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Message-passing graph neural networks (MPNNs) emerged as powerful tools for processing graph-structured input. However, they operate on a fixed input graph structure, ignoring potential noise and missing information. Furthermore, their…

Graph Neural Networks (GNNs) have shown great success in various graph-based learning tasks. However, it often faces the issue of over-smoothing as the model depth increases, which causes all node representations to converge to a single…

机器学习 · 计算机科学 2026-04-13 Xin He , Yili Wang , Wenqi Fan , Xu Shen , Xin Juan , Rui Miao , Xin Wang

Current Graph Neural Networks (GNNs) suffer from the over-smoothing problem, which results in indistinguishable node representations and low model performance with more GNN layers. Many methods have been put forward to tackle this problem…

机器学习 · 计算机科学 2022-10-25 Xinshun Feng , Herun Wan , Shangbin Feng , Hongrui Wang , Jun Zhou , Qinghua Zheng , Minnan Luo

Graph Neural networks (GNNs) have recently become a powerful technique for many graph-related tasks including graph classification. Current GNN models apply different graph pooling methods that reduce the number of nodes and edges to learn…

机器学习 · 计算机科学 2023-03-08 Muhammad Ifte Khairul Islam , Max Khanov , Esra Akbas

Graph Neural Networks (GNNs) have shown great power in various domains. However, their predictions may inherit societal biases on sensitive attributes, limiting their adoption in real-world applications. Although many efforts have been…

机器学习 · 计算机科学 2023-06-21 Huaisheng Zhu , Guoji Fu , Zhimeng Guo , Zhiwei Zhang , Teng Xiao , Suhang Wang

Graph Neural Networks (GNNs) have shown great potential in the field of graph representation learning. Standard GNNs define a local message-passing mechanism which propagates information over the whole graph domain by stacking multiple…

计算机视觉与模式识别 · 计算机科学 2023-06-01 Xiaoxin He , Bryan Hooi , Thomas Laurent , Adam Perold , Yann LeCun , Xavier Bresson

This paper studies asynchronous message passing (AMP), a new paradigm for applying neural network based learning to graphs. Existing graph neural networks use the synchronous distributed computing model and aggregate their neighbors in each…

机器学习 · 计算机科学 2022-05-25 Lukas Faber , Roger Wattenhofer

In this work, we generalize the ideas of Kaiming initialization to Graph Neural Networks (GNNs) and propose a new scheme (G-Init) that reduces oversmoothing, leading to very good results in node and graph classification tasks. GNNs are…

机器学习 · 计算机科学 2024-11-01 Dimitrios Kelesis , Dimitris Fotakis , Georgios Paliouras

Message-passing graph neural networks (MPNNs) have emerged as a powerful paradigm for graph-based machine learning. Despite their effectiveness, MPNNs face challenges such as under-reaching and over-squashing, where limited receptive fields…

机器学习 · 计算机科学 2024-12-03 Chendi Qian , Andrei Manolache , Christopher Morris , Mathias Niepert

Over-smoothing and over-squashing have been extensively studied in the literature on Graph Neural Networks (GNNs) over the past years. We challenge this prevailing focus in GNN research, arguing that these phenomena are less critical for…

机器学习 · 统计学 2026-01-13 Niklas Kormann , Benjamin Doerr , Johannes F. Lutzeyer

Graph neural networks (GNNs) have received tremendous attention due to their superiority in learning node representations. These models rely on message passing and feature transformation functions to encode the structural and feature…

机器学习 · 计算机科学 2021-12-02 Kai Guo , Kaixiong Zhou , Xia Hu , Yu Li , Yi Chang , Xin Wang

Graph neural networks have shown significant success in the field of graph representation learning. Graph convolutions perform neighborhood aggregation and represent one of the most important graph operations. Nevertheless, one layer of…

机器学习 · 计算机科学 2020-07-21 Meng Liu , Hongyang Gao , Shuiwang Ji

Graph Neural Networks (GNNs) have proven effective in various medical imaging applications, such as automated disease diagnosis. However, due to the local neighborhood aggregation paradigm in message passing which characterizes these…

机器学习 · 计算机科学 2024-11-05 K. Mancini , I. Rekik

State-of-the-art Graph Neural Networks (GNNs) have limited scalability with respect to the graph and model sizes. On large graphs, increasing the model depth often means exponential expansion of the scope (i.e., receptive field). Beyond…

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…

机器学习 · 计算机科学 2025-04-08 Joshua Southern , Francesco Di Giovanni , Michael Bronstein , Johannes F. Lutzeyer

Accurate prediction of blood-brain barrier permeability (BBBP) is essential for central nervous system (CNS) drug development. While graph neural networks (GNNs) have advanced molecular property prediction, they often rely on molecular…

机器学习 · 计算机科学 2025-12-09 Trung Nguyen , Md Masud Rana , Farjana Tasnim Mukta , Chang-Guo Zhan , Duc Duy Nguyen

Graph alignment, the problem of identifying corresponding nodes across multiple graphs, is fundamental to numerous applications. Most existing unsupervised methods embed node features into latent representations to enable cross-graph…

机器学习 · 计算机科学 2025-09-30 Maysam Behmanesh , Erkan Turan , Maks Ovsjanikov

Graph Neural Networks (GNNs) have seen significant advances in recent years, yet their application to multigraphs, where parallel edges exist between the same pair of nodes, remains under-explored. Standard GNNs, designed for simple graphs,…

机器学习 · 计算机科学 2024-12-11 H. Çağrı Bilgi , Lydia Y. Chen , Kubilay Atasu

Graph neural networks (GNNs) have been used effectively in different applications involving the processing of signals on irregular structures modeled by graphs. Relying on the use of shift-invariant graph filters, GNNs extend the operation…

机器学习 · 计算机科学 2020-03-05 Alejandro Parada-Mayorga , Luana Ruiz , Alejandro Ribeiro

Graph neural networks (GNNs) have been widely used to predict properties and heuristics of mixed-integer linear programs (MILPs) and hence accelerate MILP solvers. This paper investigates the capacity of GNNs to represent strong branching…

机器学习 · 计算机科学 2025-01-09 Ziang Chen , Jialin Liu , Xiaohan Chen , Xinshang Wang , Wotao Yin