Optimization of Graph Neural Networks: Implicit Acceleration by Skip Connections and More Depth
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Abstract (arXiv)
Graph Neural Networks (GNNs) have been studied through the lens of expressive power and generalization. However, their optimization properties are less well understood. We take the first step towards analyzing GNN training by studying the gradient dynamics of GNNs. First, we analyze linearized GNNs and prove that despite the non-convexity of training, convergence to a global minimum at a linear rate is guaranteed under mild assumptions that we validate on real-world graphs. Second, we study what may affect the GNNs' training speed. Our results show that the training of GNNs is implicitly accelerated by skip connections, more depth, and/or a good label distribution. Empirical results confirm that our theoretical results for linearized GNNs align with the training behavior of nonlinear GNNs. Our results provide the first theoretical support for the success of GNNs with skip connections in terms of optimization, and suggest that deep GNNs with skip connections would be promising in practice.
Key facts. Cited by 55 papers in the map (data through 7 Oct 2026). Builds on 58 of its 72 references that are in the map. First posted on arXiv 10 May 2021.
Builds on
58 of 72 references.
References · 58
- 2016Semi-Supervised Classification with Graph Convolutional Networkscited by 11,282
- 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
- 2017Neural Message Passing for Quantum Chemistrycited by 3,460
- 2018Neural Tangent Kernel: Convergence and Generalization in Neural Networkscited by 2,597
- 2019Fast Graph Representation Learning with PyTorch Geometriccited by 2,414
- 2016Convolutional Neural Networks on Graphs with Fast Localized Spectral Filteringcited by 2,085
- 2019Simplifying Graph Convolutional Networkscited by 1,470
- 2018Representation Learning on Graphs with Jumping Knowledge Networkscited by 875
- 2020Simple and Deep Graph Convolutional Networkscited by 857
- 2018A Convergence Theory for Deep Learning via Over-Parameterizationcited by 784
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- 2015Convolutional Networks on Graphs for Learning Molecular Fingerprintscited by 751
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- 2019Wide Neural Networks of Any Depth Evolve as Linear Models Under Gradient Descentcited by 732
- 2018On Lazy Training in Differentiable Programmingcited by 671
- 2018Gradient Descent Provably Optimizes Over-parameterized Neural Networkscited by 655
- 2018FastGCN: Fast Learning with Graph Convolutional Networks via Importance Samplingcited by 583
- 2018Gradient Descent Finds Global Minima of Deep Neural Networkscited by 572
- 2019Fine-Grained Analysis of Optimization and Generalization for Overparameterized Two-Layer Neural Networkscited by 562
- 2019Cluster-GCN: An Efficient Algorithm for Training Deep and Large Graph Convolutional Networkscited by 540
- 2019DeepGCNs: Can GCNs Go as Deep as CNNs?cited by 527
- 2019Provably Powerful Graph Networkscited by 385
- 2018On the Optimization of Deep Networks: Implicit Acceleration by Overparameterizationcited by 280
- 2018Learning Overparameterized Neural Networks via Stochastic Gradient Descent on Structured Datacited by 260
- 2020DeeperGCN: All You Need to Train Deeper GCNscited by 249
- 2016Molecular Graph Convolutions: Moving Beyond Fingerprintscited by 238
- 2016Deep Learning without Poor Local Minimacited by 233
- 2020How Neural Networks Extrapolate: From Feedforward to Graph Neural Networkscited by 218
- 2020Generalization and Representational Limits of Graph Neural Networkscited by 217
- 2020Random Features Strengthen Graph Neural Networkscited by 184
- 2019Universal Invariant and Equivariant Graph Neural Networkscited by 182
- 2018Adaptive Sampling Towards Fast Graph Representation Learningcited by 180
- 2018A Convergence Analysis of Gradient Descent for Deep Linear Neural Networkscited by 180
- 2019Layer-Dependent Importance Sampling for Training Deep and Large Graph Convolutional Networkscited by 177
- 2019On the equivalence between graph isomorphism testing and function approximation with GNNscited by 172
- 2020Directional convergence and alignment in deep learningcited by 172
- 2019Graph Neural Tangent Kernel: Fusing Graph Neural Networks with Graph Kernelscited by 160
- 2019What Can Neural Networks Reason About?cited by 155
- 2020On the linearity of large non-linear models: when and why the tangent kernel is constantcited by 129
- 2020GraphNorm: A Principled Approach to Accelerating Graph Neural Network Trainingcited by 116
- 2016Identity Matters in Deep Learningcited by 107
- 2019On the Power and Limitations of Random Features for Understanding Neural Networkscited by 103
- 2018Attention-based Graph Neural Network for Semi-supervised Learningcited by 100
- 2019Dynamics of Deep Neural Networks and Neural Tangent Hierarchycited by 96
- 2019Approximation Ratios of Graph Neural Networks for Combinatorial Problemscited by 68
- 2017Deep linear neural networks with arbitrary loss: All local minima are globalcited by 64
- 2018N-GCN: Multi-scale Graph Convolution for Semi-supervised Node Classificationcited by 54
- 2019Width Provably Matters in Optimization for Deep Linear Neural Networkscited by 52
- 2018Gradient descent with identity initialization efficiently learns positive definite linear transformations by deep residual networkscited by 44
50 most cited of 58 All 58 (JSON)
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Citing papers per year: 2021: 12; 2022: 10; 2023: 16; 2024: 9; 2025: 8.
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- 2024On provable privacy vulnerabilities of graph representations6 Feb 2024
- 2024Future Directions in the Theory of Graph Machine Learning3 Feb 2024
- 2024Accurate and Scalable Estimation of Epistemic Uncertainty for Graph Neural Networks7 Jan 2024
- 2023Degree-based stratification of nodes in Graph Neural Networks16 Dec 2023
- 2023Multi-agent Reinforcement Learning: A Comprehensive Survey15 Dec 2023
- 2023Expressive Sign Equivariant Networks for Spectral Geometric Learning4 Dec 2023
- 2023Are GATs Out of Balance?11 Oct 2023
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- 2023Deep graphical regression for jointly moderate and extreme Australian wildfires28 Aug 2023
- 2023Graph Neural Bandits21 Aug 2023
- 2023The Snowflake Hypothesis: Training Deep GNN with One Node One Receptive field19 Aug 2023
- 2023Quantifying the Optimization and Generalization Advantages of Graph Neural Networks Over Multilayer Perceptrons24 Jun 2023
- 2023BeMap: Balanced Message Passing for Fair Graph Neural Network7 Jun 2023
- 2023Centered Self-Attention Layers2 Jun 2023
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- 2022How Powerful are Spectral Graph Neural Networkscited by 169
- 2022Learning Causally Invariant Representations for Out-of-Distribution Generalization on Graphscited by 144
- 2021Weisfeiler and Leman go Machine Learning: The Story so farcited by 121
- 2022A Survey on Graph Representation Learning Methodscited by 66
- 2021When Do Extended Physics-Informed Neural Networks (XPINNs) Improve Generalization?cited by 57
- 2021How Powerful is Graph Convolution for Recommendation?cited by 50
- 2022Augmented Physics-Informed Neural Networks (APINNs): A gating network-based soft domain decomposition methodologycited by 43
- 2022Graph Neural Networks are Inherently Good Generalizers: Insights by Bridging GNNs and MLPscited by 42
- 2021Bag of Tricks for Training Deeper Graph Neural Networks: A Comprehensive Benchmark Studycited by 36
- 2023Graph Neural Networks with Learnable and Optimal Polynomial Basescited by 36
- 2021Deep Active Learning by Leveraging Training Dynamicscited by 32
12 most cited of 55 All 55 (JSON)
- 2025Theoretical Learning Performance of Graph Neural Networks: The Impact of Jumping Connections and Layer-wise Sparsification7 Jul 2025
- 2025Understanding Generalization in Node and Link Prediction1 Jul 2025
- 2025Amatriciana: Exploiting Temporal GNNs for Robust and Efficient Money Laundering Detection31 May 2025
- 2025Backward Oversmoothing: why is it hard to train deep Graph Neural Networks?22 May 2025
- 2025Efficient Mixed Precision Quantization in Graph Neural Networks14 May 2025
- 2025Graph ODEs and Beyond: A Comprehensive Survey on Integrating Differential Equations with Graph Neural Networks29 Mar 2025
- 2025Statistical physics analysis of graph neural networks: Approaching optimality in the contextual stochastic block model3 Mar 2025
- 2025Accurate and Scalable Graph Neural Networks via Message Invariance27 Feb 2025
- 2024Asymmetric Learning for Spectral Graph Neural Networks16 Dec 2024
- 2024Causality-based Subject and Task Fingerprints using fMRI Time-series Data26 Sep 2024
- 2024Foundations and Frontiers of Graph Learning Theory3 Jul 2024
- 2024Conditional Local Feature Encoding for Graph Neural Networks8 May 2024
12 newest of 55 All 55 (JSON)