Graph Structure of Neural Networks
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Abstract (arXiv)
Neural networks are often represented as graphs of connections between neurons. However, despite their wide use, there is currently little understanding of the relationship between the graph structure of the neural network and its predictive performance. Here we systematically investigate how does the graph structure of neural networks affect their predictive performance. To this end, we develop a novel graph-based representation of neural networks called relational graph, where layers of neural network computation correspond to rounds of message exchange along the graph structure. Using this representation we show that: (1) a "sweet spot" of relational graphs leads to neural networks with significantly improved predictive performance; (2) neural network's performance is approximately a smooth function of the clustering coefficient and average path length of its relational graph; (3) our findings are consistent across many different tasks and datasets; (4) the sweet spot can be identified efficiently; (5) top-performing neural networks have graph structure surprisingly similar to those of real biological neural networks. Our work opens new directions for the design of neural architectures and the understanding on neural networks in general.
Key facts. Cited by 67 papers in the map (data through 7 Oct 2026). First posted on arXiv 13 Jul 2020.
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Citing papers per year: 2021: 22; 2022: 14; 2023: 11; 2024: 7; 2025: 12; 2026: 1.
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- 2023InterGen: Diffusion-based Multi-human Motion Generation under Complex Interactionscited by 205
- 2021Identity-aware Graph Neural Networkscited by 197
- 2021Graph Neural Networks in Network Neurosciencecited by 91
- 2021Parameter Prediction for Unseen Deep Architecturescited by 89
- 2023Graph Metanetworks for Processing Diverse Neural Architecturescited by 55
- 2023When Brain-inspired AI Meets AGIcited by 54
- 2021Automated Machine Learning on Graphs: A Surveycited by 38
- 2022Temporal Domain Generalization with Drift-Aware Dynamic Neural Networkscited by 32
- 2021Fast End-to-End Speech Recognition via Non-Autoregressive Models and Cross-Modal Knowledge Transferring from BERTcited by 31
- 2021Understanding the Dynamics of DNNs Using Graph Modularitycited by 26
- 2021The Elastic Lottery Ticket Hypothesiscited by 23
- 2024Scale Equivariant Graph Metanetworkscited by 23
38 more
- 2021CATE: Computation-aware Neural Architecture Encoding with Transformerscited by 21
- 2021Designing the Topology of Graph Neural Networks: A Novel Feature Fusion Perspectivecited by 19
- 2022On Redundancy and Diversity in Cell-based Neural Architecture Searchcited by 18
- 2021Exploring Robust Architectures for Deep Artificial Neural Networkscited by 11
- 2021Quantifying Local Specialization in Deep Neural Networkscited by 10
- 2022Automated Graph Machine Learning: Approaches, Libraries, Benchmarks and Directionscited by 8
- 2024Optimal Recurrent Network Topologies for Dynamical Systems Reconstructioncited by 8
- 2021Understanding and Accelerating Neural Architecture Search with Training-Free and Theory-Grounded Metricscited by 7
- 2021Graph-Based Similarity of Neural Network Representationscited by 7
- 2022A Unified and Biologically-Plausible Relational Graph Representation of Vision Transformerscited by 7
- 2022Improving Deep Neural Network Random Initialization Through Neuronal Rewiringcited by 7
- 2023Core-Periphery Principle Guided Redesign of Self-Attention in Transformerscited by 7
- 2023Building Extraction from Remote Sensing Images via an Uncertainty-Aware Networkcited by 7
- 2023NAR-Former V2: Rethinking Transformer for Universal Neural Network Representation Learningcited by 6
- 2021Graph-based Neural Architecture Search with Operation Embeddingscited by 5
- 2022GraphPNAS: Learning Distribution of Good Neural Architectures via Deep Graph Generative Modelscited by 5
- 2023Bridging Lottery Ticket and Grokking: Understanding Grokking from Inner Structure of Networkscited by 5
- 2022Deep Architecture Connectivity Matters for Its Convergence: A Fine-Grained Analysiscited by 4
- 2022Transition to Linearity of General Neural Networks with Directed Acyclic Graph Architecturecited by 4
- 2022Coupling Visual Semantics of Artificial Neural Networks and Human Brain Function via Synchronized Activationscited by 4
- 2022Towards Better Generalization with Flexible Representation of Multi-Module Graph Neural Networkscited by 4
- 2024Principled Architecture-aware Scaling of Hyperparameterscited by 4
- 2021RAN-GNNs: breaking the capacity limits of graph neural networkscited by 3
- 2023Beyond Multilayer Perceptrons: Investigating Complex Topologies in Neural Networkscited by 3
- 2023Understanding Sparse Neural Networks from their Topology via Multipartite Graph Representationscited by 2
- 2025NN-Former: Rethinking Graph Structure in Neural Architecture Representationcited by 2
- 2025Task complexity shapes internal representations and robustness in neural networkscited by 2
- 2021GGT: Graph-Guided Testing for Adversarial Sample Detection of Deep Neural Networkcited by 1
- 2021RGP: Neural Network Pruning through Its Regular Graph Structurecited by 1
- 2021Leveraging the Graph Structure of Neural Network Training Dynamicscited by 1
- 2024Geometric sparsification in recurrent neural networkscited by 1
- 2025Semantic Depth Matters: Explaining Errors of Deep Vision Networks through Perceived Class Similaritiescited by 1
- 2025Structure-Aware Automatic Channel Pruning by Searching with Graph Embeddingcited by 1
- 2025Effective Fine-Tuning with Eigenvector Centrality Based Pruningcited by 1
- 2021Livewired Neural Networks: Making Neurons That Fire Together Wire Togethercited by 0
- 2021Generalization of graph network inferences in higher-order graphical modelscited by 0
- 2021Subspace Graph Physics: Real-Time Rigid Body-Driven Granular Flow Simulationcited by 0
- 2021Network Graph Based Neural Architecture Searchcited by 0
50 most cited of 67 All 67 (JSON)
- 2026Connectome-to-Function: Conditional Generative Latent Representations for Reservoir Computing5 Sep 2026
- 2025Effective Fine-Tuning with Eigenvector Centrality Based Pruning14 Dec 2025
- 2025Modeling Transformers as complex networks to analyze learning dynamics18 Sep 2025
- 2025Application of discrete Ricci curvature in pruning randomly wired neural networks: A case study with chest x-ray classification of COVID-1930 Aug 2025
- 2025Task complexity shapes internal representations and robustness in neural networks7 Aug 2025
- 2025Graph Lineages and Skeletal Graph Products31 Jul 2025
- 2025Self-similarity Analysis in Deep Neural Networks23 Jul 2025
- 2025Effects of relational graph modularity and depth on the learning performance of neural networks14 Jul 2025
- 2025NN-Former: Rethinking Graph Structure in Neural Architecture Representation1 Jul 2025
- 2025Structure-Aware Automatic Channel Pruning by Searching with Graph Embedding13 Jun 2025
- 2025Automatic and Structure-Aware Sparsification of Hybrid Neural ODEs25 May 2025
- 2025Semantic Depth Matters: Explaining Errors of Deep Vision Networks through Perceived Class Similarities14 Apr 2025
38 more
- 2025Geometric Properties and Graph-Based Optimization of Neural Networks: Addressing Non-Linearity, Dimensionality, and Scalability24 Feb 2025
- 2024Scale Equivariant Graph Metanetworks15 Jun 2024
- 2024Rule Based Learning with Dynamic (Graph) Neural Networks14 Jun 2024
- 2024Geometric sparsification in recurrent neural networks10 Jun 2024
- 2024Optimal Recurrent Network Topologies for Dynamical Systems Reconstruction7 Jun 2024
- 2024Graph Expansion in Pruned Recurrent Neural Network Layers Preserve Performance17 Mar 2024
- 2024Principled Architecture-aware Scaling of Hyperparameters27 Feb 2024
- 2024Neuron-centric Hebbian Learning16 Feb 2024
- 2023Graph Metanetworks for Processing Diverse Neural Architectures7 Dec 2023
- 2023Bridging Lottery Ticket and Grokking: Understanding Grokking from Inner Structure of Networks30 Oct 2023
- 2023Unveiling Invariances via Neural Network Pruning15 Sep 2023
- 2023Building Extraction from Remote Sensing Images via an Uncertainty-Aware Network23 Jul 2023
- 2023NAR-Former V2: Rethinking Transformer for Universal Neural Network Representation Learning19 Jun 2023
- 2023Understanding Sparse Neural Networks from their Topology via Multipartite Graph Representations26 May 2023
- 2023InterGen: Diffusion-based Multi-human Motion Generation under Complex Interactions12 Apr 2023
- 2023Beyond Multilayer Perceptrons: Investigating Complex Topologies in Neural Networks31 Mar 2023
- 2023When Brain-inspired AI Meets AGI28 Mar 2023
- 2023CP-CNN: Core-Periphery Principle Guided Convolutional Neural Network27 Mar 2023
- 2023Core-Periphery Principle Guided Redesign of Self-Attention in Transformers27 Mar 2023
- 2022GraphPNAS: Learning Distribution of Good Neural Architectures via Deep Graph Generative Models28 Nov 2022
- 2022Efficient Automatic Machine Learning via Design Graphs21 Oct 2022
- 2022Towards Better Generalization with Flexible Representation of Multi-Module Graph Neural Networks14 Sep 2022
- 2022Improving Deep Neural Network Random Initialization Through Neuronal Rewiring17 Jul 2022
- 2022Coupling Visual Semantics of Artificial Neural Networks and Human Brain Function via Synchronized Activations22 Jun 2022
- 2022Transition to Linearity of General Neural Networks with Directed Acyclic Graph Architecture24 May 2022
- 2022Temporal Domain Generalization with Drift-Aware Dynamic Neural Networks21 May 2022
- 2022Brain Cortical Functional Gradients Predict Cortical Folding Patterns via Attention Mesh Convolution21 May 2022
- 2022A Unified and Biologically-Plausible Relational Graph Representation of Vision Transformers20 May 2022
- 2022Deep Architecture Connectivity Matters for Its Convergence: A Fine-Grained Analysis11 May 2022
- 2022On Redundancy and Diversity in Cell-based Neural Architecture Search16 Mar 2022
- 2022Evolving Neural Networks with Optimal Balance between Information Flow and Connections Cost12 Feb 2022
- 2022Mold into a Graph: Efficient Bayesian Optimization over Mixed-Spaces2 Feb 2022
- 2022Automated Graph Machine Learning: Approaches, Libraries, Benchmarks and Directions4 Jan 2022
- 2021Designing the Topology of Graph Neural Networks: A Novel Feature Fusion Perspective29 Dec 2021
- 2021Network Graph Based Neural Architecture Search15 Dec 2021
- 2021Understanding the Dynamics of DNNs Using Graph Modularity24 Nov 2021
- 2021Graph-Based Similarity of Neural Network Representations22 Nov 2021
- 2021Subspace Graph Physics: Real-Time Rigid Body-Driven Granular Flow Simulation18 Nov 2021
50 newest of 67 All 67 (JSON)
- 2021Identity-aware Graph Neural Networkscited by 197
- 2021Graph Neural Networks in Network Neurosciencecited by 91
- 2021Parameter Prediction for Unseen Deep Architecturescited by 89
- 2023Graph Metanetworks for Processing Diverse Neural Architecturescited by 55
- 2023When Brain-inspired AI Meets AGIcited by 54
- 2021Automated Machine Learning on Graphs: A Surveycited by 38
- 2022Temporal Domain Generalization with Drift-Aware Dynamic Neural Networkscited by 32
- 2021Fast End-to-End Speech Recognition via Non-Autoregressive Models and Cross-Modal Knowledge Transferring from BERTcited by 31
- 2021Understanding the Dynamics of DNNs Using Graph Modularitycited by 26
- 2021The Elastic Lottery Ticket Hypothesiscited by 23
- 2024Scale Equivariant Graph Metanetworkscited by 23
- 2021CATE: Computation-aware Neural Architecture Encoding with Transformerscited by 21
12 most cited of 66 All 66 (JSON)
- 2026Connectome-to-Function: Conditional Generative Latent Representations for Reservoir Computing5 Sep 2026
- 2025Effective Fine-Tuning with Eigenvector Centrality Based Pruning14 Dec 2025
- 2025Modeling Transformers as complex networks to analyze learning dynamics18 Sep 2025
- 2025Application of discrete Ricci curvature in pruning randomly wired neural networks: A case study with chest x-ray classification of COVID-1930 Aug 2025
- 2025Task complexity shapes internal representations and robustness in neural networks7 Aug 2025
- 2025Graph Lineages and Skeletal Graph Products31 Jul 2025
- 2025Self-similarity Analysis in Deep Neural Networks23 Jul 2025
- 2025Effects of relational graph modularity and depth on the learning performance of neural networks14 Jul 2025
- 2025NN-Former: Rethinking Graph Structure in Neural Architecture Representation1 Jul 2025
- 2025Structure-Aware Automatic Channel Pruning by Searching with Graph Embedding13 Jun 2025
- 2025Automatic and Structure-Aware Sparsification of Hybrid Neural ODEs25 May 2025
- 2025Semantic Depth Matters: Explaining Errors of Deep Vision Networks through Perceived Class Similarities14 Apr 2025
12 newest of 66 All 66 (JSON)