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Graph neural networks (GNN) have been ubiquitous in graph node classification tasks. Most of GNN methods update the node embedding iteratively by aggregating its neighbors' information. However, they often suffer from negative disturbance,…

机器学习 · 计算机科学 2022-02-02 Jie Chen , Shouzhen Chen , Mingyuan Bai , Jian Pu , Junping Zhang , Junbin Gao

The emerging graph Transformers have achieved impressive performance for graph representation learning over graph neural networks (GNNs). In this work, we regard the self-attention mechanism, the core module of graph Transformers, as a…

机器学习 · 计算机科学 2023-10-18 Jinsong Chen , Gaichao Li , John E. Hopcroft , Kun He

We propose Graph Tree Networks (GTNets), a deep graph learning architecture with a new general message passing scheme that originates from the tree representation of graphs. In the tree representation, messages propagate upward from the…

机器学习 · 计算机科学 2022-04-28 Nan Wu , Chaofan Wang

Graph Neural Networks (GNNs) have become the state-of-the-art method for many applications on graph structured data. GNNs are a model for graph representation learning, which aims at learning to generate low dimensional node embeddings that…

机器学习 · 计算机科学 2022-05-23 Davide Buffelli , Fabio Vandin

Graph Transformers (GTs) have shown advantages in numerous graph structure tasks but their self-attention mechanism ignores the generalization bias of graphs, with existing methods mainly compensating for this bias from aspects like…

机器学习 · 计算机科学 2025-04-29 Yonghui Zhai , Yang Zhang , Minghao Shang , Lihua Pang , Yaxin Ren

How to obtain informative representations of molecules is a crucial prerequisite in AI-driven drug design and discovery. Recent researches abstract molecules as graphs and employ Graph Neural Networks (GNNs) for molecular representation…

生物大分子 · 定量生物学 2020-10-30 Yu Rong , Yatao Bian , Tingyang Xu , Weiyang Xie , Ying Wei , Wenbing Huang , Junzhou Huang

Recent advances in Graph Convolutional Neural Networks (GCNNs) have shown their efficiency for non-Euclidean data on graphs, which often require a large amount of labeled data with high cost. It it thus critical to learn graph feature…

计算机视觉与模式识别 · 计算机科学 2020-03-20 Xiang Gao , Wei Hu , Guo-Jun Qi

Discrete-Time Dynamic Graphs (DTDGs), which are prevalent in real-world implementations and notable for their ease of data acquisition, have garnered considerable attention from both academic researchers and industry practitioners. The…

机器学习 · 计算机科学 2024-07-29 Xi Chen , Yun Xiong , Siwei Zhang , Jiawei Zhang , Yao Zhang , Shiyang Zhou , Xixi Wu , Mingyang Zhang , Tengfei Liu , Weiqiang Wang

Graph neural networks (GNNs) have attracted much attention because of their excellent performance on tasks such as node classification. However, there is inadequate understanding on how and why GNNs work, especially for node representation…

机器学习 · 计算机科学 2020-06-09 Guoji Fu , Yifan Hou , Jian Zhang , Kaili Ma , Barakeel Fanseu Kamhoua , James Cheng

While Graph Neural Network (GNN) has shown superiority in learning node representations of homogeneous graphs, leveraging GNN on heterogeneous graphs remains a challenging problem. The dominating reason is that GNN learns node…

社会与信息网络 · 计算机科学 2020-09-22 Ziyue Qiao , Pengyang Wang , Yanjie Fu , Yi Du , Pengfei Wang , Yuanchun Zhou

Multi-graph learning is crucial for extracting meaningful signals from collections of heterogeneous graphs. However, effectively integrating information across graphs with differing topologies, scales, and semantics, often in the absence of…

机器学习 · 计算机科学 2026-02-02 Zahra Moslemi , Ziyi Liang , Norbert Fortin , Babak Shahbaba

The Transformer architecture has recently gained considerable attention in the field of graph representation learning, as it naturally overcomes several limitations of Graph Neural Networks (GNNs) with customized attention mechanisms or…

机器学习 · 计算机科学 2025-04-01 Jianqing Liang , Min Chen , Jiye Liang

Graph Neural Networks (GNNs) achieve strong performance on node classification tasks but remain difficult to interpret, particularly with respect to which input features drive their predictions. Existing global GNN explainers operate at the…

机器学习 · 计算机科学 2026-05-06 Rishi Raj Sahoo , Subhankar Mishra

Graph Neural Networks (GNNs) are a powerful tool for handling structured graph data and addressing tasks such as node classification, graph classification, and clustering. However, the sparse nature of GNN computation poses new challenges…

机器学习 · 计算机科学 2023-08-24 Julia Bazinska , Andrei Ivanov , Tal Ben-Nun , Nikoli Dryden , Maciej Besta , Siyuan Shen , Torsten Hoefler

Graph Neural Networks (GNNs) are a promising deep learning approach for circumventing many real-world problems on graph-structured data. However, these models usually have at least one of four fundamental limitations: over-smoothing,…

机器学习 · 计算机科学 2022-10-03 Xun Liu , Alex Hay-Man Ng , Fangyuan Lei , Yikuan Zhang , Zhengmin Li

Graph Neural Networks (GNNs) set the state-of-the-art in representation learning for graph-structured data. They are used in many domains, from online social networks to complex molecules. Most GNNs leverage the message-passing paradigm and…

机器学习 · 计算机科学 2025-03-06 Tuğrul Hasan Karabulut , İnci M. Baytaş

Graph Neural Networks (GNNs) have attracted increasing attention in recent years and have achieved excellent performance in semi-supervised node classification tasks. The success of most GNNs relies on one fundamental assumption, i.e., the…

机器学习 · 计算机科学 2024-12-03 Junchao Lin , Yuan Wan , Jingwen Xu , Xingchen Qi

Graph neural networks (GNNs) have become a workhorse approach for learning from data defined over irregular domains, typically by implicitly assuming that the data structure is represented by a homophilic graph. However, recent works have…

机器学习 · 计算机科学 2024-09-16 Samuel Rey , Madeline Navarro , Victor M. Tenorio , Santiago Segarra , Antonio G. Marques

Graph Transformer (GT) recently has emerged as a new paradigm of graph learning algorithms, outperforming the previously popular Message Passing Neural Network (MPNN) on multiple benchmarks. Previous work (Kim et al., 2022) shows that with…

机器学习 · 计算机科学 2023-06-22 Chen Cai , Truong Son Hy , Rose Yu , Yusu Wang

Graph neural networks (GNNs) have received tremendous attention due to their power in learning effective representations for graphs. Most GNNs follow a message-passing scheme where the node representations are updated by aggregating and…

机器学习 · 计算机科学 2021-05-11 Wei Jin , Xiaorui Liu , Yao Ma , Tyler Derr , Charu Aggarwal , Jiliang Tang