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

Machine Learning 2026-03-03 v1 Artificial Intelligence

Abstract

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.

Keywords

Cite

@article{arxiv.2603.00602,
  title  = {Learning to Explore: Policy-Guided Outlier Synthesis for Graph Out-of-Distribution Detection},
  author = {Li Sun and Lanxu Yang and Jiayu Tian and Bowen Fang and Xiaoyan Yu and Junda Ye and Peng Tang and Hao Peng and Philip S. Yu},
  journal= {arXiv preprint arXiv:2603.00602},
  year   = {2026}
}

Comments

Accepted by AAAI'26, 9 pages