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We define a generic class of functions that captures most conceivable aggregations for Message-Passing Graph Neural Networks (MP-GNNs), and prove that any MP-GNN model with such aggregations induces only a polynomial number of equivalence…

Machine Learning · Computer Science 2026-03-24 Eran Rosenbluth

Graph neural networks (GNNs) work remarkably well in semi-supervised node regression, yet a rigorous theory explaining when and why they succeed remains lacking. To address this gap, we study an aggregate-and-readout model that encompasses…

Machine Learning · Statistics 2026-02-20 Juntong Chen , Claire Donnat , Olga Klopp , Johannes Schmidt-Hieber

Graph Neural Networks (GNNs) suffer from Oversquashing, which occurs when tasks require long-range interactions. The problem arises from the presence of bottlenecks that limit the propagation of messages among distant nodes. Recently, graph…

Machine Learning · Computer Science 2025-09-09 Kushal Bose , Swagatam Das

Graph neural networks (GNNs) are composed of layers consisting of graph convolutions and pointwise nonlinearities. Due to their invariance and stability properties, GNNs are provably successful at learning representations from data…

Machine Learning · Computer Science 2023-08-09 Luana Ruiz , Luiz F. O. Chamon , Alejandro Ribeiro

The expressive power of graph neural networks (GNNs) is typically understood through their correspondence with graph isomorphism tests such as the Weisfeiler-Leman (WL) hierarchy. While more expressive GNNs can distinguish a richer set of…

It is well established that spectral graph neural networks (GNNs) can universally approximate node signals; however, their expressive power remains bounded by the 1-dimensional Weisfeiler-Lehman test, which is mirrored in their lack of…

Machine Learning · Computer Science 2026-05-26 Xiaohan Wang , Deyu Bo , Longlong Li , Kelin Xia

A wide range of models have been proposed for Graph Generative Models, necessitating effective methods to evaluate their quality. So far, most techniques use either traditional metrics based on subgraph counting, or the representations of…

Machine Learning · Statistics 2022-06-14 Hamed Shirzad , Kaveh Hassani , Danica J. Sutherland

Message-Passing Neural Networks (MPNNs) have become a cornerstone for processing and analyzing graph-structured data. However, their effectiveness is often hindered by phenomena such as over-squashing, where long-range dependencies or…

Machine Learning · Computer Science 2025-05-30 Shahaf E. Finder , Ron Shapira Weber , Moshe Eliasof , Oren Freifeld , Eran Treister

The ability of message-passing neural networks (MPNNs) to fit complex functions over graphs is limited as most graph convolutions amplify the same signal across all feature channels, a phenomenon known as rank collapse, and over-smoothing…

Machine Learning · Computer Science 2024-12-10 Andreas Roth , Franka Bause , Nils M. Kriege , Thomas Liebig

The $k$-Weisfeiler-Leman ($k$-WL) graph isomorphism test hierarchy is a common method for assessing the expressive power of graph neural networks (GNNs). Recently, GNNs whose expressive power is equivalent to the $2$-WL test were proven to…

Machine Learning · Computer Science 2024-06-27 Snir Hordan , Tal Amir , Nadav Dym

Graph Neural Network (GNN) has been demonstrated its effectiveness in dealing with non-Euclidean structural data. Both spatial-based and spectral-based GNNs are relying on adjacency matrix to guide message passing among neighbors during…

Machine Learning · Computer Science 2021-06-09 Yang Hu , Haoxuan You , Zhecan Wang , Zhicheng Wang , Erjin Zhou , Yue Gao

While Graph Neural Networks (GNNs) have achieved remarkable success, their design largely relies on empirical intuition rather than theoretical understanding. In this paper, we present a comprehensive analysis of GNN behavior through three…

Machine Learning · Computer Science 2025-02-04 Qin Jiang , Chengjia Wang , Michael Lones , Wei Pang

Graph neural networks (GNNs) have emerged as a powerful tool for nonlinear processing of graph signals, exhibiting success in recommender systems, power outage prediction, and motion planning, among others. GNNs consists of a cascade of…

Machine Learning · Computer Science 2020-12-02 Fernando Gama , Joan Bruna , Alejandro Ribeiro

The expressive power of Graph Neural Networks (GNNs) is often analysed via correspondence to the Weisfeiler-Leman (WL) algorithm and fragments of first-order logic. Standard GNNs are limited to performing aggregation over immediate…

Machine Learning · Computer Science 2026-02-23 Huan Luo , Jonni Virtema

Graph neural networks (GNNs), consisting of a cascade of layers applying a graph convolution followed by a pointwise nonlinearity, have become a powerful architecture to process signals supported on graphs. Graph convolutions (and thus,…

Machine Learning · Computer Science 2019-10-23 Fernando Gama , Joan Bruna , Alejandro Ribeiro

While message passing neural networks (MPNNs) have convincing success in a range of applications, they exhibit limitations such as the oversquashing problem and their inability to capture long-range interactions. Augmenting MPNNs with a…

Machine Learning · Computer Science 2025-04-08 Joshua Southern , Francesco Di Giovanni , Michael Bronstein , Johannes F. Lutzeyer

A graph neural network (GNN) is a good choice for predicting the chemical properties of molecules. Compared with other deep networks, however, the current performance of a GNN is limited owing to the "curse of depth." Inspired by…

Machine Learning · Computer Science 2020-08-19 Katsuhiko Ishiguro , Kenta Oono , Kohei Hayashi

Graph neural networks (GNNs) have become the dominant solution for learning on graphs, the typical non-Euclidean structures. Conventional GNNs, constructed with the Artificial Neuron Network (ANN), have achieved impressive performance at…

Machine Learning · Computer Science 2024-10-24 Li Sun , Zhenhao Huang , Qiqi Wan , Hao Peng , Philip S. Yu

Graph Neural Networks (GNNs) face two fundamental challenges when scaled to deep architectures: oversmoothing, where node representations converge to indistinguishable vectors, and oversquashing, where information from distant nodes fails…

Machine Learning · Computer Science 2026-03-30 Mostafa Haghir Chehreghani

The success of Graph Neural Networks (GNN) in learning on non-Euclidean data arouses many subtopics, such as Label-inputted GNN (LGNN) and Implicit GNN (IGNN). LGNN, explicitly inputting supervising information (a.k.a. labels) in GNN,…

Machine Learning · Computer Science 2023-06-01 Yi Luo , Guiduo Duan , Guangchun Luo , Aiguo Chen