Investigates how neural network graph structure impacts predictive performance.
problem Lack of understanding between neural network graph structure and predictive performance.
method Developed relational graph representation to analyze neural networks, identifying a 'sweet spot' for improved performance.
result Identified a 'sweet spot' in relational graph structure that significantly improves neural network predictive performance.
Improved graph neural network bounds using graph diffusion matrix.
problem Empirical performance of graph neural networks on real-world graphs.
method Unified model of graph neural networks, focusing on feature diffusion matrix stability.
result Generalization bounds scale with largest singular value of feature diffusion matrix, smaller than prior bounds.
This thesis explores GNNs, categorizing them into local and global approaches.
problem Understanding the convergence of global GNNs and connecting local and global approaches.
method Categorization of GNNs into local and global, study of Invariant Graph Networks, connecting local and global approaches, and using local MPNN for graph coarsening.
result Established a connection between local and global GNN approaches.
Graph neural networks denote a group of neural network models introduced for the representation learning tasks on graph data specifically. Graph neural networks have been demonstrated to be effective for capturing network structure information, and the learned representations can achieve the state-of-the-art performanc…
Graphs of neural networks are represented to preserve symmetry, improving performance across various tasks.
problem Lack of equivariance in neural network representations of other neural networks.
method Represent neural networks as computational graphs and use graph neural networks to preserve permutation symmetry.
result Single model encodes diverse neural architectures, outperforming state-of-the-art methods.
GraphMoE generates random graphs using neural networks and graphlets.
problem Learning generative models for random graphs.
method GraphMoE uses a neural network trained with graphlets and subgraph counts to match the distribution of random graphs.
result GraphMoE can generate graphs that mimic various real-world datasets and fool graph classifiers.
Graph neural network (GNN) is a deep model for graph representation learning. One advantage of graph neural network is its ability to incorporate node features into the learning process. However, this prevents graph neural network from being applied into featureless graphs. In this paper, we first analyze the effects o…
Finslerian graph neural networks recover nonlinear diffusion geometry
problem Graph neural networks on point clouds
method Estimates of the Finsler Laplacian
result Recovery of Finsler geometry
Natural graph networks are a new class of graph neural networks that are more flexible and scalable.
problem Traditional graph neural networks are limited by equivariance to node permutations.
method Introduced natural graph networks, which are more flexible and scalable than conventional graph neural networks.
result Natural graph networks are as scalable as conventional message passing graph neural networks but more flexible.
Graph Metanetworks process diverse neural architectures efficiently.
problem Processing diverse neural architectures efficiently.
method Builds metanetworks using graph neural networks to process graphs representing input neural networks.
result Proves GMNs are expressive and equivariant to parameter permutation symmetries.
Existing graph neural networks may suffer from the "suspended animation problem" when the model architecture goes deep. Meanwhile, for some graph learning scenarios, e.g., nodes with text/image attributes or graphs with long-distance node correlations, deep graph neural networks will be necessary for effective graph re…
Study bounds graph neural networks' over-parameterized error.
problem Understanding graph neural networks' performance in over-parameterized regimes.
method Developed mean-field regime bounds for graph convolutional and message passing neural networks.
result Established upper bounds with a convergence rate of O(1/n) for generalization error. SpeqNets improve graph neural networks by scaling and adapting to graph sparsity.
problem Graph neural networks struggle with permutation-equivariant functions and scalability to large graphs.
method Introducing sparsity-aware, permutation-equivariant graph networks with heuristics for graph isomorphism.
result Significantly improved predictive performance and reduced computation times compared to existing methods.
Customized-GNN generates model-specific for each graph.
problem Graphs in the same dataset have distinct structures.
method Proposes Customized-GNN framework to generate model-specific for each graph.
result Demonstrates effectiveness on various graph classification benchmarks.
Deep learning has revolutionized many machine learning tasks in recent years, ranging from image classification and video processing to speech recognition and natural language understanding. The data in these tasks are typically represented in the Euclidean space. However, there is an increasing number of applications …
Most of the successful deep neural network architectures are structured, often consisting of elements like convolutional neural networks and gated recurrent neural networks. Recently, graph neural networks have been successfully applied to graph structured data such as point cloud and molecular data. These networks oft…
Graph neural networks can be adapted to new graphs with a limit object called graphon NNs.
problem Transferability of graph neural networks across different graphs.
method Introduced graphon NNs as limit objects of GNNs and proved a bound on the difference between GNN and graphon-NN outputs.
result The bound on the difference between GNN and graphon-NN outputs vanishes with growing number of nodes if the graph convolutional filters are bandlimited.
Explains differences between WL and folklore-WL formulations in graph neural networks.
problem Understanding the differences between WL and folklore-WL formulations in graph neural networks.
method Visual explanation of differences between WL and folklore-WL formulations.
result Clarifies the differences between WL and folklore-WL formulations.
Recently, graph neural networks have been adopted in a wide variety of applications ranging from relational representations to modeling irregular data domains such as point clouds and social graphs. However, the space of graph neural network architectures remains highly fragmented impeding the development of optimized …
Graph neural networks leverage graph filters to learn from network data.
problem Learning from network data with graph structure.
method Characterize graph neural networks using graph signal processing and graph convolutional filters.
result Graph neural networks have permutation equivariance and stability to topology changes.
New method improves graph neural networks by considering different types of relations in sampling.
problem Current graph neural networks ignore relation types in biomedical graphs, leading to suboptimal performance.
method Proposes relation-dependent sampling for multi-relational graphs to balance relation frequency and importance.
result State-of-the-art graph neural networks achieve better accuracy and efficiency with relation-dependent sampling.
Improved GNN handles long-range dependencies in multi-relational graphs.
problem Vanishing gradients in GNNs for multi-relational graphs.
method Proposes a Gated Graph Neural Network with improved long-range dependency handling.
result Outperforms popular GNN models in synthetic tasks.
Graph matching with feature vectors is solved using a two-layer graph neural network.
problem Graph matching in the presence of sparse binary features.
method Two-layer graph neural network with graph structure.
result Graph neural network can recover correct mapping with high probability under certain conditions.
Graph neural network using Beltrami flow for feature and topology evolution.
problem Efficient feature learning and topology evolution on graphs.
method Discretized Beltrami flow applied to graph neural networks with positional encodings.
result Achieves state-of-the-art results on various benchmarks.
AgentNet is a graph neural network that learns to walk graphs intelligently, outperforming traditional methods.
problem Graph-level tasks, especially distinguishing and classifying graphs.
method AgentNet uses a computational model inspired by sublinear algorithms, where neural agents walk the graph and collectively decide the output.
result AgentNet can distinguish and separate graphs that are hard to distinguish, outperforming traditional graph neural networks.
Edge features contain important information about graphs. However, current state-of-the-art neural network models designed for graph learning, e.g. graph convolutional networks (GCN) and graph attention networks (GAT), adequately utilize edge features, especially multi-dimensional edge features. In this paper, we build…
In this paper, we study the problem of node representation learning with graph neural networks. We present a graph neural network class named recurrent graph neural network (RGNN), that address the shortcomings of prior methods. By using recurrent units to capture the long-term dependency across layers, our methods can…
Develops a binarized GNN for more efficient graph embeddings.
problem Real-valued GNN parameters limit efficiency and scalability.
method Integrates binarization into GNN-based graph embedding approaches.
result Binarized graph neural network (BGN) achieves state-of-the-art performance with significant efficiency gains.
Graph neural networks speed up nonnegative matrix factorization.
problem Efficiently factorize nonnegative matrices for various applications.
method Developed a graph neural network that combines bipartite self-attention with ADMM updates.
result Significant acceleration achieved in nonnegative matrix factorization.
Graphs are essential representations of many real-world data such as social networks. Recent years have witnessed the increasing efforts made to extend the neural network models to graph-structured data. These methods, which are usually known as the graph neural networks, have been applied to advance many graphs relate…
We perform a massive evaluation of neural networks with architectures corresponding to random graphs of various types. We investigate various structural and numerical properties of the graphs in relation to neural network test accuracy. We find that none of the classical numerical graph invariants by itself allows to s…
A new method for neural network initialization using graph degeneracy.
problem Improving neural network performance through better initialization.
method Adapted k-hypercore decomposition for neural network initialization.
result k-hypercore outperforms state-of-the-art initialization methods.
A new neural network layer integrates graph learning into classification tasks.
problem Lack of relational information in standard deep learning architectures for label predictions.
method Derives backpropagation equations for a differentiable graph learning layer.
result Smooth label transitions, improved generalization, and robustness to adversarial attacks.
New model learns graph neural networks equivariant to various transformations.
problem Learning equivariant graph neural networks for complex transformations.
method E(n)-Equivariant Graph Neural Networks (EGNNs) that are computationally efficient and scalable.
result Achieves competitive or better performance without higher-order representations.
Study compares atom representations in graph neural networks for molecular properties.
problem Incorrect attribution of results in molecular property prediction due to varying atom features.
method Evaluated multiple atom representations on free energy, solubility, and metabolic stability predictions.
result Different atom representations can lead to varying predictive performance in graph neural networks.
We present GraphMix, a regularization method for Graph Neural Network based semi-supervised object classification, whereby we propose to train a fully-connected network jointly with the graph neural network via parameter sharing and interpolation-based regularization. Further, we provide a theoretical analysis of how G…
New centrality-based graph shift operators improve graph neural networks.
problem Improving graph neural networks by enhancing graph shift operators.
method Proposed Centrality Graph Shift Operators (CGSOs) using global centrality metrics.
result CGSOs lead to improved performance in graph neural networks on real-world datasets.
GNNs generalize CNNs for graph data, showing equivariance and stability.
problem Processing signals on graphs.
method Graph convolutional filters, nonlinearities, stacked layers.
result GNNs converge to graphon neural networks under graph convergence.
Graph neural networks have become one of the most important techniques to solve machine learning problems on graph-structured data. Recent work on vertex classification proposed deep and distributed learning models to achieve high performance and scalability. However, we find that the feature vectors of benchmark datas…
This survey clarifies dynamic network terminology and reviews GNN models for dynamic networks.
problem Ambiguity in dynamic network terminology and lack of GNN models for dynamic networks.
method Established consistent terminology and notation for dynamic networks, reviewed GNN models.
result Comprehensive survey of dynamic graph neural network models.
GCC pre-trains graph neural networks to transfer across diverse datasets.
problem Non-transferable graph models trained for specific datasets.
method Graph Contrastive Coding (GCC) framework using contrastive learning.
result GCC pre-trained models achieve competitive performance across multiple datasets.
Unified taxonomy for graph representation learning.
problem Lack of unified understanding and integration of graph representation learning methods.
method Proposes a Graph Encoder Decoder Model (GRAPHEDM) to unify graph neural networks, network embedding, and graph regularization.
result Unified taxonomy and Graph Encoder Decoder Model (GRAPHEDM) for graph representation learning.
Spektral simplifies graph neural networks with TensorFlow and Keras.
problem Building graph neural networks efficiently.
method Open-source library implementing various graph neural network methods.
result Performance of implemented methods in node, graph, and graph regression tasks.
We introduce Graph Neural Processes (GNP), inspired by the recent work in conditional and latent neural processes. A Graph Neural Process is defined as a Conditional Neural Process that operates on arbitrary graph data. It takes features of sparsely observed context points as input, and outputs a distribution over targ…
Graph neural networks over-smooth when layers increase, reducing discriminative power.
problem Over-smoothing in graph neural networks reduces model performance as the number of layers increases.
method Analyzed over-smoothing in general graph neural network architecture using Dirichlet energy.
result The Dirichlet energy of embeddings converges to zero, leading to loss of discriminative power.
Graph Neural Network improves causal inference in dynamic systems.
problem Identifying causal relations among multi-variate time series.
method Graph Neural Network approach with score-based method.
result Graph Neural Network significantly outperformed other methods in dynamic Bayesian network inference.
Graph neural networks struggle to distinguish certain graph structures.
problem Difficulty in distinguishing graphs with graph neural networks.
method Analysis of communication capacity in message-passing model of graph neural networks.
result Capacity of MPNN needs to grow linearly for trees and quadratically for general connected graphs.
GNNs learn graph representations, with new theory on their power and limitations.
problem Understanding the capabilities and limitations of GNNs.
method Theoretical analysis of GNNs, focusing on approximation and learning properties.
result New insights into the representation, generalization, and extrapolation of GNNs.