| Spherical Channels for Modeling Atomic Interactions | Jun 29, 2022 | 10-shot image generationComputational chemistry | CodeCode Available | 4 |
| RecBole 2.0: Towards a More Up-to-Date Recommendation Library | Jun 15, 2022 | BenchmarkingData Augmentation | CodeCode Available | 4 |
| NeuralOM: Neural Ocean Model for Subseasonal-to-Seasonal Simulation | May 27, 2025 | Computational EfficiencyGraph Neural Network | CodeCode Available | 3 |
| GFM-RAG: Graph Foundation Model for Retrieval Augmented Generation | Feb 3, 2025 | Graph Neural NetworkKnowledge Graphs | CodeCode Available | 3 |
| Semi-supervised Credit Card Fraud Detection via Attribute-Driven Graph Representation | Dec 24, 2024 | AttributeFraud Detection | CodeCode Available | 3 |
| General Geospatial Inference with a Population Dynamics Foundation Model | Nov 11, 2024 | BenchmarkingGraph Neural Network | CodeCode Available | 3 |
| TopoTune : A Framework for Generalized Combinatorial Complex Neural Networks | Oct 9, 2024 | Graph Neural Network | CodeCode Available | 3 |
| RelBench: A Benchmark for Deep Learning on Relational Databases | Jul 29, 2024 | Deep LearningFeature Engineering | CodeCode Available | 3 |
| Segment Anything Model for Road Network Graph Extraction | Mar 24, 2024 | Graph LearningGraph Neural Network | CodeCode Available | 3 |
| Do We Need Anisotropic Graph Neural Networks? | Apr 3, 2021 | Graph Neural Network | CodeCode Available | 3 |
| chemtrain-deploy: A parallel and scalable framework for machine learning potentials in million-atom MD simulations | Jun 4, 2025 | Graph Neural Network | CodeCode Available | 2 |
| Relational Graph Transformer | May 16, 2025 | Graph Neural Network | CodeCode Available | 2 |
| LightGNN: Simple Graph Neural Network for Recommendation | Jan 6, 2025 | Computational EfficiencyGraph Neural Network | CodeCode Available | 2 |
| Graph Neural Network Surrogates to leverage Mechanistic Expert Knowledge towards Reliable and Immediate Pandemic Response | Nov 10, 2024 | Decision MakingGraph Neural Network | CodeCode Available | 2 |
| Double Difference Earthquake Location with Graph Neural Networks | Oct 25, 2024 | Graph Neural Network | CodeCode Available | 2 |
| Local Off-Grid Weather Forecasting with Multi-Modal Earth Observation Data | Oct 16, 2024 | Decision MakingEarth Observation | CodeCode Available | 2 |
| Data-Driven Parametrization of Molecular Mechanics Force Fields for Expansive Chemical Space Coverage | Aug 23, 2024 | Computational EfficiencyDrug Discovery | CodeCode Available | 2 |
| MEEG and AT-DGNN: Improving EEG Emotion Recognition with Music Introducing and Graph-based Learning | Jul 8, 2024 | Arousal EstimationEEG | CodeCode Available | 2 |
| MHNet: Multi-view High-order Network for Diagnosing Neurodevelopmental Disorders Using Resting-state fMRI | Jul 3, 2024 | Functional ConnectivityGraph Neural Network | CodeCode Available | 2 |
| UDC: A Unified Neural Divide-and-Conquer Framework for Large-Scale Combinatorial Optimization Problems | Jun 29, 2024 | Combinatorial OptimizationGraph Neural Network | CodeCode Available | 2 |
| Joint Admission Control and Resource Allocation of Virtual Network Embedding via Hierarchical Deep Reinforcement Learning | Jun 25, 2024 | Combinatorial OptimizationGraph Neural Network | CodeCode Available | 2 |
| SelfGNN: Self-Supervised Graph Neural Networks for Sequential Recommendation | May 31, 2024 | Graph Neural NetworkRecommendation Systems | CodeCode Available | 2 |
| Dynamic GNNs for Precise Seizure Detection and Classification from EEG Data | May 8, 2024 | EEGGraph Classification | CodeCode Available | 2 |
| Gradformer: Graph Transformer with Exponential Decay | Apr 24, 2024 | Graph ClassificationGraph Neural Network | CodeCode Available | 2 |
| RiboDiffusion: Tertiary Structure-based RNA Inverse Folding with Generative Diffusion Models | Apr 17, 2024 | Graph Neural Network | CodeCode Available | 2 |
| DiffAssemble: A Unified Graph-Diffusion Model for 2D and 3D Reassembly | Feb 29, 2024 | DenoisingGraph Neural Network | CodeCode Available | 2 |
| ASGEA: Exploiting Logic Rules from Align-Subgraphs for Entity Alignment | Feb 16, 2024 | Entity AlignmentGraph Neural Network | CodeCode Available | 2 |
| ChemReasoner: Heuristic Search over a Large Language Model's Knowledge Space using Quantum-Chemical Feedback | Feb 15, 2024 | Computational chemistryGraph Neural Network | CodeCode Available | 2 |
| FourierGNN: Rethinking Multivariate Time Series Forecasting from a Pure Graph Perspective | Nov 10, 2023 | Graph Neural NetworkMultivariate Time Series Forecasting | CodeCode Available | 2 |
| MHG-GNN: Combination of Molecular Hypergraph Grammar with Graph Neural Network | Sep 28, 2023 | Graph Neural NetworkPrediction | CodeCode Available | 2 |
| Harnessing Explanations: LLM-to-LM Interpreter for Enhanced Text-Attributed Graph Representation Learning | May 31, 2023 | Decision MakingGeneral Knowledge | CodeCode Available | 2 |
| gRNAde: Geometric Deep Learning for 3D RNA inverse design | May 24, 2023 | 3D geometryDeep Learning | CodeCode Available | 2 |
| Graph Neural Network-based surrogate model for granular flows | May 9, 2023 | Graph Neural Network | CodeCode Available | 2 |
| Graph-based Topology Reasoning for Driving Scenes | Apr 11, 2023 | 3D Lane DetectionAutonomous Driving | CodeCode Available | 2 |
| GlueStick: Robust Image Matching by Sticking Points and Lines Together | Apr 4, 2023 | Graph Neural NetworkPose Estimation | CodeCode Available | 2 |
| CHGNet: Pretrained universal neural network potential for charge-informed atomistic modeling | Feb 28, 2023 | Atomic ForcesGraph Neural Network | CodeCode Available | 2 |
| LightGCL: Simple Yet Effective Graph Contrastive Learning for Recommendation | Feb 16, 2023 | Contrastive LearningData Augmentation | CodeCode Available | 2 |
| Reducing SO(3) Convolutions to SO(2) for Efficient Equivariant GNNs | Feb 7, 2023 | Graph Neural Network | CodeCode Available | 2 |
| PDFormer: Propagation Delay-Aware Dynamic Long-Range Transformer for Traffic Flow Prediction | Jan 19, 2023 | Computational EfficiencyGraph Neural Network | CodeCode Available | 2 |
| Heterogeneous Multi-Robot Reinforcement Learning | Jan 17, 2023 | Graph Neural NetworkMulti-agent Reinforcement Learning | CodeCode Available | 2 |
| GNS: A generalizable Graph Neural Network-based simulator for particulate and fluid modeling | Nov 18, 2022 | Graph Neural Network | CodeCode Available | 2 |
| Towards Relation-centered Pooling and Convolution for Heterogeneous Graph Learning Networks | Oct 31, 2022 | Graph LearningGraph Neural Network | CodeCode Available | 2 |
| Pareto Actor-Critic for Equilibrium Selection in Multi-Agent Reinforcement Learning | Sep 28, 2022 | Graph Neural NetworkMulti-agent Reinforcement Learning | CodeCode Available | 2 |
| A Generalist Neural Algorithmic Learner | Sep 22, 2022 | Graph Neural NetworkLearning to Execute | CodeCode Available | 2 |
| Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs | Jun 23, 2022 | Graph AttentionGraph Neural Network | CodeCode Available | 2 |
| Pre-training Enhanced Spatial-temporal Graph Neural Network for Multivariate Time Series Forecasting | Jun 18, 2022 | Graph Neural NetworkMultivariate Time Series Forecasting | CodeCode Available | 2 |
| Decoupled Dynamic Spatial-Temporal Graph Neural Network for Traffic Forecasting | Jun 18, 2022 | Graph LearningGraph Neural Network | CodeCode Available | 2 |
| Rethinking Graph Neural Networks for Anomaly Detection | May 31, 2022 | Anomaly DetectionGraph Anomaly Detection | CodeCode Available | 2 |
| Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets | May 15, 2022 | Drug DesignGraph Neural Network | CodeCode Available | 2 |
| Generating 3D Molecules for Target Protein Binding | Apr 19, 2022 | Drug DiscoveryGraph Neural Network | CodeCode Available | 2 |