Reconstruction for Powerful Graph Representations
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Abstract (arXiv)
Graph neural networks (GNNs) have limited expressive power, failing to represent many graph classes correctly. While more expressive graph representation learning (GRL) alternatives can distinguish some of these classes, they are significantly harder to implement, may not scale well, and have not been shown to outperform well-tuned GNNs in real-world tasks. Thus, devising simple, scalable, and expressive GRL architectures that also achieve real-world improvements remains an open challenge. In this work, we show the extent to which graph reconstruction -- reconstructing a graph from its subgraphs -- can mitigate the theoretical and practical problems currently faced by GRL architectures. First, we leverage graph reconstruction to build two new classes of expressive graph representations. Secondly, we show how graph reconstruction boosts the expressive power of any GNN architecture while being a (provably) powerful inductive bias for invariances to vertex removals. Empirically, we show how reconstruction can boost GNN's expressive power -- while maintaining its invariance to permutations of the vertices -- by solving seven graph property tasks not solvable by the original GNN. Further, we demonstrate how it boosts state-of-the-art GNN's performance across nine real-world benchmark datasets.
Key facts. Cited by 65 papers in the map (data through 7 Oct 2026). Builds on 68 of its 111 references that are in the map. First posted on arXiv 1 Oct 2021.
Builds on
68 of 111 references.
References · 68
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- 2017Graph Attention Networkscited by 8,854
- 2017Inductive Representation Learning on Large Graphscited by 6,284
- 2018How Powerful are Graph Neural Networks?cited by 4,355
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- 2017MoleculeNet: A Benchmark for Molecular Machine Learningcited by 1,037
- 2018Weisfeiler and Leman Go Neural: Higher-order Graph Neural Networkscited by 878
- 2018Representation Learning on Graphs with Jumping Knowledge Networkscited by 875
- 2018Hierarchical Graph Representation Learning with Differentiable Poolingcited by 786
- 2015Convolutional Networks on Graphs for Learning Molecular Fingerprintscited by 751
- 2020TUDataset: A collection of benchmark datasets for learning with graphscited by 718
- 2019DropEdge: Towards Deep Graph Convolutional Networks on Node Classificationcited by 679
- 2020Benchmarking Graph Neural Networkscited by 672
- 2020Directional Message Passing for Molecular Graphscited by 556
- 2019Graph U-Netscited by 489
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- 2019Hyperbolic Graph Convolutional Neural Networkscited by 400
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- 2016Learning Convolutional Neural Networks for Graphscited by 314
- 2020Improving Graph Neural Network Expressivity via Subgraph Isomorphism Countingcited by 312
- 2017Dynamic Edge-Conditioned Filters in Convolutional Neural Networks on Graphscited by 307
- 2021On Explainability of Graph Neural Networks via Subgraph Explorationscited by 280
- 2019Cormorant: Covariant Molecular Neural Networkscited by 262
- 2015Order Matters: Sequence to sequence for setscited by 236
- 2020Can Graph Neural Networks Count Substructures?cited by 235
- 2021Weisfeiler and Lehman Go Topological: Message Passing Simplicial Networkscited by 219
- 2020Generalization and Representational Limits of Graph Neural Networkscited by 217
- 2020Graph Random Neural Network for Semi-Supervised Learning on Graphscited by 213
- 2019Position-aware Graph Neural Networkscited by 203
- 2021Identity-aware Graph Neural Networkscited by 197
- 2020The Surprising Power of Graph Neural Networks with Random Node Initializationcited by 190
- 2020Random Features Strengthen Graph Neural Networkscited by 184
- 2019Universal Invariant and Equivariant Graph Neural Networkscited by 182
- 2019On the equivalence between graph isomorphism testing and function approximation with GNNscited by 172
- 2020Machine Learning on Graphs: A Model and Comprehensive Taxonomycited by 156
- 2019On the Universality of Invariant Networkscited by 151
- 2019Relational Pooling for Graph Representationscited by 150
- 2020Directional Graph Networkscited by 132
- 2018Towards Sparse Hierarchical Graph Classifierscited by 100
- 2018Janossy Pooling: Learning Deep Permutation-Invariant Functions for Variable-Size Inputscited by 96
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50 most cited of 68 All 68 (JSON)
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Citing papers per year: 2021: 4; 2022: 12; 2023: 18; 2024: 17; 2025: 12; 2026: 2.
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- 2025Heat Kernel Goes Topological16 Jul 2025
- 2025Logical Expressiveness of Graph Neural Networks with Hierarchical Node Individualization16 Jun 2025
- 2025Homomorphism Expressivity of Spectral Invariant Graph Neural Networks1 Mar 2025
- 2025Graph Self-Supervised Learning with Learnable Structural and Positional Encodings22 Feb 2025
- 2025Generalization Performance of Hypergraph Neural Networks22 Jan 2025
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- 2024Simplifying complex machine learning by linearly separable network embedding spaces2 Oct 2024
- 2024Towards Dynamic Graph Neural Networks with Provably High-Order Expressive Power2 Oct 2024
- 2024How Hard Is It for Message-Passing GNNs to Simulate One Weisfeiler-Lehman Color-Refinement Step?2 Oct 2024
- 2024Foundations and Frontiers of Graph Learning Theory3 Jul 2024
- 2024Improving the Expressiveness of K-hop Message-Passing GNNs by Injecting Contextualized Substructure Information27 Jun 2024
- 2024Inference of Sequential Patterns for Neural Message Passing in Temporal Graphs24 Jun 2024
- 2024Demystifying Higher-Order Graph Neural Networks18 Jun 2024
- 2024Scalable Expressiveness through Preprocessed Graph Perturbations17 Jun 2024
- 2024On the Expressibility of the Reconstructional Color Refinement13 Jun 2024
- 2024A Flexible, Equivariant Framework for Subgraph GNNs via Graph Products and Graph Coarsening13 Jun 2024
- 2024On the Expressive Power of Spectral Invariant Graph Neural Networks6 Jun 2024
- 2024GRANOLA: Adaptive Normalization for Graph Neural Networks20 Apr 2024
- 2024Subgraphormer: Unifying Subgraph GNNs and Graph Transformers via Graph Products13 Feb 2024
- 2024Weisfeiler-Leman at the margin: When more expressivity matters12 Feb 2024
- 2024Future Directions in the Theory of Graph Machine Learning3 Feb 2024
- 2024Beyond Weisfeiler-Lehman: A Quantitative Framework for GNN Expressiveness16 Jan 2024
- 2023Graph Transformers for Large Graphs18 Dec 2023
- 2023Permutation-Invariant Graph Partitioning:How Graph Neural Networks Capture Structural Interactions?14 Dec 2023
- 2023Efficient Subgraph GNNs by Learning Effective Selection Policies30 Oct 2023
- 2023Distance-Restricted Folklore Weisfeiler-Leman GNNs with Provable Cycle Counting Power10 Sep 2023
- 2023The Expressive Power of Graph Neural Networks: A Survey16 Aug 2023
- 2023Probabilistic Invariant Learning with Randomized Linear Classifiers8 Aug 2023
- 2023Path Neural Networks: Expressive and Accurate Graph Neural Networks9 Jun 2023
- 2023Extending the Design Space of Graph Neural Networks by Rethinking Folklore Weisfeiler-Lehman5 Jun 2023
- 2023What Do GNNs Actually Learn? Towards Understanding their Representations21 Apr 2023
- 2023An Empirical Study of Realized GNN Expressiveness16 Apr 2023
- 2023Combining Stochastic Explainers and Subgraph Neural Networks can Increase Expressivity and Interpretability14 Apr 2023
- 2023An Efficient Subgraph GNN with Provable Substructure Counting Power19 Mar 2023
- 2023NESS: Node Embeddings from Static SubGraphs15 Mar 2023
- 2023Graph Positional Encoding via Random Feature Propagation6 Mar 2023
- 2023Equivariant Polynomials for Graph Neural Networks22 Feb 2023
- 2023A Complete Expressiveness Hierarchy for Subgraph GNNs via Subgraph Weisfeiler-Lehman Tests14 Feb 2023
- 2023WL meet VC26 Jan 2023
- 2023Rethinking the Expressive Power of GNNs via Graph Biconnectivity23 Jan 2023
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50 newest of 65 All 65 (JSON)
- 2022Sign and Basis Invariant Networks for Spectral Graph Representation Learningcited by 176
- 2021Equivariant Subgraph Aggregation Networkscited by 154
- 2021From Stars to Subgraphs: Uplifting Any GNN with Local Structure Awarenesscited by 154
- 2021Weisfeiler and Leman go Machine Learning: The Story so farcited by 121
- 2023Rethinking the Expressive Power of GNNs via Graph Biconnectivitycited by 119
- 2022Understanding and Extending Subgraph GNNs by Rethinking Their Symmetriescited by 112
- 2022Universal Prompt Tuning for Graph Neural Networkscited by 100
- 2022How Powerful are K-hop Message Passing Graph Neural Networkscited by 90
- 2023A Complete Expressiveness Hierarchy for Subgraph GNNs via Subgraph Weisfeiler-Lehman Testscited by 64
- 2022Ordered Subgraph Aggregation Networkscited by 57
- 2022Boosting the Cycle Counting Power of Graph Neural Networks with I2-GNNscited by 55
- 2022A Theoretical Comparison of Graph Neural Network Extensionscited by 47
12 most cited of 65 All 65 (JSON)
- 2026Invariant-Stratified Propagation for Expressive Graph Neural Networks2 Mar 2026
- 2026Property-Driven Evaluation of GNN Expressiveness at Scale: Datasets, Framework, and Study9 Feb 2026
- 2025GoMS: Graph of Molecule Substructure Network for Molecule Property Prediction13 Dec 2025
- 2025Fundamental Limits of Crystalline Equivariant Graph Neural Networks: A Circuit Complexity Perspective7 Oct 2025
- 2025On The Expressive Power of GNN Derivatives2 Oct 2025
- 2025Flock: A Knowledge Graph Foundation Model via Learning on Random Walks1 Oct 2025
- 2025Exact Subgraph Isomorphism Network with Mixed L0,2 Norm Constraint for Predictive Graph Mining25 Sep 2025
- 2025Heat Kernel Goes Topological16 Jul 2025
- 2025Logical Expressiveness of Graph Neural Networks with Hierarchical Node Individualization16 Jun 2025
- 2025Homomorphism Expressivity of Spectral Invariant Graph Neural Networks1 Mar 2025
- 2025Graph Self-Supervised Learning with Learnable Structural and Positional Encodings22 Feb 2025
- 2025Generalization Performance of Hypergraph Neural Networks22 Jan 2025
12 newest of 65 All 65 (JSON)