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Over-smoothing in Graph Neural Networks (GNNs) causes collapse in distinct node features, particularly on heterophilic graphs where adjacent nodes often have dissimilar labels. Although sheaf neural networks partially mitigate this problem,…

Machine Learning · Computer Science 2025-11-11 Yoonhyuk Choi , Jiho Choi , Chong-Kwon Kim

The ubiquity of large-scale graphs in node-classification tasks significantly hinders the real-world applications of Graph Neural Networks (GNNs). Node sampling, graph coarsening, and dataset condensation are effective strategies for…

Machine Learning · Computer Science 2024-05-28 Mucong Ding , Yinhan He , Jundong Li , Furong Huang

Graph Neural Networks (GNNs) is an architecture for structural data, and has been adopted in a mass of tasks and achieved fabulous results, such as link prediction, node classification, graph classification and so on. Generally, for a…

Machine Learning · Computer Science 2022-05-12 Ye Tang , Xuesong Yang , Xinrui Liu , Xiwei Zhao , Zhangang Lin , Changping Peng

The burgeoning volume of graph data presents significant computational challenges in training graph neural networks (GNNs), critically impeding their efficiency in various applications. To tackle this challenge, graph condensation (GC) has…

Machine Learning · Computer Science 2024-06-13 Xinyi Gao , Tong Chen , Wentao Zhang , Yayong Li , Xiangguo Sun , Hongzhi Yin

Recently, graph-based models designed for downstream tasks have significantly advanced research on graph neural networks (GNNs). GNN baselines based on neural message-passing mechanisms such as GCN and GAT perform worse as the network…

Machine Learning · Computer Science 2023-01-26 Jiayuan Chen , Xiang Zhang , Yinfei Xu , Tianli Zhao , Renjie Xie , Wei Xu

Graph Neural Networks have emerged as a useful tool to learn on the data by applying additional constraints based on the graph structure. These graphs are often created with assumed intrinsic relations between the entities. In recent years,…

Machine Learning · Statistics 2021-05-18 Sunil Kumar Maurya , Xin Liu , Tsuyoshi Murata

Graph Neural Networks (GNNs) have achieved remarkable success across various domains. However, recent theoretical advances have identified fundamental limitations in their information propagation capabilities, such as over-squashing, where…

Machine Learning · Computer Science 2025-11-04 Ivan Marisca , Jacob Bamberger , Cesare Alippi , Michael M. Bronstein

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…

Graph neural networks (GNNs) have emerged as a powerful tool to process graph-based data in fields like communication networks, molecular interactions, chemistry, social networks, and neuroscience. GNNs are characterized by the ultra-sparse…

Hardware Architecture · Computer Science 2023-07-14 Nanda K. Unnikrishnan , Joe Gould , Keshab K. Parhi

Graph neural network (GNN) potentials such as SchNet improve the accuracy and transferability of molecular dynamics (MD) simulation by learning many-body interactions, but remain slower than classical force fields due to fragmented kernels…

Machine Learning · Computer Science 2026-02-16 Pingzhi Li , Hongxuan Li , Zirui Liu , Xingcheng Lin , Tianlong Chen

Graph Neural Networks (GNNs) are a predominant method for graph representation learning. However, beyond subgraph frequency estimation, their application to network motif significance-profile (SP) prediction remains under-explored, with no…

Machine Learning · Computer Science 2025-07-11 Pedro C. Vieira , Miguel E. P. Silva , Pedro Manuel Pinto Ribeiro

Training Graph Neural Networks (GNNs) on large graphs is challenging due to the conflict between the high memory demand and limited GPU memory. Recently, distributed full-graph GNN training has been widely adopted to tackle this problem.…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-03-03 Meng Zhang , Qinghao Hu , Peng Sun , Yonggang Wen , Tianwei Zhang

Graph Neural Networks (GNNs) are key tools for graph representation learning, demonstrating strong results across diverse prediction tasks. In this paper, we present Convexified Message-Passing Graph Neural Networks (CGNNs), a novel and…

Machine Learning · Computer Science 2026-01-27 Saar Cohen , Noa Agmon , Uri Shaham

Graph Convolutional Networks (GCNs) have recently become the primary choice for learning from graph-structured data, superseding hash fingerprints in representing chemical compounds. However, GCNs lack the ability to take into account the…

Machine Learning · Computer Science 2020-07-03 Tomasz Danel , Przemysław Spurek , Jacek Tabor , Marek Śmieja , Łukasz Struski , Agnieszka Słowik , Łukasz Maziarka

Graph convolutional neural networks have recently shown great potential for the task of zero-shot learning. These models are highly sample efficient as related concepts in the graph structure share statistical strength allowing…

Computer Vision and Pattern Recognition · Computer Science 2019-03-28 Michael Kampffmeyer , Yinbo Chen , Xiaodan Liang , Hao Wang , Yujia Zhang , Eric P. Xing

Convolutional neural network (CNN) architectures utilize downsampling layers, which restrict the subsequent layers to learn spatially invariant features while reducing computational costs. However, such a downsampling operation makes it…

Computer Vision and Pattern Recognition · Computer Science 2018-04-02 Akito Takeki , Daiki Ikami , Go Irie , Kiyoharu Aizawa

Spiking neural networks (SNNs), regarded as the third generation of artificial neural networks, are expected to bridge the gap between artificial intelligence and computational neuroscience. However, most mainstream SNN research directly…

Neural and Evolutionary Computing · Computer Science 2025-12-15 Yongsheng Huang , Peibo Duan , Yujie Wu , Kai Sun , Zhipeng Liu , Changsheng Zhang , Bin Zhang , Mingkun Xu

Graph Neural Networks (GNNs) have demonstrated impressive capabilities in modeling graph-structured data, while Spiking Neural Networks (SNNs) offer high energy efficiency through sparse, event-driven computation. However, existing spiking…

Neural and Evolutionary Computing · Computer Science 2025-08-26 Bowen Zhang , Genan Dai , Hu Huang , Long Lan

Graph data, with its structurally variable nature, represents complex real-world phenomena like chemical compounds, protein structures, and social networks. Traditional Graph Neural Networks (GNNs) primarily utilize the message-passing…

Machine Learning · Computer Science 2025-02-05 Jianming Huang , Hiroyuki Kasai

Graph condensation, which reduces the size of a large-scale graph by synthesizing a small-scale condensed graph as its substitution, has immediate benefits for various graph learning tasks. However, existing graph condensation methods rely…

Machine Learning · Computer Science 2023-10-24 Xin Zheng , Miao Zhang , Chunyang Chen , Quoc Viet Hung Nguyen , Xingquan Zhu , Shirui Pan