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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…

机器学习 · 计算机科学 2024-03-05 Qincheng Lu , Jiaqi Zhu , Sitao Luan , Xiao-Wen Chang

Graph neural networks (GNNs) are widely used as surrogates for costly experiments and first-principles simulations to study the behavior of compounds at atomistic scale, and their architectural complexity is constantly increasing to enable…

机器学习 · 计算机科学 2026-05-04 Arindam Chowdhury , Massimiliano Lupo Pasini

Graph Neural Nets (GNNs) have received increasing attentions, partially due to their superior performance in many node and graph classification tasks. However, there is a lack of understanding on what they are learning and how sophisticated…

机器学习 · 计算机科学 2020-06-11 Ting Chen , Song Bian , Yizhou Sun

Graph neural networks (GNN) have shown outstanding applications in many fields where data is fundamentally represented as graphs (e.g., chemistry, biology, recommendation systems). In this vein, communication networks comprise many…

In conventional distributed learning over a network, multiple agents collaboratively build a common machine learning model. However, due to the underlying non-i.i.d. data distribution among agents, the unified learning model becomes…

分布式、并行与集群计算 · 计算机科学 2023-06-28 Zhuojun Tian , Zhaoyang Zhang , Zhaohui Yang , Richeng Jin , Huaiyu Dai

We present GRIP, a graph neural network accelerator architecture designed for low-latency inference. AcceleratingGNNs is challenging because they combine two distinct types of computation: arithmetic-intensive vertex-centric operations and…

硬件体系结构 · 计算机科学 2020-07-31 Kevin Kiningham , Christopher Re , Philip Levis

Spectral graph convolutional neural networks (GCNNs) have been producing encouraging results in graph classification tasks. However, most spectral GCNNs utilize fixed graphs when aggregating node features, while omitting edge feature…

计算机视觉与模式识别 · 计算机科学 2022-10-06 Yang Yi , Xuequan Lu , Shang Gao , Antonio Robles-Kelly , Yuejie Zhang

Although hypergraph neural networks (HGNNs) have emerged as a powerful framework for analyzing complex datasets, their practical performance often remains limited. On one hand, existing networks typically employ a single type of attention…

机器学习 · 计算机科学 2025-11-14 Murong Yang , Shihui Ying , Yue Gao , Xin-Jian Xu

Graph neural networks (GNNs) have achieved great success in many graph learning tasks. The main aspect powering existing GNNs is the multi-layer network architecture to learn the nonlinear graph representations for the specific learning…

机器学习 · 计算机科学 2022-02-21 Beibei Wang , Bo Jiang

Graph convolutional network (GCN) is an emerging neural network approach. It learns new representation of a node by aggregating feature vectors of all neighbors in the aggregation process without considering whether the neighbors or…

机器学习 · 计算机科学 2022-04-01 Li Zhang , Heda Song , Nikolaos Aletras , Haiping Lu

Graph neural networks (GNNs) have recently received significant attention. Learning node-wise message propagation in GNNs aims to set personalized propagation steps for different nodes in the graph. Despite the success, existing methods…

机器学习 · 计算机科学 2023-11-07 Yao Cheng , Minjie Chen , Xiang Li , Caihua Shan , Ming Gao

Graph neural networks (GNNs) have achieved great success in many scenarios with graph-structured data. However, in many real applications, there are three issues when applying GNNs: graphs are unknown, nodes have noisy features, and graphs…

机器学习 · 计算机科学 2022-10-11 Yixiang Shan , Jielong Yang , Xing Liu , Yixing Gao , Hechang Chen , Shuzhi Sam Ge

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

Graphs serve as fundamental descriptors for systems composed of interacting elements, capturing a wide array of data types, from molecular interactions to social networks and knowledge graphs. In this paper, we present an exhaustive review…

机器学习 · 计算机科学 2024-11-13 Chenqing Hua

Representation learning of graph-structured data is challenging because both graph structure and node features carry important information. Graph Neural Networks (GNNs) provide an expressive way to fuse information from network structure…

机器学习 · 计算机科学 2020-10-27 Tailin Wu , Hongyu Ren , Pan Li , Jure Leskovec

The decoupled Graph Convolutional Network (GCN), a recent development of GCN that decouples the neighborhood aggregation and feature transformation in each convolutional layer, has shown promising performance for graph representation…

机器学习 · 计算机科学 2022-11-16 Jinsong Chen , Boyu Li , Kun He

Graph neural networks (GNNs) are increasingly used to model biological systems, yet the reliability of post-hoc explanation methods for recovering meaningful molecular mechanisms remains unclear. Here, we systematically evaluate four widely…

分子网络 · 定量生物学 2026-05-22 Kyle Higgins , Ivan Laponogov , Dennis Veselkov , Kirill Veselkov

Graph Neural Networks (GNNs) are versatile, powerful machine learning methods that enable graph structure and feature representation learning, and have applications across many domains. For applications critically requiring interpretation,…

机器学习 · 计算机科学 2020-07-02 Chris Lin , Gerald J. Sun , Krishna C. Bulusu , Jonathan R. Dry , Marylens Hernandez

Graph neural networks (GNNs) aim to learn well-trained representations in a lower-dimension space for downstream tasks while preserving the topological structures. In recent years, attention mechanism, which is brilliant in the fields of…

社会与信息网络 · 计算机科学 2026-05-12 Chengcheng Sun , Chenhao Li , Xiang Lin , Tianji Zheng , Fanrong Meng , Xiaobin Rui , Zhixiao Wang

Graph neural networks (GNNs), which capture graph structures via a feature aggregation mechanism following the graph embedding framework, have demonstrated a powerful ability to support various tasks. According to the topology properties…

机器学习 · 计算机科学 2025-05-28 Meng Qin , Jiahong Liu , Irwin King