Directional Graph Networks
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Abstract (arXiv)
The lack of anisotropic kernels in graph neural networks (GNNs) strongly limits their expressiveness, contributing to well-known issues such as over-smoothing. To overcome this limitation, we propose the first globally consistent anisotropic kernels for GNNs, allowing for graph convolutions that are defined according to topologicaly-derived directional flows. First, by defining a vector field in the graph, we develop a method of applying directional derivatives and smoothing by projecting node-specific messages into the field. Then, we propose the use of the Laplacian eigenvectors as such vector field. We show that the method generalizes CNNs on an n-dimensional grid and is provably more discriminative than standard GNNs regarding the Weisfeiler-Lehman 1-WL test. We evaluate our method on different standard benchmarks and see a relative error reduction of 8% on the CIFAR10 graph dataset and 11% to 32% on the molecular ZINC dataset, and a relative increase in precision of 1.6% on the MolPCBA dataset. An important outcome of this work is that it enables graph networks to embed directions in an unsupervised way, thus allowing a better representation of the anisotropic features in different physical or biological problems.
Key facts. Cited by 132 papers in the map (data through 7 Oct 2026). First posted on arXiv 6 Oct 2020.
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Citing papers per year: 2021: 27; 2022: 29; 2023: 30; 2024: 29; 2025: 13; 2026: 4.
132 papers.
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- 2021Geometric Deep Learning: Grids, Groups, Graphs, Geodesics, and Gaugescited by 1,131
- 2022Recipe for a General, Powerful, Scalable Graph Transformercited by 702
- 2022DiGress: Discrete Denoising diffusion for graph generationcited by 503
- 2021Rethinking Graph Transformers with Spectral Attentioncited by 468
- 2021Graph Neural Networks with Learnable Structural and Positional Representationscited by 326
- 2021Do Transformers Really Perform Bad for Graph Representation?cited by 318
- 2021Weisfeiler and Lehman Go Cellular: CW Networkscited by 218
- 2021D'ya like DAGs? A Survey on Structure Learning and Causal Discoverycited by 209
- 2022Sign and Basis Invariant Networks for Spectral Graph Representation Learningcited by 176
- 2023Exphormer: Sparse Transformers for Graphscited by 166
- 2021Equivariant Subgraph Aggregation Networkscited by 154
- 2021From Stars to Subgraphs: Uplifting Any GNN with Local Structure Awarenesscited by 154
38 more
- 2023Graph Inductive Biases in Transformers without Message Passingcited by 150
- 2021Nested Graph Neural Networkscited by 136
- 2022Graph-Coupled Oscillator Networkscited by 123
- 2021Weisfeiler and Leman go Machine Learning: The Story so farcited by 121
- 2021Global Self-Attention as a Replacement for Graph Convolutioncited by 113
- 2022Understanding and Extending Subgraph GNNs by Rethinking Their Symmetriescited by 112
- 2021Beltrami Flow and Neural Diffusion on Graphscited by 84
- 2023Attending to Graph Transformerscited by 81
- 2022GRPE: Relative Positional Encoding for Graph Transformercited by 67
- 2022A Survey on Graph Representation Learning Methodscited by 66
- 2021Reconstruction for Powerful Graph Representationscited by 65
- 2022Ordered Subgraph Aggregation Networkscited by 57
- 2022Boosting the Cycle Counting Power of Graph Neural Networks with I2-GNNscited by 55
- 2022Multimodal learning with graphscited by 54
- 2022Message passing all the way upcited by 47
- 2021Walking Out of the Weisfeiler Leman Hierarchy: Graph Learning Beyond Message Passingcited by 46
- 2023MUDiff: Unified Diffusion for Complete Molecule Generationcited by 41
- 2021Autobahn: Automorphism-based Graph Neural Netscited by 39
- 2022SpeqNets: Sparsity-aware Permutation-equivariant Graph Networkscited by 37
- 2023Towards Foundational Models for Molecular Learning on Large-Scale Multi-Task Datasetscited by 37
- 2024On the Scalability of GNNs for Molecular Graphscited by 36
- 2023Path Neural Networks: Expressive and Accurate Graph Neural Networkscited by 32
- 2022KPGT: Knowledge-Guided Pre-training of Graph Transformer for Molecular Property Predictioncited by 31
- 2023WL meet VCcited by 30
- 2023Graph Positional Encoding via Random Feature Propagationcited by 30
- 2022Interpretable Geometric Deep Learning via Learnable Randomness Injectioncited by 27
- 2021Directional Message Passing on Molecular Graphs via Synthetic Coordinatescited by 24
- 2021A New Perspective on the Effects of Spectrum in Graph Neural Networkscited by 24
- 2022High-Order Pooling for Graph Neural Networks with Tensor Decompositioncited by 24
- 2022Molecular Representation Learning via Heterogeneous Motif Graph Neural Networkscited by 23
- 2023Over-Squashing in Graph Neural Networks: A Comprehensive surveycited by 23
- 2023Uncovering Neural Scaling Laws in Molecular Representation Learningcited by 23
- 2023Exposition on over-squashing problem on GNNs: Current Methods, Benchmarks and Challengescited by 22
- 2023Laplacian Canonization: A Minimalist Approach to Sign and Basis Invariant Spectral Embeddingcited by 21
- 2023HoloNets: Spectral Convolutions do extend to Directed Graphscited by 20
- 2021Evaluating Deep Graph Neural Networkscited by 19
- 2022Geodesic Graph Neural Network for Efficient Graph Representation Learningcited by 19
- 2021Do We Need Anisotropic Graph Neural Networks?cited by 18
50 most cited of 132 All 132 (JSON)
- 2026Analytic-Walk Rotary Positional Encodings for Graphs26 Sep 2026
- 2026TopoFormer: Topology Meets Attention for Graph Learning30 Jul 2026
- 2026AGDN: Learning to Solve Traveling Salesman Problem with Anisotropic Graph Diffusion Network17 Jun 2026
- 2026GCCM: Enhancing Generative Graph Prediction via Contrastive Consistency Model7 May 2026
- 2025GoMS: Graph of Molecule Substructure Network for Molecule Property Prediction13 Dec 2025
- 20253D-GSRD: 3D Molecular Graph Auto-Encoder with Selective Re-mask Decoding19 Oct 2025
- 2025DARTS-GT: Differentiable Architecture Search for Graph Transformers with Quantifiable Instance-Specific Interpretability Analysis16 Oct 2025
- 2025TANGO: Graph Neural Dynamics via Learned Energy and Tangential Flows7 Aug 2025
- 2025Few-shot Learning on AMS Circuits and Its Application to Parasitic Capacitance Prediction9 Jul 2025
- 2025Generating Directed Graphs with Dual Attention and Asymmetric Encoding19 Jun 2025
- 2025GGBall: Graph Generative Model on Poincar'e Ball8 Jun 2025
- 2025Towards Efficient Few-shot Graph Neural Architecture Search via Partitioning Gradient Contribution2 Jun 2025
38 more
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- 2025Spatially Directional Dual-Attention GAT for Spatial Fluoride Health Risk Modeling13 Apr 2025
- 2024From Anchors to Answers: A Novel Node Tokenizer for Integrating Graph Structure into Large Language Models14 Oct 2024
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- 2024Flexible Diffusion Scopes with Parameterized Laplacian for Heterophilic Graph Learning15 Sep 2024
- 2024Current Symmetry Group Equivariant Convolution Frameworks for Representation Learning11 Sep 2024
- 2024What Are Good Positional Encodings for Directed Graphs?30 Jul 2024
- 2024GLAudio Listens to the Sound of the Graph19 Jul 2024
- 2024Foundations and Frontiers of Graph Learning Theory3 Jul 2024
- 2024Differential Encoding for Improved Representation Learning over Graphs3 Jul 2024
- 2024Graph in Graph Neural Network30 Jun 2024
- 2024A Scalable and Effective Alternative to Graph Transformers17 Jun 2024
- 2024What Can We Learn from State Space Models for Machine Learning on Graphs?9 Jun 2024
- 2024Graph External Attention Enhanced Transformer31 May 2024
- 2024Automatic Graph Topology-Aware Transformer30 May 2024
- 2024Spatio-Spectral Graph Neural Networks29 May 2024
- 2024Attending to Topological Spaces: The Cellular Transformer23 May 2024
- 2024Conditional Shift-Robust Conformal Prediction for Graph Neural Network20 May 2024
- 2024CKGConv: General Graph Convolution with Continuous Kernels21 Apr 2024
- 2024On the Scalability of GNNs for Molecular Graphs17 Apr 2024
- 2024RandAlign: A Parameter-Free Method for Regularizing Graph Convolutional Networks15 Apr 2024
- 2024On the Theoretical Expressive Power and the Design Space of Higher-Order Graph Transformers4 Apr 2024
- 2024Representation Learning on Heterophilic Graph with Directional Neighborhood Attention3 Mar 2024
- 2024Weisfeiler-Leman at the margin: When more expressivity matters12 Feb 2024
- 2024CoRe-GD: A Hierarchical Framework for Scalable Graph Visualization with GNNs9 Feb 2024
- 2024Triplet Interaction Improves Graph Transformers: Accurate Molecular Graph Learning with Triplet Graph Transformers7 Feb 2024
- 2024Graph Transformers without Positional Encodings31 Jan 2024
- 2024PF-GNN: Differentiable particle filtering based approximation of universal graph representations31 Jan 2024
- 2023Permutation-Invariant Graph Partitioning:How Graph Neural Networks Capture Structural Interactions?14 Dec 2023
- 2023DFGET: Displacement-Field Assisted Graph Energy Transmitter for Gland Instance Segmentation11 Dec 2023
- 2023Exposition on over-squashing problem on GNNs: Current Methods, Benchmarks and Challenges13 Nov 2023
- 2023Facilitating Graph Neural Networks with Random Walk on Simplicial Complexes30 Oct 2023
50 newest of 132 All 132 (JSON)
- 2022Automatic Relation-aware Graph Network Proliferationcited by 6
- 2022Automatic Relation-aware Graph Network Proliferation31 May 2022
- 2021Geometric Deep Learning: Grids, Groups, Graphs, Geodesics, and Gaugescited by 1,131
- 2022Recipe for a General, Powerful, Scalable Graph Transformercited by 702
- 2021Rethinking Graph Transformers with Spectral Attentioncited by 468
- 2021Graph Neural Networks with Learnable Structural and Positional Representationscited by 326
- 2021Do Transformers Really Perform Bad for Graph Representation?cited by 318
- 2021Weisfeiler and Lehman Go Cellular: CW Networkscited by 218
- 2021D'ya like DAGs? A Survey on Structure Learning and Causal Discoverycited by 209
- 2022Sign and Basis Invariant Networks for Spectral Graph Representation Learningcited by 176
- 2023Exphormer: Sparse Transformers for Graphscited by 166
- 2021Equivariant Subgraph Aggregation Networkscited by 154
- 2021From Stars to Subgraphs: Uplifting Any GNN with Local Structure Awarenesscited by 154
- 2023Graph Inductive Biases in Transformers without Message Passingcited by 150
12 most cited of 129 All 129 (JSON)
- 2026Analytic-Walk Rotary Positional Encodings for Graphs26 Sep 2026
- 2026TopoFormer: Topology Meets Attention for Graph Learning30 Jul 2026
- 2026AGDN: Learning to Solve Traveling Salesman Problem with Anisotropic Graph Diffusion Network17 Jun 2026
- 2025GoMS: Graph of Molecule Substructure Network for Molecule Property Prediction13 Dec 2025
- 20253D-GSRD: 3D Molecular Graph Auto-Encoder with Selective Re-mask Decoding19 Oct 2025
- 2025DARTS-GT: Differentiable Architecture Search for Graph Transformers with Quantifiable Instance-Specific Interpretability Analysis16 Oct 2025
- 2025TANGO: Graph Neural Dynamics via Learned Energy and Tangential Flows7 Aug 2025
- 2025Few-shot Learning on AMS Circuits and Its Application to Parasitic Capacitance Prediction9 Jul 2025
- 2025Generating Directed Graphs with Dual Attention and Asymmetric Encoding19 Jun 2025
- 2025GGBall: Graph Generative Model on Poincar'e Ball8 Jun 2025
- 2025Towards Efficient Few-shot Graph Neural Architecture Search via Partitioning Gradient Contribution2 Jun 2025
- 2025Learning Shared Representations from Unpaired Data23 May 2025
12 newest of 129 All 129 (JSON)