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Graph Neural Networks (GNNs) are a promising deep learning approach for circumventing many real-world problems on graph-structured data. However, these models usually have at least one of four fundamental limitations: over-smoothing,…

Machine Learning · Computer Science 2022-10-03 Xun Liu , Alex Hay-Man Ng , Fangyuan Lei , Yikuan Zhang , Zhengmin Li

A common issue in Graph Neural Networks (GNNs) is known as over-smoothing. By increasing the number of iterations within the message-passing of GNNs, the nodes' representations of the input graph align with each other and become…

Machine Learning · Computer Science 2021-10-22 Christian M. M. Frey , Yunpu Ma , Matthias Schubert

Graph neural networks (GNNs) manifest pathologies including over-smoothing and limited discriminating power as a result of suboptimally expressive aggregating mechanisms. We herein present a unifying framework for stochastic aggregation…

Machine Learning · Statistics 2021-03-01 Yuanqing Wang , Theofanis Karaletsos

Graph Neural Networks (GNNs) with equivariant properties have achieved significant success in modeling complex dynamic systems and molecular properties. However, their expressiveness ability is limited by: (1) Existing methods often…

Machine Learning · Computer Science 2025-11-04 Yingxu Wang , Nan Yin , Mingyan Xiao , Xinhao Yi , Siwei Liu , Shangsong Liang

In the graph domain, deep graph networks based on Message Passing Neural Networks (MPNNs) or Graph Transformers often cause over-smoothing of node features, limiting their expressive capacity. Many upsampling techniques involving node and…

Machine Learning · Computer Science 2026-02-03 Xiaotang Wang , Yun Zhu , Haizhou Shi , Yongchao Liu , Yongqi Zhang

Graph Neural Networks (GNNs) have emerged as a notorious alternative to address learning problems dealing with non-Euclidean datasets. However, although most works assume that the graph is perfectly known, the observed topology is prone to…

Machine Learning · Computer Science 2023-12-12 Victor M. Tenorio , Samuel Rey , Antonio G. Marques

Interpreting graph neural networks (GNNs) is difficult because message passing mixes signals and internal channels rarely align with human concepts. We study superposition, the sharing of directions by multiple features, directly in the…

Machine Learning · Computer Science 2026-01-19 Lukas Pertl , Han Xuanyuan , Pietro Liò

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

Existing approaches for graph neural networks commonly suffer from the oversmoothing issue, regardless of how neighborhoods are aggregated. Most methods also focus on transductive scenarios for fixed graphs, leading to poor generalization…

Machine Learning · Computer Science 2020-06-25 Kyuyong Shin , Wonyoung Shin , Jung-Woo Ha , Sunyoung Kwon

The dominant paradigm for learning on graph-structured data is message passing. Despite being a strong inductive bias, the local message passing mechanism suffers from pathological issues such as over-smoothing, over-squashing, and limited…

Machine Learning · Computer Science 2025-04-15 Jacob Bamberger , Federico Barbero , Xiaowen Dong , Michael M. Bronstein

Graph neural networks (GNNs) have achieved success in various inference tasks on graph-structured data. However, common challenges faced by many GNNs in the literature include the problem of graph node embedding under various geometries and…

Machine Learning · Computer Science 2023-03-03 Qiyu Kang , Kai Zhao , Yang Song , Sijie Wang , Rui She , Wee Peng Tay

In this paper, we explore the approximation theory of functions defined on graphs. Our study builds upon the approximation results derived from the $K$-functional. We establish a theoretical framework to assess the lower bounds of…

Machine Learning · Computer Science 2024-08-06 Guangrui Yang , Jianfei Li , Ming Li , Han Feng , Ding-Xuan Zhou

Deep graph neural networks (GNNs) often suffer from oversmoothing, where node representations become overly homogeneous with increasing depth. While techniques like normalization, residual connections, and edge dropout have been proposed to…

Machine Learning · Computer Science 2025-05-30 Jiaqi Wang , Xinyi Wu , James Cheng , Yifei Wang

Graph Neural Networks (GNNs) are powerful deep learning methods for Non-Euclidean data. Popular GNNs are message-passing algorithms (MPNNs) that aggregate and combine signals in a local graph neighborhood. However, shallow MPNNs tend to…

Machine Learning · Statistics 2022-11-08 Ningyuan Huang , Soledad Villar , Carey E. Priebe , Da Zheng , Chengyue Huang , Lin Yang , Vladimir Braverman

Subgraph GNNs enhance message-passing GNNs expressivity by representing graphs as sets of subgraphs, demonstrating impressive performance across various tasks. However, their scalability is hindered by the need to process large numbers of…

Machine Learning · Computer Science 2025-06-02 Guy Bar-Shalom , Yam Eitan , Fabrizio Frasca , Haggai Maron

In recent years, graph neural networks (GNNs) have become a popular tool for solving various problems over graphs. In these models, the link structure of the graph is typically exploited and nodes' embeddings are iteratively updated based…

Machine Learning · Computer Science 2024-09-10 Fatemeh Gholamzadeh Nasrabadi , AmirHossein Kashani , Pegah Zahedi , Mostafa Haghir Chehreghani

Matching, a task to optimally assign limited resources under constraints, is a fundamental technology for society. The task potentially has various objectives, conditions, and constraints; however, the efficient neural network architecture…

Machine Learning · Computer Science 2023-10-20 Shusaku Sone , Jiaxin Ma , Atsushi Hashimoto , Naoya Chiba , Yoshitaka Ushiku

Most graph neural networks (GNNs) are prone to the phenomenon of over-squashing in which node features become insensitive to information from distant nodes in the graph. Recent works have shown that the topology of the graph has the…

Machine Learning · Computer Science 2023-11-30 Julia Balla

Graph neural networks (GNNs) learn the representation of graph-structured data, and their expressiveness can be further enhanced by inferring node relations for propagation. Attention-based GNNs infer neighbor importance to manipulate the…

Machine Learning · Computer Science 2023-06-06 Soo Yong Lee , Fanchen Bu , Jaemin Yoo , Kijung Shin

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