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Graph Convolutional Network (GCN) with the powerful capacity to explore graph-structural data has gained noticeable success in recent years. Nonetheless, most of the existing GCN-based models suffer from the notorious over-smoothing issue,…

机器学习 · 计算机科学 2023-04-17 Zhaoliang Chen , Zhihao Wu , Zhenghong Lin , Shiping Wang , Claudia Plant , Wenzhong Guo

Recent works have demonstrated the benefits of capturing long-distance dependency in graphs by deeper graph neural networks (GNNs). But deeper GNNs suffer from the long-lasting scalability challenge due to the neighborhood explosion problem…

机器学习 · 计算机科学 2023-06-02 Rui Xue , Haoyu Han , MohamadAli Torkamani , Jian Pei , Xiaorui Liu

Node representation learning by using Graph Neural Networks (GNNs) has been widely explored. However, in recent years, compelling evidence has revealed that GNN-based node representation learning can be substantially deteriorated by…

机器学习 · 计算机科学 2023-12-19 Jun Zhuang , Mohammad Al Hasan

Simulating complex dynamics like fluids with traditional simulators is computationally challenging. Deep learning models have been proposed as an efficient alternative, extending or replacing parts of traditional simulators. We investigate…

机器学习 · 计算机科学 2022-03-16 Jonathan Klimesch , Philipp Holl , Nils Thuerey

Recently, implicit graph neural networks (GNNs) have been proposed to capture long-range dependencies in underlying graphs. In this paper, we introduce and justify two weaknesses of implicit GNNs: the constrained expressiveness due to their…

机器学习 · 计算机科学 2022-10-18 Juncheng Liu , Bryan Hooi , Kenji Kawaguchi , Xiaokui Xiao

Graph Neural Networks (GNNs) are increasingly important given their popularity and the diversity of applications. Yet, existing studies of their vulnerability to adversarial attacks rely on relatively small graphs. We address this gap and…

Diffusion models have gained popularity in graph generation tasks; however, the extent of their expressivity concerning the graph distributions they can learn is not fully understood. Unlike models in other domains, popular backbones for…

机器学习 · 计算机科学 2025-02-05 Xiyuan Wang , Yewei Liu , Lexi Pang , Siwei Chen , Muhan Zhang

This paper presents a novel graph-based deep learning model for tasks involving relations between two nodes (edge-centric tasks), where the focus lies on predicting relationships and interactions between pairs of nodes rather than node…

机器学习 · 计算机科学 2025-07-08 Eugenio Borzone , Leandro Di Persia , Matias Gerard

Lots of learning tasks require dealing with graph data which contains rich relation information among elements. Modeling physics systems, learning molecular fingerprints, predicting protein interface, and classifying diseases demand a model…

机器学习 · 计算机科学 2021-10-07 Jie Zhou , Ganqu Cui , Shengding Hu , Zhengyan Zhang , Cheng Yang , Zhiyuan Liu , Lifeng Wang , Changcheng Li , Maosong Sun

Numerous recent research on graph neural networks (GNNs) has focused on formulating GNN architectures as an optimization problem with the smoothness assumption. However, in node classification tasks, the smoothing effect induced by GNNs…

机器学习 · 计算机科学 2023-09-14 Jiayu Zhai , Lequan Lin , Dai Shi , Junbin Gao

Graph neural networks (GNNs) have emerged as powerful tools for learning protein structures by capturing spatial relationships at the residue level. However, existing GNN-based methods often face challenges in learning multiscale…

机器学习 · 计算机科学 2026-02-03 Shih-Hsin Wang , Yuhao Huang , Taos Transue , Justin Baker , Jonathan Forstater , Thomas Strohmer , Bao Wang

Graph Neural Networks (GNNs) have received considerable attention since its introduction. It has been widely applied in various fields due to its ability to represent graph structured data. However, the application of GNNs is constrained by…

神经元与认知 · 定量生物学 2023-09-20 Yihan Wu , Tao Chang , Peng Xu , Yangsong Zhang

Graph neural network (GNN) is effective to model graphs for distributed representations of nodes and an entire graph. Recently, research on the expressive power of GNN attracted growing attention. A highly-expressive GNN has the ability to…

机器学习 · 计算机科学 2022-03-01 Chengsheng Mao , Yuan Luo

Real data collected from different applications that have additional topological structures and connection information are amenable to be represented as a weighted graph. Considering the node labeling problem, Graph Neural Networks (GNNs)…

社会与信息网络 · 计算机科学 2020-02-06 Xiaoxiao Li , Joao Saude

Modern neuroimaging techniques, such as diffusion tensor imaging (DTI) and functional magnetic resonance imaging (fMRI), enable us to model the human brain as a brain network or connectome. Capturing brain networks' structural information…

Graph Neural Networks (GNNs) have made significant advances on several fundamental inference tasks. As a result, there is a surge of interest in using these models for making potentially important decisions in high-regret applications.…

机器学习 · 计算机科学 2020-02-26 Kaidi Xu , Sijia Liu , Pin-Yu Chen , Mengshu Sun , Caiwen Ding , Bhavya Kailkhura , Xue Lin

Graph Neural Networks (GNNs) have emerged as powerful tools for supervised machine learning over graph-structured data, while sampling-based node representation learning is widely utilized in unsupervised learning. However, scalability…

机器学习 · 计算机科学 2024-07-23 Vipul Gupta , Xin Chen , Ruoyun Huang , Fanlong Meng , Jianjun Chen , Yujun Yan

Graph Neural Networks (GNNs) have achieved great success in various graph mining tasks.However, drastic performance degradation is always observed when a GNN is stacked with many layers. As a result, most GNNs only have shallow…

机器学习 · 计算机科学 2022-06-10 Wentao Zhang , Zeang Sheng , Ziqi Yin , Yuezihan Jiang , Yikuan Xia , Jun Gao , Zhi Yang , Bin Cui

Recommendation models utilizing Graph Convolutional Networks (GCNs) have achieved state-of-the-art performance, as they can integrate both the node information and the topological structure of the user-item interaction graph. However, these…

信息检索 · 计算机科学 2022-11-28 Xin Zhou , Donghui Lin , Yong Liu , Chunyan Miao

The recent introduction of Graph Neural Networks (GNNs) and their growing popularity in the past few years has enabled the application of deep learning algorithms to non-Euclidean, graph-structured data. GNNs have achieved state-of-the-art…

机器学习 · 计算机科学 2020-10-27 Tuomas P. Oikarinen , Daniel C. Hannah , Sohrob Kazerounian
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