowen Fang, Xiaoyan Yu, Junda Ye, Peng Tang, Hao Peng, Philip S. Yu• 2026

Related benchmarks

TaskDatasetResultRank
Graph Out-of-Distribution DetectionBZR (ID) COX2 (OOD)
AUC0.948
49
Graph OOD DetectionIMDB-M IMDB-B
AUC0.854
36
Graph Out-of-Distribution DetectionENZYMES ID PROTEIN OOD
AUC (%)68.9
29
Graph Out-of-Distribution DetectionTox21 SIDER ID OOD
AUC (%)74.2
29
Graph Out-of-Distribution DetectionClinTox ID LIPO OOD
AUC0.752
29
Graph Out-of-Distribution DetectionFreeSolv ID ToxCast OOD
AUC0.749
29
Graph Anomaly DetectionMMP
AUC0.717
20
Graph Anomaly DetectionCOX2
AUC0.746
20
Graph Anomaly DetectionNCI1
AUC76.1
20
Graph Anomaly DetectionENZYMES
AUC67.1
20
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