Fast Graph Representation Learning with PyTorch Geometric
Not on the map. Why?
Cited by 22 in Diffusion models, but placed by its own abstract, which didn’t fit.
Abstract (arXiv)
We introduce PyTorch Geometric, a library for deep learning on irregularly structured input data such as graphs, point clouds and manifolds, built upon PyTorch. In addition to general graph data structures and processing methods, it contains a variety of recently published methods from the domains of relational learning and 3D data processing. PyTorch Geometric achieves high data throughput by leveraging sparse GPU acceleration, by providing dedicated CUDA kernels and by introducing efficient mini-batch handling for input examples of different size. In this work, we present the library in detail and perform a comprehensive comparative study of the implemented methods in homogeneous evaluation scenarios.
Key facts. Cited by 2,414 papers in the map (data through 7 Oct 2026). First posted on arXiv 6 Mar 2019.
Builds on
No reference list yet.
Built on by
Citing papers per year: 2021: 332; 2022: 468; 2023: 468; 2024: 519; 2025: 398; 2026: 229.
2,414 papers.
Sort:
By area:
- 2021How Attentive are Graph Attention Networks?cited by 818
- 2022Recipe for a General, Powerful, Scalable Graph Transformercited by 702
- 2021E(3)-Equivariant Graph Neural Networks for Data-Efficient and Accurate Interatomic Potentialscited by 701
- 2021OGB-LSC: A Large-Scale Challenge for Machine Learning on Graphscited by 328
- 2021Large Scale Learning on Non-Homophilous Graphs: New Benchmarks and Strong Simple Methodscited by 309
- 2021Graph Neural Network-Based Anomaly Detection in Multivariate Time Seriescited by 300
- 2023Geometry-Informed Neural Operator for Large-Scale 3D PDEscited by 293
- 2023Exploring the Potential of Large Language Models (LLMs) in Learning on Graphscited by 271
- 2021Combinatorial optimization and reasoning with graph neural networkscited by 267
- 2021GRAND: Graph Neural Diffusioncited by 258
- 2022Long Range Graph Benchmarkcited by 258
- 2022Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphscited by 258
38 more
- 2021Geometric and Physical Quantities Improve E(3) Equivariant Message Passingcited by 225
- 2021Weisfeiler and Lehman Go Topological: Message Passing Simplicial Networkscited by 219
- 2021Weisfeiler and Lehman Go Cellular: CW Networkscited by 218
- 2023SE(3) diffusion model with application to protein backbone generationcited by 214
- 2022Multi-Task Learning as a Bargaining Gamecited by 209
- 2021CodeNet: A Large-Scale AI for Code Dataset for Learning a Diversity of Coding Taskscited by 199
- 2021BernNet: Learning Arbitrary Graph Spectral Filters via Bernstein Approximationcited by 195
- 2021Self-Supervised Learning of Graph Neural Networks: A Unified Reviewcited by 184
- 2022Graph neural networks for materials science and chemistrycited by 181
- 2022TorchMD-NET: Equivariant Transformers for Neural Network based Molecular Potentialscited by 179
- 2022Sign and Basis Invariant Networks for Spectral Graph Representation Learningcited by 176
- 2022Relative representations enable zero-shot latent space communicationcited by 175
- 2024Retrieval-Augmented Generation with Graphs (GraphRAG)cited by 170
- 2021Training Graph Neural Networks with 1000 Layerscited by 169
- 2022Revisiting Heterophily For Graph Neural Networkscited by 169
- 2021SceneGraphFusion: Incremental 3D Scene Graph Prediction from RGB-D Sequencescited by 159
- 2021Equivariant Subgraph Aggregation Networkscited by 154
- 2021From Stars to Subgraphs: Uplifting Any GNN with Local Structure Awarenesscited by 154
- 2023Towards Better Dynamic Graph Learning: New Architecture and Unified Librarycited by 154
- 2021Graph Condensation for Graph Neural Networkscited by 150
- 2021GraphiT: Encoding Graph Structure in Transformerscited by 146
- 20213D Infomax improves GNNs for Molecular Property Predictioncited by 146
- 2022Learning Causally Invariant Representations for Out-of-Distribution Generalization on Graphscited by 144
- 2022GOOD: A Graph Out-of-Distribution Benchmarkcited by 140
- 2021Node Feature Extraction by Self-Supervised Multi-scale Neighborhood Predictioncited by 137
- 2021Nested Graph Neural Networkscited by 136
- 2023Harnessing Explanations: LLM-to-LM Interpreter for Enhanced Text-Attributed Graph Representation Learningcited by 132
- 2022DIMES: A Differentiable Meta Solver for Combinatorial Optimization Problemscited by 127
- 2021You are AllSet: A Multiset Function Framework for Hypergraph Neural Networkscited by 124
- 2021PyTorch Geometric Temporal: Spatiotemporal Signal Processing with Neural Machine Learning Modelscited by 118
- 2022AEGNN: Asynchronous Event-based Graph Neural Networkscited by 118
- 2021DropGNN: Random Dropouts Increase the Expressiveness of Graph Neural Networkscited by 117
- 2021An Empirical Study of Graph Contrastive Learningcited by 113
- 2022Understanding and Extending Subgraph GNNs by Rethinking Their Symmetriescited by 112
- 2021Combinatorial Optimization with Physics-Inspired Graph Neural Networkscited by 107
- 2021Learning Graph Structures with Transformer for Multivariate Time Series Anomaly Detection in IoTcited by 104
- 2022FoSR: First-order spectral rewiring for addressing oversquashing in GNNscited by 104
- 2022How to Find Your Friendly Neighborhood: Graph Attention Design with Self-Supervisioncited by 102
50 most cited of 2,414 All 2,414 (JSON)
- 2026Constructing Structured Decision Sources for Consensus-Based Pseudo-Label Learning8 Oct 2026
- 2026Automated Detection of Match Phases in Football from Spatio-Temporal Tracking Data Using Graph Neural Networks8 Oct 2026
- 2026Structure alone supports efficient visual computation in the Drosophila visual system7 Oct 2026
- 2026Effective Resistance and Graph Neural Network Reliability in Tissue-Specific Interactomes1 Oct 2026
- 2026NodeGround: A Node Classification Benchmark in the Graph Foundation Model Era30 Sep 2026
- 2026Dagger: Decoupling-based Model Stealing Attack against Graph Neural Networks29 Sep 2026
- 2026Task-Relevant Null-Space Residuals for Non-Injective Neural Mappings29 Sep 2026
- 2026Attention Graphons: A Graph Limit Perspective on Graph Transformers28 Sep 2026
- 2026Edge-Level Automorphism in GNNs: A Quantitative Framework and Effective Designs For Link Prediction28 Sep 2026
- 2026Scalable GNN-based Knowledge Graph Representation Learning with Efficient Message Passing28 Sep 2026
- 2026The Selection Rule Decides the Winner: A Pre-Registered Audit of Open-Set Graph Anomaly Detection27 Sep 2026
- 2026Efficient Dynamic Algorithms for Graph Neural Networks with Non-Linear Propagation26 Sep 2026
38 more
- 2026Learning the Graph and the Embedding Together: Classifier-Independent Rewiring for Heterophilic Node Classification26 Sep 2026
- 2026Beyond Static Graph World Models: Learning Stochastic Latent Dynamics over Evolving Topologies23 Sep 2026
- 2026GraphToolbox: A Configurable Python Framework for Graph Neural Network Forecasting21 Sep 2026
- 2026Temporal Generalization and Explanation Stability of Control Flow Graph Neural Networks for Malware Detection21 Sep 2026
- 2026Not All Nodes Are Created Equal: Homophily-Aware Stratification for Stable GNN Evaluation16 Sep 2026
- 2026Comprehensive reconstruction of collider events with hypergraph representation learning and graph-conditioned diffusion16 Sep 2026
- 2026Degraded but Not Entirely Ineffective: PE-Based Deformable Graph Neural Networks12 Sep 2026
- 2026Reification as a Transferable Vocabulary: Zero-Shot Link Prediction with Vanilla GNNs10 Sep 2026
- 2026Graph neural networks and the energetic cavity method for combinatorial optimization7 Sep 2026
- 2026GraphNOSE: A Graph Transformer in Olfaction4 Sep 2026
- 2026A Robust Watermark-based Fingerprint Framework for GNNs Ownership Verification4 Sep 2026
- 2026GNN-Guided Graph Coarsening and Adaptive QUBO Penalties for the Capacitated Vehicle Routing Problem with Time Windows on a Quantum Annealer4 Sep 2026
- 2026Language-encoded network topology enables large language models to reason about complex networks3 Sep 2026
- 2026ToxLens: A Reproducible Graph-Learning Framework for Leakage-Aware, Uncertainty-Calibrated Molecular Toxicity Prediction31 Aug 2026
- 2026Graph4BiLO: Graph Neural Network Approximation for Bilevel Mixed-Integer Linear Optimization31 Aug 2026
- 2026Scaling Graph Neural Networks for Friend Recommendation: Multi-Hash User Embeddings and Temporal Neighbor Sampling27 Aug 2026
- 2026FoldPipe: Bounded Remote Streaming of Native Molecular Shards with Asynchronous Prefetch27 Aug 2026
- 2026Rethinking Message Passing as Retrieval for Text-Attributed Graph Learning27 Aug 2026
- 2026Subgraph Filtering for Fair Graph Neural Networks26 Aug 2026
- 2026MetaSieve: Faster Relational Deep Learning through SQL-Based Metapath Selection26 Aug 2026
- 2026Generalized Graph Variational Autoencoders: Bounded Divergences Control Posterior Collapse25 Aug 2026
- 2026Two-level domain-decomposition AdaGrad method for scalable training of graph neural networks23 Aug 2026
- 2026Modeling Claim Dependency Structure for Patent Litigation Prediction with Graph Attention Networks22 Aug 2026
- 2026Against Political Polarization: A Unified Framework for Tracing Evolving Political Ideologies on Social Media18 Aug 2026
- 2026Graph Machine Learning: An Opportunity for Power Systems17 Aug 2026
- 2026Disentangling Homophily and Rarity: Explaining Failure in Graph Neural Networks14 Aug 2026
- 2026Reducing Symmetry Increase in Equivariant Neural Networks12 Aug 2026
- 2026GENCO - A Unified Neural Solver Embedded in a Development Framework for Steady-State Grid Analysis10 Aug 2026
- 2026Neural Message Passing on Structural Interaction Graphs for Fully-Inductive Graph Neural Networks9 Aug 2026
- 2026Can Graph Learning Learn Circuits?9 Aug 2026
- 2026Rethinking Learning-Based Influence Maximization: Simple Neural Surrogates and Native Discrete Search9 Aug 2026
- 2026LGNNIC: Acceleration of Large-Scale GNN Training using SmartNICs7 Aug 2026
- 2026Network Information Enhances Unreliable News Domain Detection3 Aug 2026
- 2026TELLER: Non-intrusive Cross-Layer Root-Cause Analysis for LLM Inference3 Aug 2026
- 2026How Benchmarks and Evaluation Protocols Shape Conclusions in Provenance-Based Intrusion Detection2 Aug 2026
- 2026Differentiable Lifting for Topological Neural Networks2 Aug 2026
- 2026Machine Learning-Enhanced Tabu Search for Tactical Wireless Network Design31 Jul 2026
- 2026Assessing the Generalization of Graph Neural Networks for Fault Location Across Increasing Distributed Energy Resource Penetration Levels31 Jul 2026
50 newest of 2,414 All 2,414 (JSON)
- 2023SE(3) diffusion model with application to protein backbone generationcited by 214
- 2023Efficient and Degree-Guided Graph Generation via Discrete Diffusion Modelingcited by 75
- 2023Navigating the Design Space of Equivariant Diffusion-Based Generative Models for De Novo 3D Molecule Generationcited by 50
- 2024Meta Flow Matching: Integrating Vector Fields on the Wasserstein Manifoldcited by 41
- 2023Geometry-Complete Diffusion for 3D Molecule Generation and Optimizationcited by 36
- 2023Sparse Training of Discrete Diffusion Models for Graph Generationcited by 26
- 2024Pard: Permutation-Invariant Autoregressive Diffusion for Graph Generationcited by 25
- 2023Score dynamics: scaling molecular dynamics with picoseconds timestep via conditional diffusion modelcited by 16
- 2025Joint Relational Database Generation via Graph-Conditional Diffusion Modelscited by 8
- 2024Efficient and Scalable Point Cloud Generation with Sparse Point-Voxel Diffusion Modelscited by 7
- 2024Graph Neural Reaction Diffusion Modelscited by 6
- 2025Learning Flexible Forward Trajectories for Masked Molecular Diffusioncited by 6
12 most cited of 22 All 22 (JSON)
- 2026Constraints Matrix Diffusion based Generative Neural Solver for Vehicle Routing Problems8 Mar 2026
- 2025NEAT: Neighborhood-Guided, Efficient, Autoregressive Set Transformer for 3D Molecular Generation5 Dec 2025
- 2025HyperDiff: Hypergraph Guided Diffusion Model for 3D Human Pose Estimation20 Aug 2025
- 2025Learning Flexible Forward Trajectories for Masked Molecular Diffusion22 May 2025
- 2025Joint Relational Database Generation via Graph-Conditional Diffusion Models22 May 2025
- 2024Diffusion priors for Bayesian 3D reconstruction from incomplete measurements19 Dec 2024
- 2024Stiefel Flow Matching for Moment-Constrained Structure Elucidation17 Dec 2024
- 2024Mask prior-guided denoising diffusion improves inverse protein folding10 Dec 2024
- 2024Meta Flow Matching: Integrating Vector Fields on the Wasserstein Manifold26 Aug 2024
- 2024IFH: a Diffusion Framework for Flexible Design of Graph Generative Models23 Aug 2024
- 2024Efficient and Scalable Point Cloud Generation with Sparse Point-Voxel Diffusion Models12 Aug 2024
- 2024Chip Placement with Diffusion Models17 Jul 2024
12 newest of 22 All 22 (JSON)
- 2024Simple Is Effective: The Roles of Graphs and Large Language Models in Knowledge-Graph-Based Retrieval-Augmented Generationcited by 78
- 2024Demystifying Chains, Trees, and Graphs of Thoughtscited by 63
- 2024KAM-CoT: Knowledge Augmented Multimodal Chain-of-Thoughts Reasoningcited by 60
- 2022Weisfeiler and Leman Go Relationalcited by 28
- 2024GL-Fusion: Rethinking the Combination of Graph Neural Network and Large Language modelcited by 8
- 2025Learning Efficient and Generalizable Graph Retriever for Knowledge-Graph Question Answeringcited by 5
- 2026TSRouter: Dynamic Modality-Model Selection for Time Series Reasoningcited by 2
- 2023Knowledge Graphs are not Created Equal: Exploring the Properties and Structure of Real KGscited by 1
- 2025MicroVQA++: High-Quality Microscopy Reasoning Dataset with Weakly Supervised Graphs for Multimodal Large Language Modelcited by 1
- 2026MINAR: Mechanistic Interpretability for Neural Algorithmic Reasoningcited by 0
- 2026MemReward: Graph-Based Experience Memory for LLM Reward Prediction with Limited Labelscited by 0
- 2026LogosKG: Hardware-Optimized Scalable and Interpretable Knowledge Graph Retrievalcited by 0
12 most cited of 14 All 14 (JSON)
- 2026Language-encoded network topology enables large language models to reason about complex networks3 Sep 2026
- 2026Rethinking Message Passing as Retrieval for Text-Attributed Graph Learning27 Aug 2026
- 2026TSRouter: Dynamic Modality-Model Selection for Time Series Reasoning9 Jul 2026
- 2026LogosKG: Hardware-Optimized Scalable and Interpretable Knowledge Graph Retrieval20 Apr 2026
- 2026MemReward: Graph-Based Experience Memory for LLM Reward Prediction with Limited Labels13 Mar 2026
- 2026MINAR: Mechanistic Interpretability for Neural Algorithmic Reasoning24 Feb 2026
- 2025MicroVQA++: High-Quality Microscopy Reasoning Dataset with Weakly Supervised Graphs for Multimodal Large Language Model14 Nov 2025
- 2025Learning Efficient and Generalizable Graph Retriever for Knowledge-Graph Question Answering11 Jun 2025
- 2024GL-Fusion: Rethinking the Combination of Graph Neural Network and Large Language model8 Dec 2024
- 2024Simple Is Effective: The Roles of Graphs and Large Language Models in Knowledge-Graph-Based Retrieval-Augmented Generation28 Oct 2024
- 2024Demystifying Chains, Trees, and Graphs of Thoughts25 Jan 2024
- 2024KAM-CoT: Knowledge Augmented Multimodal Chain-of-Thoughts Reasoning23 Jan 2024
12 newest of 14 All 14 (JSON)
- 2024AutoML-Agent: A Multi-Agent LLM Framework for Full-Pipeline AutoMLcited by 84
- 2024GraphAgent: Agentic Graph Language Assistantcited by 8
- 2025xChemAgents: Agentic AI for Explainable Quantum Chemistrycited by 7
- 2025AegisMCP: Online Graph Intrusion Detection for Tool-Augmented LLMs on Edge Devicescited by 1
- 2026Content-Aware Attack Detection in LLM Agent Tool-Call Traffic: An Empirical Study of Features, Architectures, and Evaluation Protocolscited by 1
- 2026Content-Aware Attack Detection in LLM Agent Tool-Call Traffic: An Empirical Study of Features, Architectures, and Evaluation Protocols11 May 2026
- 2025AegisMCP: Online Graph Intrusion Detection for Tool-Augmented LLMs on Edge Devices22 Oct 2025
- 2025xChemAgents: Agentic AI for Explainable Quantum Chemistry26 May 2025
- 2024GraphAgent: Agentic Graph Language Assistant22 Dec 2024
- 2024AutoML-Agent: A Multi-Agent LLM Framework for Full-Pipeline AutoML3 Oct 2024
- 2022Certified Graph Unlearningcited by 46
- 2024Machine Unlearning: A Comprehensive Surveycited by 33
- 2022Unlearning Graph Classifiers with Limited Data Resourcescited by 31
- 2023Efficiently Forgetting What You Have Learned in Graph Representation Learning via Projectioncited by 20
- 2025Towards Effective, Stealthy, and Persistent Backdoor Attacks Targeting Graph Foundation Modelscited by 3
- 2025Towards Effective, Stealthy, and Persistent Backdoor Attacks Targeting Graph Foundation Models22 Nov 2025
- 2024Machine Unlearning: A Comprehensive Survey13 May 2024
- 2023Efficiently Forgetting What You Have Learned in Graph Representation Learning via Projection17 Feb 2023
- 2022Unlearning Graph Classifiers with Limited Data Resources6 Nov 2022
- 2022Certified Graph Unlearning18 Jun 2022
- 2024Efficient Tuning and Inference for Large Language Models on Textual Graphscited by 54
- 2023Exploiting On-chip Heterogeneity of Versal Architecture for GNN Inference Accelerationcited by 2
- 2025DCI: A Coordinated Allocation and Filling Workload-Aware Dual-Cache Allocation GNN Inference Acceleration Systemcited by 0
- 2026Task-Relevant Null-Space Residuals for Non-Injective Neural Mappingscited by 0
- 2026Task-Relevant Null-Space Residuals for Non-Injective Neural Mappings29 Sep 2026
- 2025DCI: A Coordinated Allocation and Filling Workload-Aware Dual-Cache Allocation GNN Inference Acceleration System3 Mar 2025
- 2024Efficient Tuning and Inference for Large Language Models on Textual Graphs28 Jan 2024
- 2023Exploiting On-chip Heterogeneity of Versal Architecture for GNN Inference Acceleration4 Aug 2023
- 2024Graph Sparsification via Mixture of Graphscited by 17
- 2023Mixture-of-Experts for Open Set Domain Adaptation: A Dual-Space Detection Approachcited by 2
- 2025Unifying and Enhancing Graph Transformers via a Hierarchical Mask Frameworkcited by 2
- 2025GNN-MoE: Context-Aware Patch Routing using GNNs for Parameter-Efficient Domain Generalizationcited by 0
- 2025GNN-MoE: Context-Aware Patch Routing using GNNs for Parameter-Efficient Domain Generalization6 Nov 2025
- 2025Unifying and Enhancing Graph Transformers via a Hierarchical Mask Framework21 Oct 2025
- 2024Graph Sparsification via Mixture of Graphs23 May 2024
- 2023Mixture-of-Experts for Open Set Domain Adaptation: A Dual-Space Detection Approach1 Nov 2023
- 2023Rethinking and Simplifying Bootstrapped Graph Latentscited by 10
- 2023Rethinking and Simplifying Bootstrapped Graph Latents5 Dec 2023
- 2021How Attentive are Graph Attention Networks?cited by 818
- 2022Recipe for a General, Powerful, Scalable Graph Transformercited by 702
- 2021E(3)-Equivariant Graph Neural Networks for Data-Efficient and Accurate Interatomic Potentialscited by 701
- 2021OGB-LSC: A Large-Scale Challenge for Machine Learning on Graphscited by 328
- 2021Large Scale Learning on Non-Homophilous Graphs: New Benchmarks and Strong Simple Methodscited by 309
- 2021Graph Neural Network-Based Anomaly Detection in Multivariate Time Seriescited by 300
- 2023Geometry-Informed Neural Operator for Large-Scale 3D PDEscited by 293
- 2023Exploring the Potential of Large Language Models (LLMs) in Learning on Graphscited by 271
- 2021Combinatorial optimization and reasoning with graph neural networkscited by 267
- 2021GRAND: Graph Neural Diffusioncited by 258
- 2022Long Range Graph Benchmarkcited by 258
- 2022Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphscited by 258
12 most cited of 2,348 All 2,348 (JSON)
- 2026Constructing Structured Decision Sources for Consensus-Based Pseudo-Label Learning8 Oct 2026
- 2026Automated Detection of Match Phases in Football from Spatio-Temporal Tracking Data Using Graph Neural Networks8 Oct 2026
- 2026Structure alone supports efficient visual computation in the Drosophila visual system7 Oct 2026
- 2026Effective Resistance and Graph Neural Network Reliability in Tissue-Specific Interactomes1 Oct 2026
- 2026NodeGround: A Node Classification Benchmark in the Graph Foundation Model Era30 Sep 2026
- 2026Dagger: Decoupling-based Model Stealing Attack against Graph Neural Networks29 Sep 2026
- 2026Attention Graphons: A Graph Limit Perspective on Graph Transformers28 Sep 2026
- 2026Edge-Level Automorphism in GNNs: A Quantitative Framework and Effective Designs For Link Prediction28 Sep 2026
- 2026Scalable GNN-based Knowledge Graph Representation Learning with Efficient Message Passing28 Sep 2026
- 2026The Selection Rule Decides the Winner: A Pre-Registered Audit of Open-Set Graph Anomaly Detection27 Sep 2026
- 2026Efficient Dynamic Algorithms for Graph Neural Networks with Non-Linear Propagation26 Sep 2026
- 2026Learning the Graph and the Embedding Together: Classifier-Independent Rewiring for Heterophilic Node Classification26 Sep 2026
12 newest of 2,348 All 2,348 (JSON)