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Graph Neural Networks (GNNs) have attracted much attention due to their ability in learning representations from graph-structured data. Despite the successful applications of GNNs in many domains, the optimization of GNNs is less well…

Machine Learning · Computer Science 2023-09-06 Langzhang Liang , Zenglin Xu , Zixing Song , Irwin King , Yuan Qi , Jieping Ye

Graph Convolutional Networks (GCNs) suffer from performance degradation when models go deeper. However, earlier works only attributed the performance degeneration to over-smoothing. In this paper, we conduct theoretical and experimental…

Machine Learning · Computer Science 2024-01-24 Weigang Lu , Yibing Zhan , Binbin Lin , Ziyu Guan , Liu Liu , Baosheng Yu , Wei Zhao , Yaming Yang , Dacheng Tao

A graph neural network (GNN) approach is introduced in this work which enables mesh-based three-dimensional super-resolution of fluid flows. In this framework, the GNN is designed to operate not on the full mesh-based field at once, but on…

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

Recent advances in Graph Neural Networks (GNNs) have revolutionized graph-structured data modeling, yet traditional GNNs struggle with complex heterogeneous structures prevalent in real-world scenarios. Despite progress in handling…

Machine Learning · Computer Science 2025-01-07 Zongwei Li , Lianghao Xia , Hua Hua , Shijie Zhang , Shuangyang Wang , Chao Huang

Graph Neural Networks (GNNs) are proficient in graph representation learning and achieve promising performance on versatile tasks such as node classification and link prediction. Usually, a comprehensive hyperparameter tuning is essential…

Machine Learning · Computer Science 2024-10-10 Lequan Lin , Dai Shi , Andi Han , Zhiyong Wang , Junbin Gao

Message passing neural networks (MPNNs) have emerged as go-to models for learning on graph-structured data in the past decade. Despite their effectiveness, most of such models still incur severe issues such as over-smoothing and…

Machine Learning · Computer Science 2025-11-26 Haoran Zheng , Renchi Yang , Yubo Zhou , Jianliang Xu

Graph Convolutional Networks (GCN) are Graph Neural Networks where the convolutions are applied over a graph. In contrast to Convolutional Neural Networks, GCN's are designed to perform inference on graphs, where the number of nodes can…

Machine Learning · Computer Science 2024-06-12 Adrian Moldovan , Angel Caţaron , Răzvan Andonie

Far from equilibrium, neural systems self-organize across multiple scales. Exploiting multiscale self-organization in neuroscience and artificial intelligence requires a computational framework for modeling the effective non-equilibrium…

Neurons and Cognition · Quantitative Biology 2025-10-09 Nathan X. Kodama

Graph neural networks (GNNs) are known to be vulnerable to oversmoothing due to their implicit homophily assumption. We mitigate this problem with a novel scheme that regulates the aggregation of messages, modulating the type and extent of…

Machine Learning · Computer Science 2025-12-03 Haishan Wang , Arno Solin , Vikas Garg

We present Graph Neural Diffusion (GRAND) that approaches deep learning on graphs as a continuous diffusion process and treats Graph Neural Networks (GNNs) as discretisations of an underlying PDE. In our model, the layer structure and…

Despite Graph neural networks' significant performance gain over many classic techniques in various graph-related downstream tasks, their successes are restricted in shallow models due to over-smoothness and the difficulties of…

Machine Learning · Computer Science 2023-12-15 Jin Li , Qirong Zhang , Shuling Xu , Xinlong Chen , Longkun Guo , Yang-Geng Fu

This paper proposes a supervised training algorithm for learning stochastic resource allocation policies with generative diffusion models (GDMs). We formulate the allocation problem as the maximization of an ergodic utility function subject…

Machine Learning · Computer Science 2025-09-23 Yigit Berkay Uslu , Samar Hadou , Shirin Saeedi Bidokhti , Alejandro Ribeiro

Hypergraphs are a generalized data structure of graphs to model higher-order correlations among entities, which have been successfully adopted into various research domains. Meanwhile, HyperGraph Neural Network (HGNN) is currently the…

Computer Vision and Pattern Recognition · Computer Science 2021-05-04 Jing Huang , Xiaolin Huang , Jie Yang

In this work, we propose to train a graph neural network via resampling from a graphon estimate obtained from the underlying network data. More specifically, the graphon or the link probability matrix of the underlying network is first…

Machine Learning · Computer Science 2021-09-07 Ziqing Hu , Yihao Fang , Lizhen Lin

Pre-propagation graph neural networks (PPGNNs) decouple node feature propagation from transformation: graph diffusion is performed once as preprocessing, and training reduces to dense per-node transformations. This design enables mini-batch…

Machine Learning · Computer Science 2026-05-26 Zichao Yue , Zhiru Zhang

In node classification tasks, graph convolutional neural networks (GCNs) have demonstrated competitive performance over traditional methods on diverse graph data. However, it is known that the performance of GCNs degrades with increasing…

Machine Learning · Computer Science 2022-11-29 Yujun Yan , Milad Hashemi , Kevin Swersky , Yaoqing Yang , Danai Koutra

Sheaf Neural Networks (SNNs) were introduced as an extension of Graph Convolutional Networks to address oversmoothing on heterophilous graphs by attaching a sheaf to the input graph and replacing the adjacency-based operator with a sheaf…

Machine Learning · Computer Science 2026-03-06 Ferran Hernandez Caralt , Mar Gonzàlez i Català , Adrián Bazaga , Pietro Liò

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…

Machine Learning · Computer Science 2020-07-21 Meng Liu , Hongyang Gao , Shuiwang Ji

There has been a growing interest in developing diffusion-based Graph Neural Networks (GNNs), building on the connections between message passing mechanisms in GNNs and physical diffusion processes. However, existing methods suffer from…

Machine Learning · Computer Science 2025-08-18 Asela Hevapathige , Asiri Wijesinghe , Ahad N. Zehmakan