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Graph Neural Networks (GNNs) have achieved remarkable success across diverse applications, yet they remain limited by oversmoothing and poor performance on heterophilic graphs. To address these challenges, we introduce a novel framework…

Machine Learning · Computer Science 2025-11-19 Cristina López Amado , Tassilo Schwarz , Yu Tian , Renaud Lambiotte

While Graph Neural Networks (GNNs) have achieved enormous success in multiple graph analytical tasks, modern variants mostly rely on the strong inductive bias of homophily. However, real-world networks typically exhibit both homophilic and…

Machine Learning · Computer Science 2024-09-18 Jingwei Guo , Kaizhu Huang , Rui Zhang , Xinping Yi

In recent years, Graph Neural Networks (GNNs) have made significant advances in processing structured data. However, most of them primarily adopted a model-centric approach, which simplifies graphs by converting them into undirected formats…

Machine Learning · Computer Science 2024-12-12 Henan Sun , Xunkai Li , Daohan Su , Junyi Han , Rong-Hua Li , Guoren Wang

Graphs neural networks (GNNs) learn node features by aggregating and combining neighbor information, which have achieved promising performance on many graph tasks. However, GNNs are mostly treated as black-boxes and lack human intelligible…

Machine Learning · Computer Science 2020-06-05 Hao Yuan , Jiliang Tang , Xia Hu , Shuiwang Ji

Designing effective graph neural networks (GNNs) with message passing has two fundamental challenges, i.e., determining optimal message-passing pathways and designing local aggregators. Previous methods of designing optimal pathways are…

Machine Learning · Computer Science 2024-11-01 Junshu Sun , Shuhui Wang , Chenxue Yang , Qingming Huang

Under circumstances of heterophily, where nodes with different labels tend to be connected based on semantic meanings, Graph Neural Networks (GNNs) often exhibit suboptimal performance. Current studies on graph heterophily mainly focus on…

Machine Learning · Computer Science 2024-11-13 Yilun Zheng , Jiahao Xu , Lihui Chen

Graph neural networks (GNNs) have achieved remarkable success in node classification. Building on this progress, heterogeneous graph neural networks (HGNNs) integrate relation types and node and edge semantics to leverage heterogeneous…

Machine Learning · Computer Science 2025-10-08 Xiao Yang , Xuejiao Zhao , Zhiqi Shen

Graph neural networks (GNNs) have evolved into one of the most popular deep learning architectures. However, GNNs suffer from over-smoothing node information and, therefore, struggle to solve tasks where global graph properties are…

Machine Learning · Computer Science 2023-08-31 Bernhard Schäfl , Lukas Gruber , Johannes Brandstetter , Sepp Hochreiter

The information diffusion performance of GCN and its variant models is limited by the adjacency matrix, which can lower their performance. Therefore, we introduce a new framework for graph convolutional networks called Hybrid…

Machine Learning · Computer Science 2023-04-03 Zhi Yang , Kang Li , Haitao Gan , Zhongwei Huang , Ming Shi

Graph Neural Networks (GNNs) excel in handling graph-structured data but often underperform in link prediction tasks compared to classical methods, mainly due to the limitations of the commonly used message-passing principle. Notably, their…

Machine Learning · Computer Science 2025-02-18 Niloofar Azizi , Nils Kriege , Horst Bischof

Graph Attention Network (GAT) is one of the most popular Graph Neural Network (GNN) architecture, which employs the attention mechanism to learn edge weights and has demonstrated promising performance in various applications. However, since…

Machine Learning · Computer Science 2024-03-05 Qincheng Lu , Jiaqi Zhu , Sitao Luan , Xiao-Wen Chang

A fundamental challenge in understanding graph neural networks (GNNs) lies in characterizing their optimization dynamics and loss landscape geometry, critical for improving interpretability and robustness. While mode connectivity, a lens…

Machine Learning · Computer Science 2025-02-19 Bingheng Li , Zhikai Chen , Haoyu Han , Shenglai Zeng , Jingzhe Liu , Jiliang Tang

Graph Neural Networks (GNNs) have become the standard method for learning from networks across fields ranging from biology to social systems, yet a principled understanding of what enables them to extract meaningful representations, or why…

Machine Learning · Statistics 2026-03-19 Nil Ayday , Mahalakshmi Sabanayagam , Debarghya Ghoshdastidar

Graph Neural Networks (GNNs) have been studied through the lens of expressive power and generalization. However, their optimization properties are less well understood. We take the first step towards analyzing GNN training by studying the…

Machine Learning · Computer Science 2021-05-27 Keyulu Xu , Mozhi Zhang , Stefanie Jegelka , Kenji Kawaguchi

This paper studies the problem of learning message propagation strategies for graph neural networks (GNNs). One of the challenges for graph neural networks is that of defining the propagation strategy. For instance, the choices of…

Machine Learning · Computer Science 2023-10-03 Teng Xiao , Zhengyu Chen , Donglin Wang , Suhang Wang

Graph Convolutional Networks (GCNs) have gained significant developments in representation learning on graphs. However, current GCNs suffer from two common challenges: 1) GCNs are only effective with shallow structures; stacking multiple…

Machine Learning · Computer Science 2019-12-13 Menghan Wang , Kun Zhang , Gulin Li , Keping Yang , Luo Si

Graph neural networks (GNNs) have demonstrated excellent performance in semi-supervised node classification tasks. Despite this, two primary challenges persist: heterogeneity and heterophily. Each of these two challenges can significantly…

Machine Learning · Computer Science 2025-04-14 Kangkang Lu , Yanhua Yu , Zhiyong Huang , Yunshan Ma , Xiao Wang , Meiyu Liang , Yuling Wang , Yimeng Ren , Tat-Seng Chua

Graph neural networks (GNNs) have demonstrated remarkable capabilities in learning from graph-structured data, often outperforming traditional Multilayer Perceptrons (MLPs) in numerous graph-based tasks. Although existing works have…

Machine Learning · Computer Science 2025-06-09 Wei Huang , Yuan Cao , Haonan Wang , Xin Cao , Taiji Suzuki

Graph convolutional networks (GCNs) are a family of neural network models that perform inference on graph data by interleaving vertex-wise operations and message-passing exchanges across nodes. Concerning the latter, two key questions…

Machine Learning · Computer Science 2020-09-29 Indro Spinelli , Simone Scardapane , Aurelio Uncini

Graph neural networks (GNNs) have become a popular approach to integrating structural inductive biases into NLP models. However, there has been little work on interpreting them, and specifically on understanding which parts of the graphs…

Computation and Language · Computer Science 2022-10-04 Michael Sejr Schlichtkrull , Nicola De Cao , Ivan Titov