{"about":{"site":"https://codewithpapers.app","non_affiliation":"Code with Papers and Syntology are not affiliated with, endorsed by, or sponsored by Papers with Code, Meta, or the pwc-archive mirror.","licence":"CC BY-SA 4.0","licence_url":"https://creativecommons.org/licenses/by-sa/4.0/legalcode","attribution":"https://codewithpapers.app/attribution","modified":"archive material modified by Syntology; see the attribution page"},"url":"/paper/energy-based-out-of-distribution-detection-2","title":"Energy-based Out-of-Distribution Detection for Graph Neural Networks","arxiv_id":"2302.02914","date":"2023-02-06","proceeding":null,"authors":["Qitian Wu","Yiting Chen","Chenxiao Yang","Junchi Yan"],"abstract":"Learning on graphs, where instance nodes are inter-connected, has become one of the central problems for deep learning, as relational structures are pervasive and induce data inter-dependence which hinders trivial adaptation of existing approaches that assume inputs to be i.i.d.~sampled. However, current models mostly focus on improving testing performance of in-distribution data and largely ignore the potential risk w.r.t. out-of-distribution (OOD) testing samples that may cause negative outcome if the prediction is overconfident on them. In this paper, we investigate the under-explored problem, OOD detection on graph-structured data, and identify a provably effective OOD discriminator based on an energy function directly extracted from graph neural networks trained with standard classification loss. This paves a way for a simple, powerful and efficient OOD detection model for GNN-based learning on graphs, which we call GNNSafe. It also has nice theoretical properties that guarantee an overall distinguishable margin between the detection scores for in-distribution and OOD samples, which, more critically, can be further strengthened by a learning-free energy belief propagation scheme. For comprehensive evaluation, we introduce new benchmark settings that evaluate the model for detecting OOD data from both synthetic and real distribution shifts (cross-domain graph shifts and temporal graph shifts). The results show that GNNSafe achieves up to $17.0\\%$ AUROC improvement over state-of-the-arts and it could serve as simple yet strong baselines in such an under-developed area.","url_abs":"https://arxiv.org/abs/2302.02914v2","url_pdf":"https://arxiv.org/pdf/2302.02914v2.pdf","source":{"archive":"pwc-archive (Hugging Face), CC BY-SA 4.0","snapshot":"2025-07-28","licence_url":"https://creativecommons.org/licenses/by-sa/4.0/legalcode","row_kind":"abstracts"},"code_links":[{"paper_slug":"energy-based-out-of-distribution-detection-2","repo_url":"https://github.com/qitianwu/graphood-gnnsafe","is_official":1,"mentioned_in_paper":1,"mentioned_in_github":0,"framework":"pytorch","reach":{"status":"ok"}}],"tasks":[{"task_slug":"ood-detection","task_name":"Out of Distribution (OOD) Detection"},{"task_slug":"out-of-distribution-detection","task_name":"Out-of-Distribution Detection"}],"methods":[],"datasets_introduced":[],"methods_introduced":[],"results":[],"syntology":{"atlas_url":"https://app.syntology.ai/?focus=2302.02914","mcp":null,"developers":"https://syntology.ai/developers"},"arxiv_metadata":null,"syntology_extracted_results":null}