% Key papers for Graph out-of-distribution generalization (scime atlas, https://atlas.scime.ai). Authors are not included: add them from the paper pages. @inproceedings{aaai2023_drugood_3506, title = {{DrugOOD: Out-of-Distribution Dataset Curator and Benchmark for AI-Aided Drug Discovery – a Focus on Affinity Prediction Problems with Noise Annotations}}, booktitle = {AAAI Conference on Artificial Intelligence (AAAI)}, year = {2023}, url = {https://ojs.aaai.org/index.php/AAAI/article/view/25970}, } @inproceedings{neurips2022_learning_64181, title = {{Learning Causally Invariant Representations for Out-of-Distribution Generalization on Graphs}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2022}, url = {https://nips.cc/virtual/2022/poster/54643}, } @inproceedings{iclr2022_handling_31067, title = {{Handling Distribution Shifts on Graphs: An Invariance Perspective}}, booktitle = {International Conference on Learning Representations (ICLR)}, year = {2022}, url = {https://iclr.cc/virtual/2022/poster/7180}, } @inproceedings{neurips2022_good_64121, title = {{GOOD: A Graph Out-of-Distribution Benchmark}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2022}, url = {https://nips.cc/virtual/2022/poster/55695}, } @inproceedings{aaai2024_goodat_6093, title = {{GOODAT: Towards Test-Time Graph Out-of-Distribution Detection}}, booktitle = {AAAI Conference on Artificial Intelligence (AAAI)}, year = {2024}, url = {https://ojs.aaai.org/index.php/AAAI/article/view/29480}, } @inproceedings{aaai2024_graph_6155, title = {{Graph Invariant Learning with Subgraph Co-mixup for Out-of-Distribution Generalization}}, booktitle = {AAAI Conference on Artificial Intelligence (AAAI)}, year = {2024}, url = {https://ojs.aaai.org/index.php/AAAI/article/view/28700}, } @inproceedings{neurips2022_learning_65389, title = {{Learning Invariant Graph Representations for Out-of-Distribution Generalization}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2022}, url = {https://nips.cc/virtual/2022/poster/55398}, } @inproceedings{cvpr2023_mind_21566, title = {{Mind the Label Shift of Augmentation-Based Graph OOD Generalization}}, booktitle = {IEEE/CVF Conference on Computer Vision and Pattern Recognition (CVPR)}, year = {2023}, url = {https://cvpr.thecvf.com/virtual/2023/poster/23236}, } @inproceedings{neurips2023_joint_70057, title = {{Joint Learning of Label and Environment Causal Independence for Graph Out-of-Distribution Generalization}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2023}, url = {https://nips.cc/virtual/2023/poster/69915}, } @inproceedings{icml2021_size_39954, title = {{Size-Invariant Graph Representations for Graph Classification Extrapolations}}, booktitle = {International Conference on Machine Learning (ICML)}, year = {2021}, url = {https://icml.cc/virtual/2021/poster/9239}, } @inproceedings{iclr2023_energy_33444, title = {{Energy-based Out-of-Distribution Detection for Graph Neural Networks}}, booktitle = {International Conference on Learning Representations (ICLR)}, year = {2023}, url = {https://iclr.cc/virtual/2023/poster/11526}, } @inproceedings{neurips2022_graphde_65894, title = {{GraphDE: A Generative Framework for Debiased Learning and Out-of-Distribution Detection on Graphs}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2022}, url = {https://nips.cc/virtual/2022/poster/54922}, } @inproceedings{neurips2023_unleashing_69083, title = {{Unleashing the Power of Graph Data Augmentation on Covariate Distribution Shift}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2023}, url = {https://nips.cc/virtual/2023/poster/70792}, } @inproceedings{cvpr2024_improving_23775, title = {{Improving Out-of-Distribution Generalization in Graphs via Hierarchical Semantic Environments}}, booktitle = {IEEE/CVF Conference on Computer Vision and Pattern Recognition (CVPR)}, year = {2024}, url = {https://cvpr.thecvf.com/virtual/2024/poster/30950}, } @inproceedings{aaai2025_structural_10856, title = {{Structural Entropy Guided Unsupervised Graph Out-Of-Distribution Detection}}, booktitle = {AAAI Conference on Artificial Intelligence (AAAI)}, year = {2025}, url = {https://ojs.aaai.org/index.php/AAAI/article/view/33897}, } @inproceedings{neurips2023_does_67445, title = {{Does Invariant Graph Learning via Environment Augmentation Learn Invariance?}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2023}, url = {https://nips.cc/virtual/2023/poster/72288}, } @inproceedings{neurips2023_spectral_68124, title = {{Spectral Invariant Learning for Dynamic Graphs under Distribution Shifts}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2023}, url = {https://nips.cc/virtual/2023/poster/71660}, } @inproceedings{aaai2025_out_10230, title = {{Out-of-Distribution Generalization on Graphs via Progressive Inference}}, booktitle = {AAAI Conference on Artificial Intelligence (AAAI)}, year = {2025}, url = {https://ojs.aaai.org/index.php/AAAI/article/view/33414}, } @inproceedings{aaai2025_subgraph_10867, title = {{Subgraph Aggregation for Out-of-Distribution Generalization on Graphs}}, booktitle = {AAAI Conference on Artificial Intelligence (AAAI)}, year = {2025}, url = {https://ojs.aaai.org/index.php/AAAI/article/view/34065}, } @inproceedings{neurips2024_revisiting_73531, title = {{Revisiting Score Propagation in Graph Out-of-Distribution Detection}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2024}, url = {https://neurips.cc/virtual/2024/poster/93946}, } @inproceedings{aaai2025_expand_9046, title = {{Expand Horizon: Graph Out-of-Distribution Generalization via Multi-Level Environment Inference}}, booktitle = {AAAI Conference on Artificial Intelligence (AAAI)}, year = {2025}, url = {https://ojs.aaai.org/index.php/AAAI/article/view/33444}, } @inproceedings{aaai2024_maxent_6610, title = {{MaxEnt Loss: Calibrating Graph Neural Networks under Out-of-Distribution Shift (Student Abstract)}}, booktitle = {AAAI Conference on Artificial Intelligence (AAAI)}, year = {2024}, url = {https://ojs.aaai.org/index.php/AAAI/article/view/30487}, } @inproceedings{icml2025_graph_46871, title = {{Graph Neural Network Generalization With Gaussian Mixture Model Based Augmentation}}, booktitle = {International Conference on Machine Learning (ICML)}, year = {2025}, url = {https://icml.cc/virtual/2025/poster/45707}, } @inproceedings{neurips2024_dissecting_70690, title = {{Dissecting the Failure of Invariant Learning on Graphs}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2024}, url = {https://neurips.cc/virtual/2024/poster/96433}, } @inproceedings{neurips2024_bridging_74068, title = {{Bridging OOD Detection and Generalization: A Graph-Theoretic View}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2024}, url = {https://neurips.cc/virtual/2024/poster/93462}, } @inproceedings{aaai2026_llm_107259, title = {{LLM-Enhanced Energy Contrastive Learning for Out-of-Distribution Detection in Text-Attributed Graphs}}, booktitle = {AAAI Conference on Artificial Intelligence (AAAI)}, year = {2026}, url = {https://ojs.aaai.org/index.php/AAAI/article/view/39611}, } @inproceedings{icml2024_empowering_45611, title = {{Empowering Graph Invariance Learning with Deep Spurious Infomax}}, booktitle = {International Conference on Machine Learning (ICML)}, year = {2024}, url = {https://icml.cc/virtual/2024/poster/32841}, } @inproceedings{icml2025_topology_46057, title = {{Topology-Aware Dynamic Reweighting for Distribution Shifts on Graph}}, booktitle = {International Conference on Machine Learning (ICML)}, year = {2025}, url = {https://icml.cc/virtual/2025/poster/46500}, } @inproceedings{icml2026_what_55377, title = {{What Information Matters? Graph Out-of-Distribution Detection via Tri-Component Information Decomposition}}, booktitle = {International Conference on Machine Learning (ICML)}, year = {2026}, url = {https://openreview.net/forum?id=ySUfgY6twT}, } @inproceedings{neurips2025_quantifying_76401, title = {{Quantifying Distributional Invariance in Causal Subgraph for IRM-Free Graph Generalization}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2025}, url = {https://openreview.net/forum?id=IpYEKM0Bla}, } @inproceedings{neurips2025_geometric_78605, title = {{Geometric Logit Decoupling for Energy-Based Graph Out-of-distribution Detection}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2025}, url = {https://openreview.net/forum?id=gPPPfwU4jj}, } @inproceedings{neurips2025_refining_79036, title = {{Refining Norms: A Post-hoc Framework for OOD Detection in Graph Neural Networks}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2025}, url = {https://openreview.net/forum?id=kxuIIMBVTg}, } @inproceedings{neurips2025_pruning_79125, title = {{Pruning Spurious Subgraphs for Graph Out-of-Distribution Generalization}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2025}, url = {https://openreview.net/forum?id=lvDsc5lxma}, }