| Triplet Interaction Improves Graph Transformers: Accurate Molecular Graph Learning with Triplet Graph Transformers | Feb 7, 2024 | Drug DiscoveryGraph Learning | CodeCode Available | 2 |
| EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations | Jun 21, 2023 | Graph Property Prediction | CodeCode Available | 2 |
| Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs | Jun 23, 2022 | Graph AttentionGraph Neural Network | CodeCode Available | 2 |
| Recipe for a General, Powerful, Scalable Graph Transformer | May 25, 2022 | Graph ClassificationGraph Property Prediction | CodeCode Available | 2 |
| Do Transformers Really Perform Bad for Graph Representation? | Jun 9, 2021 | Graph ClassificationGraph Property Prediction | CodeCode Available | 2 |
| Identity-aware Graph Neural Networks | Jan 25, 2021 | Graph ClassificationGraph Property Prediction | CodeCode Available | 2 |
| Unlocking the Potential of Classic GNNs for Graph-level Tasks: Simple Architectures Meet Excellence | Feb 13, 2025 | Graph ClassificationGraph Property Prediction | CodeCode Available | 2 |
| GotenNet: Rethinking Efficient 3D Equivariant Graph Neural Networks | Apr 24, 2025 | Atomic ForcesComputational Efficiency | CodeCode Available | 2 |
| Weisfeiler and Lehman Go Cellular: CW Networks | Jun 23, 2021 | Graph ClassificationGraph Property Prediction | CodeCode Available | 1 |
| A new perspective on building efficient and expressive 3D equivariant graph neural networks | Apr 7, 2023 | Graph Property PredictionMolecular Property Prediction | CodeCode Available | 1 |
| Breaking the Expressive Bottlenecks of Graph Neural Networks | Dec 14, 2020 | Graph Property Prediction | CodeCode Available | 1 |
| Data-Centric Learning from Unlabeled Graphs with Diffusion Model | Mar 17, 2023 | DenoisingGraph Property Prediction | CodeCode Available | 1 |
| Directed Acyclic Graph Neural Networks | Jan 20, 2021 | Graph Neural NetworkGraph Property Prediction | CodeCode Available | 1 |
| Global Self-Attention as a Replacement for Graph Convolution | Aug 7, 2021 | Edge ClassificationGraph Classification | CodeCode Available | 1 |
| Generative Adversarial Networks | Jun 10, 2014 | Graph Property PredictionSuper-Resolution | CodeCode Available | 1 |
| Geometric and Physical Quantities Improve E(3) Equivariant Message Passing | Oct 6, 2021 | Graph Property Prediction | CodeCode Available | 1 |
| Global Concept Explanations for Graphs by Contrastive Learning | Apr 25, 2024 | Contrastive LearningFairness | CodeCode Available | 1 |
| Graph neural networks with configuration cross-attention for tensor compilers | May 26, 2024 | Graph Property PredictionGraph Regression | CodeCode Available | 1 |
| Graph Propagation Transformer for Graph Representation Learning | May 19, 2023 | Graph LearningGraph Property Prediction | CodeCode Available | 1 |
| Graph Property Prediction on Open Graph Benchmark: A Winning Solution by Graph Neural Architecture Search | Jul 13, 2022 | feature selectionGraph Classification | CodeCode Available | 1 |
| Graph Transformers for Large Graphs | Dec 18, 2023 | Graph LearningGraph Property Prediction | CodeCode Available | 1 |
| How Attentive are Graph Attention Networks? | May 30, 2021 | Graph AttentionGraph Classification | CodeCode Available | 1 |
| A New Perspective on the Effects of Spectrum in Graph Neural Networks | Dec 14, 2021 | Graph ClassificationGraph Property Prediction | CodeCode Available | 1 |
| Learning Large Graph Property Prediction via Graph Segment Training | May 21, 2023 | Graph Property PredictionPrediction | CodeCode Available | 1 |
| Learning Long Range Dependencies on Graphs via Random Walks | Jun 5, 2024 | Graph ClassificationGraph Property Prediction | CodeCode Available | 1 |
| Nested Graph Neural Networks | Oct 25, 2021 | Graph ClassificationGraph Neural Network | CodeCode Available | 1 |
| Large-scale Robust Deep AUC Maximization: A New Surrogate Loss and Empirical Studies on Medical Image Classification | Dec 6, 2020 | ClassificationGeneral Classification | CodeCode Available | 1 |
| Shortest Path Networks for Graph Property Prediction | Jun 2, 2022 | Graph ClassificationGraph Neural Network | CodeCode Available | 1 |
| Towards Neural Scaling Laws for Foundation Models on Temporal Graphs | Jun 14, 2024 | Graph LearningGraph Property Prediction | CodeCode Available | 1 |
| TpuGraphs: A Performance Prediction Dataset on Large Tensor Computational Graphs | Aug 25, 2023 | Graph Property PredictionPrediction | CodeCode Available | 1 |
| Transformers Meet Directed Graphs | Jan 31, 2023 | graph constructionGraph Property Prediction | CodeCode Available | 1 |
| Transformers over Directed Acyclic Graphs | Oct 24, 2022 | Graph Property PredictionGraph Representation Learning | CodeCode Available | 1 |
| Simple GNN Regularisation for 3D Molecular Property Prediction & Beyond | Jun 15, 2021 | DenoisingDiversity | CodeCode Available | 1 |
| Wasserstein Embedding for Graph Learning | Jun 16, 2020 | Computational EfficiencyGraph Classification | CodeCode Available | 1 |
| E(n) Equivariant Graph Neural Networks | Feb 19, 2021 | Graph Property PredictionRepresentation Learning | CodeCode Available | 1 |
| GStarX: Explaining Graph Neural Networks with Structure-Aware Cooperative Games | Jan 28, 2022 | AttributeFeature Importance | CodeCode Available | 1 |
| Graph Generative Pre-trained Transformer | Jan 2, 2025 | Graph GenerationGraph Property Prediction | —Unverified | 0 |
| Graph Neural Networks Go Forward-Forward | Feb 10, 2023 | Graph Property PredictionProperty Prediction | —Unverified | 0 |
| Message-Passing State-Space Models: Improving Graph Learning with Modern Sequence Modeling | May 24, 2025 | Computational EfficiencyGraph Learning | —Unverified | 0 |
| Graph Positional Autoencoders as Self-supervised Learners | May 29, 2025 | Graph Property PredictionMissing Elements | —Unverified | 0 |
| Affinity-Aware Graph Networks | Jun 23, 2022 | Graph Property PredictionGraph Regression | —Unverified | 0 |
| Weisfeiler and Lehman Go Paths: Learning Topological Features via Path Complexes | Aug 13, 2023 | Graph ClassificationGraph Property Prediction | —Unverified | 0 |
| Attacking Graph Neural Networks with Bit Flips: Weisfeiler and Lehman Go Indifferent | Nov 2, 2023 | Graph Neural NetworkGraph Property Prediction | —Unverified | 0 |
| Addressing Over-Smoothing in Graph Neural Networks via Deep Supervision | Feb 25, 2022 | Graph Property PredictionProperty Prediction | —Unverified | 0 |
| BGL: GPU-Efficient GNN Training by Optimizing Graph Data I/O and Preprocessing | Dec 16, 2021 | GPUGraph Property Prediction | —Unverified | 0 |
| Next Level Message-Passing with Hierarchical Support Graphs | Jun 22, 2024 | Graph ClassificationGraph Learning | CodeCode Available | 0 |
| An Empirical Study of Retrieval-enhanced Graph Neural Networks | Jun 1, 2022 | Graph Neural NetworkGraph Property Prediction | CodeCode Available | 0 |
| Graph convolutions that can finally model local structure | Nov 30, 2020 | Graph Property Prediction | CodeCode Available | 0 |
| Improving Graph Property Prediction with Generalized Readout Functions | Sep 21, 2020 | Graph Property PredictionPrediction | CodeCode Available | 0 |
| DeeperGCN: All You Need to Train Deeper GCNs | Jun 13, 2020 | AllGraph Learning | CodeCode Available | 0 |
