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We study the approximation power of Graph Neural Networks (GNNs) on latent position random graphs. In the large graph limit, GNNs are known to converge to certain "continuous" models known as c-GNNs, which directly enables a study of their…

Machine Learning · Statistics 2021-06-01 Nicolas Keriven , Alberto Bietti , Samuel Vaiter

Graph Neural Networks (GNNs) are learning models aimed at processing graphs and signals on graphs. The most popular and successful GNNs are based on message passing schemes. Such schemes inherently have limited expressive power when it…

Machine Learning · Computer Science 2022-06-24 Jacob Bamberger

While Graph Neural Networks (GNNs) recently became powerful tools in graph learning tasks, considerable efforts have been spent on improving GNNs' structural encoding ability. A particular line of work proposed subgraph GNNs that use…

Machine Learning · Computer Science 2023-10-31 Lecheng Kong , Jiarui Feng , Hao Liu , Dacheng Tao , Yixin Chen , Muhan Zhang

Graph Neural Networks (GNNs) have achieved much success on graph-structured data. In light of this, there have been increasing interests in studying their expressive power. One line of work studies the capability of GNNs to approximate…

Machine Learning · Computer Science 2023-02-14 Zhengdao Chen , Soledad Villar , Lei Chen , Joan Bruna

Graph spectra are an important class of structural features on graphs that have shown promising results in enhancing Graph Neural Networks (GNNs). Despite their widespread practical use, the theoretical understanding of the power of…

Machine Learning · Computer Science 2025-03-04 Jingchu Gai , Yiheng Du , Bohang Zhang , Haggai Maron , Liwei Wang

Graph neural network (GNN) is effective to model graphs for distributed representations of nodes and an entire graph. Recently, research on the expressive power of GNN attracted growing attention. A highly-expressive GNN has the ability to…

Machine Learning · Computer Science 2022-03-01 Chengsheng Mao , Yuan Luo

Graph Neural Networks (GNNs) are recently proposed neural network structures for the processing of graph-structured data. Due to their employed neighbor aggregation strategy, existing GNNs focus on capturing node-level information and…

Machine Learning · Computer Science 2022-01-05 Xing Ai , Chengyu Sun , Zhihong Zhang , Edwin R Hancock

Graph Neural Networks (GNNs), especially message-passing neural networks (MPNNs), have emerged as powerful architectures for learning on graphs in diverse applications. However, MPNNs face challenges when modeling non-local interactions in…

Machine Learning · Statistics 2024-01-31 Ilyes Batatia , Lars L. Schaaf , Huajie Chen , Gábor Csányi , Christoph Ortner , Felix A. Faber

Graph neural networks (GNNs) have achieved remarkable success in a variety of machine learning tasks over graph data. Existing GNNs usually rely on message passing, i.e., computing node representations by gathering information from the…

Machine Learning · Computer Science 2024-10-15 Junru Zhou , Cai Zhou , Xiyuan Wang , Pan Li , Muhan Zhang

Recent advances in Graph Neural Networks (GNNs) have explored the potential of random noise as an input feature to enhance expressivity across diverse tasks. However, naively incorporating noise can degrade performance, while architectures…

Machine Learning · Computer Science 2025-02-05 Xiyuan Wang , Muhan Zhang

Theoretical studies on the representation power of GNNs have been centered around understanding the equivalence of GNNs, using WL-Tests for detecting graph isomorphism. In this paper, we argue that such equivalence ignores the accompanying…

Machine Learning · Computer Science 2024-08-26 P. Krishna Kumar a , Harish G. Ramaswamy

Neural networks that process the parameters of other neural networks find applications in domains as diverse as classifying implicit neural representations, generating neural network weights, and predicting generalization errors. However,…

Quadratic programming (QP) is the most widely applied category of problems in nonlinear programming. Many applications require real-time/fast solutions, though not necessarily with high precision. Existing methods either involve matrix…

Machine Learning · Computer Science 2025-09-23 Ziang Chen , Xiaohan Chen , Jialin Liu , Xinshang Wang , Wotao Yin

Subgraph counting is a fundamental task for analyzing structural patterns in graph-structured data, with important applications in domains such as computational biology and social network analysis, where recurring motifs reveal functional…

Machine Learning · Computer Science 2025-12-02 Shubhajit Roy , Shrutimoy Das , Binita Maity , Anant Kumar , Anirban Dasgupta

In recent years, the remarkable success of graph neural networks (GNNs) on graph-structured data has prompted a surge of methods for explaining GNN predictions. However, the state-of-the-art for GNN explainability remains in flux. Different…

Machine Learning · Computer Science 2025-08-05 Jesse He , Akbar Rafiey , Gal Mishne , Yusu Wang

Message Passing Neural Networks (MPNNs) are a common type of Graph Neural Network (GNN), in which each node's representation is computed recursively by aggregating representations (messages) from its immediate neighbors akin to a…

Machine Learning · Computer Science 2022-04-22 Lingxiao Zhao , Wei Jin , Leman Akoglu , Neil Shah

This work generalizes graph neural networks (GNNs) beyond those based on the Weisfeiler-Lehman (WL) algorithm, graph Laplacians, and diffusions. Our approach, denoted Relational Pooling (RP), draws from the theory of finite partial…

Machine Learning · Computer Science 2019-05-16 Ryan L. Murphy , Balasubramaniam Srinivasan , Vinayak Rao , Bruno Ribeiro

Graph kernels are historically the most widely-used technique for graph classification tasks. However, these methods suffer from limited performance because of the hand-crafted combinatorial features of graphs. In recent years, graph neural…

Machine Learning · Computer Science 2022-02-28 Aosong Feng , Chenyu You , Shiqiang Wang , Leandros Tassiulas

Graph neural networks (GNN) have shown great advantages in many graph-based learning tasks but often fail to predict accurately for a task-based on sets of nodes such as link/motif prediction and so on. Many works have recently proposed to…

Machine Learning · Computer Science 2022-06-24 Haorui Wang , Haoteng Yin , Muhan Zhang , Pan Li

We focus on graph classification using a graph neural network (GNN) model that precomputes the node features using a bank of neighborhood aggregation graph operators arranged in parallel. These GNN models have a natural advantage of reduced…

Machine Learning · Computer Science 2022-11-23 Siddhant Doshi , Sundeep Prabhakar Chepuri