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Graph Out-of-Distribution Detection

Graph machine learning has witnessed rapid growth, driving advancements across diverse domains. However, the in-distribution assumption, where training and testing data share the same distribution, often breaks in real-world scenarios, leading to degraded model performance under distribution shifts. This challenge has catalyzed interest in graph out-of-distribution (GOOD) detection, which focuses on identifying graph data that deviates from the distribution seen during training, thereby enhancing model robustness. In this paper, we provide a rigorous definition of GOOD detection and systematically categorize existing methods into four types: enhancement-based, reconstruction-based, information propagation-based, and classification-based approaches. We analyze the principles and mechanisms of each approach and clarify the distinctions between GOOD detection and related fields, such as graph anomaly detection, outlier detection, and GOOD generalization. Beyond methodology, we discuss practical applications and theoretical foundations, highlighting the unique challenges posed by graph data. Finally, we discuss the primary challenges and propose future directions to advance this emerging field.

⭐The full text is available on arXiv: Out-of-Distribution Detection on Graphs: A Survey

We categorize existing methods into four types: Enhancement-based methods (Enha.), Reconstruction-based methods (Reco.), Information Propagation-based methods (Prop.), and Classification-based methods (Clas.). 👇

Summary of GOOD detection methods (The theoretical and application-oriented papers discussed in Section 8.3 are not included in this table).

Method Category Title Evaluation Metrics Datasets Venue Paper Links Code Links Key Words Task Type
1 GKDE Clas. Uncertainty Aware Semi-Supervised Learning on Graph Data AUROC, AUPR Cora, Citeseer, Pubmed, Amazon-Photo, Amazon-Computer, Physics-CA NeurIPS'20 GKDE https://github.com/zxj32/uncertainty-GNN Dirichlet Distribution Node-Level
2 OpenWGL Reco. OpenWGL: Open-World Graph Learning ACC., Macor F1 Cora, Citeseer, DBLP ICDM'20 OpenWGL - Graph Autoencoder Node-Level
3 GPN Prop. Graph Posterior Network: Bayesian Predictive Uncertainty for Node Classification ID-ACC., OOD-ACC., AUROC CoraML, Amazon-Photos, OGBN-Arxiv NeurIPS'21 GPN https://github.com/stadlmax/Graph-Posterior-Network Bayesian Posterior Node-Level
4 NGC Prop. NGC: A Unified Framework for Learning with Open-World Noisy Data ACC. CIFAR-10, CIFAR-100, TinyImageNet, Places-365 ICCV'21 NGC - Contrastive Leaning Graph-Level
5 S-BGCN-T-K Clas. Uncertainty-Aware Graph-Based Multimodal Remote Sensing Detection of Out-Of-Distribution Samples AUROC, AUPR 2018 IEEE GRSS Data Fusion Challenge dataset CIKM'21 S-BGCN-T-K - Knowledge Distillation Node-Level
6 OODGAT Prop. Learning on Graphs with Out-of-Distribution Nodes ACC., AUROC, FPR@95, Macor F1 Cora, Amazon-CS, Amazon-Photo, Coauthor-CS, LastFMAsia, Wiki-CS KDD'22 OODGAT https://github.com/SongYYYY/KDD22-OODGAT Semi-Supervised Learning Node-Level
7 LMN Prop. End-to-End Open-Set Semi-Supervised Node Classification with Out-of-Distribution Detection ACC. Cora, Citeseer,Pubmed, arVix IJCAI'22 LMN - Semi-Supervised Learning Node-Level
8 GraphDE Enha. GraphDE: A Generative Framework for Debiased Learning and Out-of-Distribution Detection on Graphs AUROC, AUPR, FPR@95 Spurious-Motif, MNIST-75sp, Collab, DrugOOD NeurIPS'22 GraphDE https://github.com/Emiyalzn/GraphDE Generative Model Graph-Level
9 OSSC Reco. A Dynamic Variational Framework for Open-World Node Classification in Structured Sequences ACC., AUC, Macor F1 DBLP-5, DBLP-3, Reddit, Brain ICDM'22 OSSC https://github.com/qinzhang11/OSSC Graph Autoencoder Node-Level
10 EL Clas. Well-Classified Examples are Underestimated in Classification with Deep Neural Networks ACC. Proteins, NCI1 AAAI'22 EL https://github.com/lancopku/well-classified-examples-are-underestimated Self-Supervised Learning Node- & Graph-Level
11 AAGOD Clas. A Data-centric Framework to Endow Graph Neural Networks with Out-Of-Distribution Detection Ability AUC, AUPR, FPR@95 ENZYMES, PROTEIN, IMDBM, IMDBB, BZR, COX2, TOX21, SIDER, BBBP, BACE KDD'23 AAGOD https://github.com/BUPT-GAMMA/AAGOD Self-Supervised Learning Graph-Level
12 GNNSafe Prop. Energy-Based Out-of-Distribution Detection for Graph Neural Networks ACC., AUROC, AUPR, FPR@95 Twitch, Arxiv, Cora, Amazon-Photo, Coauthor-CS ICLR'23 GNNSafe https://github.com/qitianwu/GraphOOD-GNNSafe Energy-Based Model Node-Level
13 GOOD-D Enha. GOOD-D: On Unsupervised Graph Out-Of-Distribution Detection AUC BZR, PTC-MR, AIDS, ENZYMES, IMDB-M, Tox21, FreeSolv, BBBP, ClinTox, Esol, COX2, MUTAG, DHFR, PROTEIN, IMDB-B, SIDER, ToxCast, BACE, LIPO, MUV WSDM'23 GOOD-D https://github.com/yixinliu233/G-OOD-D Contrastive Leaning Graph-Level
14 Relation Clas. Neural Relation Graph: A Unified Framework for Identifying Label Noise and Outlier Data AP, TNR95 ImageNet, Places, SUN, iNatualist, Textures NeurIPS'23 Relation https://github.com/snu-mllab/Neural-Relation-Graph Semi-Supervised Learning Graph-Level
15 GPN-CE-GD Enha. Improvements on Uncertainty Quantification for Node Classification via Distance-Based Regularization ID-ACC., AUROC, AUPR CoraML, Citeseer, PubMed NeurIPS'23 GPN-CE-GD https://github.com/neoques/Graph-Posterior-Network Bayesian Posterior Node-Level
16 Open-WRF Prop. Open-World Lifelong Graph Learning ACC., AUROC Cora, Citeseer, Pubmed, OGB-arXiv, DBLP-easy, DBLP-hard IJCNN'23 Open-WRF https://github.com/Bobowner/Open-World-LGL Weakly-Supervised Learning Node- & Graph-Level
17 UGNN Clas. Towards Semi-Supervised Universal Graph Classification ACC. COIL-DEL, Letter-High, MNIST, CIFAR10, Reddit-Mutil-12k, Colors-3 TKDE'23 UGNN - Semi-Supervised Learning Graph-Level
18 GERDQ Prop. Calibrate Graph Neural Networks under Out-of-Distribution Nodes via Deep Q-learning ACC., ECE Cora, Citeseer, Pubmed, Amazon-Photo, Amazon-Computer, Physics-CA CIKM'23 GERDQ https://github.com/DamoSWL/Calibration-of-GNN-with-OOD-nodes Deep Q-Learning Node-Level
19 SGOOD Enha. SGOOD: Substructure-enhanced Graph-Level Out-of-Distribution Detection AUROC, AUPR, FPR@95 ENZYMES, IMDB-M, IMDB-B, Reddit-12k, BACE, BBBP, DrugOOD, HIV CIKM'24 SGOOD https://github.com/TommyDzh/SGOOD Self-Supervised Learning Graph-Level
20 GOODAT Enha. GOODAT: Towards Test-time Graph Out-of-Distribution Detection AUC BZR, PTC-MR, AIDS, ENZYMES, IMDB-M, Tox21, FreeSolv, BBBP, ClinTox, Esol, COX2, MUTAG, DHFR, PROTEIN, IMDB-B, SIDER, ToxCast, BACE, LIPO, MUV AAAI'24 GOODAT - Information Bottleneck Graph-Level
21 TopoOOD Prop. Graph Out-of-Distribution Detection Goes Neighborhood Shaping ACC., AUROC, AUPR, FPR@95 Twitch, Arxiv, Cora, Amazon, Coauthor ICML'24 TopoOOD - Dirichlet Energy Node-Level
22 NODESAFE Prop. Bounded and Uniform Energy-based Out-of-distribution Detection for Graphs ACC., AUROC, AUPR, FPR@95 Twitch, Arxiv, Cora, Amazon, Coauthor ICML'24 NODESAFE https://github.com/ShenzhiYang2000/NODESAFE Energy-Based Model Node-Level
23 GNSD Prop. Graph Neural Stochastic Diffusion for Estimating Uncertainty in Node Classification ACC., AUROC, AUPR, FPR@95 Amazon-Computers, Cora, Citeseer, Pubmed, Arxiv ICML'24 GNSD - Diffusion Model Node-Level
24 PGR-MOOD Reco. Optimizing OOD Detection in Molecular Graphs: A Novel Approach with Diffusion Models AUROC, AUPR, FPR@95 GOOD-HIV, GOOD-PCBA, DrugOOD-IC50, DrugOOD-EC50 KDD'24 PGR-MOOD https://github.com/se7esx/PGR-MOOD Diffusion Model Graph-Level
25 EnergyDef Prop. An Energy-centric Framework for Category-free Out-of-distribution Node Detection in Graphs AUROC, AUPR, FPR@95 Squirrel, WikiCS, YelpChi, Amazon, Reddit KDD'24 EnergyDef https://github.com/KellyGong/EnergyDef Energy-Based Model Node-Level
26 HGOE Enha. HGOE: Hybrid External and Internal Graph Outlier Exposure for Graph Out-of-Distribution Detection AUC AIDS, DHFR, ENZYMES, PROTEIN, IMDB-M, IMDB-B, Tox21, SIDER, FreeSolv, ToxCast, BBBP, BACE, ClinTox, LIPO, Esol, MUV, BZR, COX2, PTC_MR, MUTAG MM'24 HGOE - Outlier Exposure Graph-Level
27 SMUG Enha. SMUG: Sand Mixing for Unobserved Class Detection in Graph Few-Shot Learning AUROC Cora, DBLP, Amazon-Clothing, Amazon-Electronics WWW'24 SMUG - Few-Shot Learning Node-Level
28 ML-GOOD Prop. ML-GOOD: Towards Multi-Label Graph Out-Of-Distribution Detection ACC., AUROC, AUPR, FPR@95 OGB-Proteins, PPI, DBLP, PCG, HumLoc, EukLoc AAAI'25 ML-GOOD https://github.com/ca1man-2022/ML-GOOD Energy-Based Model Node-Level
29 GRASP Prop. Revisiting Score Propagation in Graph Out-of-Distribution Detection AUROC, FPR@95 Arxiv-year, Cora, Amazon, Coauthor, Chameleon, Squirrel, Reddit2, ogbn-Product, snap-patents, wiki NeurIPS'24 GRASP https://github.com/longfei-ma/GRASP Graph Augmentation Node-Level
30 GOLD Enha. GOLD: Graph Out-of-Distribution Detection via Implicit Adversarial Latent Generation AUROC, FPR@95 Twitch, Arxiv, Cora, Amazon, Coauthor ICLR'25 GOLD https://github.com/DannyW618/GOLD Generative Model Node-Level
31 DeGEM Enha. Decoupled Graph Energy-based Model for Node Out-of-Distribution Detection on Heterophilic Graphs AUROC, FPR@95 Twitch, Arxiv, ogbn-Cora, Amazon-Photo, Chameleon, Actor, Cornell ICLR'25 DeGEM - Energy-Based Model Node-Level
32 EDBD Prop. Spreading Out-of-Distribution Detection on Graphs AUROC, FPR@95 Cora, Amazon-Photo, Amazon-Computers, Coauthor-CS ICLR'25 EDBD - Energy-Based Model Node-Level

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