Learning to Explore: Policy-Guided Outlier Synthesis for Graph Out-of-Distribution Detection
About
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.
Related benchmarks
| Task | Dataset | Result | Rank | |
|---|---|---|---|---|
| Graph Out-of-Distribution Detection | BZR (ID) COX2 (OOD) | AUC0.948 | 49 | |
| Graph OOD Detection | IMDB-M IMDB-B | AUC0.854 | 36 | |
| Graph Out-of-Distribution Detection | ENZYMES ID PROTEIN OOD | AUC (%)68.9 | 29 | |
| Graph Out-of-Distribution Detection | Tox21 SIDER ID OOD | AUC (%)74.2 | 29 | |
| Graph Out-of-Distribution Detection | ClinTox ID LIPO OOD | AUC0.752 | 29 | |
| Graph Out-of-Distribution Detection | FreeSolv ID ToxCast OOD | AUC0.749 | 29 | |
| Graph Anomaly Detection | MMP | AUC0.717 | 20 | |
| Graph Anomaly Detection | COX2 | AUC0.746 | 20 | |
| Graph Anomaly Detection | NCI1 | AUC76.1 | 20 | |
| Graph Anomaly Detection | ENZYMES | AUC67.1 | 20 |