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Graph neural networks (GNNs) are commonly described as being permutation equivariant with respect to node relabeling in the graph. This symmetry of GNNs is often compared to the translation equivariance of Euclidean convolution neural…

机器学习 · 统计学 2023-11-20 Ningyuan Huang , Ron Levie , Soledad Villar

Graph neural networks (GNNs), in general, are built on the assumption of a static set of features characterizing each node in a graph. This assumption is often violated in practice. Existing methods partly address this issue through feature…

机器学习 · 计算机科学 2023-06-07 Shubham Gupta , Sahil Manchanda , Sayan Ranu , Srikanta Bedathur

Graph pre-training has been concentrated on graph-level tasks involving small graphs (e.g., molecular graphs) or learning node representations on a fixed graph. Extending graph pre-trained models to web-scale graphs with billions of nodes…

机器学习 · 计算机科学 2025-11-07 Yufei He , Zhenyu Hou , Yukuo Cen , Jun Hu , Feng He , Xu Cheng , Jie Tang , Bryan Hooi

Graph Neural Networks (GNNs) are deep learning models that take graph data as inputs, and they are applied to various tasks such as traffic prediction and molecular property prediction. However, owing to the complexity of the GNNs, it has…

机器学习 · 计算机科学 2021-11-02 Tetsu Kasanishi , Xueting Wang , Toshihiko Yamasaki

While graph heterophily has been extensively studied in recent years, a fundamental research question largely remains nascent: How and to what extent will graph heterophily affect the prediction performance of graph neural networks (GNNs)?…

机器学习 · 计算机科学 2023-06-27 Shuaicheng Zhang , Haohui Wang , Si Zhang , Dawei Zhou

Subgraph GNNs are a recent class of expressive Graph Neural Networks (GNNs) which model graphs as collections of subgraphs. So far, the design space of possible Subgraph GNN architectures as well as their basic theoretical properties are…

机器学习 · 计算机科学 2022-10-17 Fabrizio Frasca , Beatrice Bevilacqua , Michael M. Bronstein , Haggai Maron

Graph neural networks (GNNs) have brought revolutionary advancements to the field of link prediction (LP), providing powerful tools for mining potential relationships in graphs. However, existing methods face challenges when dealing with…

机器学习 · 计算机科学 2025-12-30 Huashen Lu , Wensheng Gan , Guoting Chen , Zhichao Huang , Philip S. Yu

Transformers flexibly operate over sets of real-valued vectors representing task-specific entities and their attributes, where each vector might encode one word-piece token and its position in a sequence, or some piece of information that…

机器学习 · 计算机科学 2023-03-14 Cameron Diao , Ricky Loynd

Devising and analyzing learning models for spatiotemporal network data is of importance for tasks including forecasting, anomaly detection, and multi-agent coordination, among others. Graph Convolutional Neural Networks (GCNNs) are an…

机器学习 · 计算机科学 2022-07-01 Mohammad Sabbaqi , Elvin Isufi

Designing expressive Graph Neural Networks (GNNs) is a fundamental topic in the graph learning community. So far, GNN expressiveness has been primarily assessed via the Weisfeiler-Lehman (WL) hierarchy. However, such an expressivity measure…

机器学习 · 计算机科学 2024-01-17 Bohang Zhang , Jingchu Gai , Yiheng Du , Qiwei Ye , Di He , Liwei Wang

Edge intelligence has arisen as a promising computing paradigm for supporting miscellaneous smart applications that rely on machine learning techniques. While the community has extensively investigated multi-tier edge deployment for…

分布式、并行与集群计算 · 计算机科学 2022-11-01 Liekang Zeng , Chongyu Yang , Peng Huang , Zhi Zhou , Shuai Yu , Xu Chen

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

Deploying graph neural networks (GNNs) on whole-graph classification or regression tasks is known to be challenging: it often requires computing node features that are mindful of both local interactions in their neighbourhood and the global…

机器学习 · 计算机科学 2022-12-22 Andreea Deac , Marc Lackenby , Petar Veličković

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 studies have highlighted significant fairness issues in Graph Transformer (GT) models, particularly against subgroups defined by sensitive features. Additionally, GTs are computationally intensive and memory-demanding, limiting their…

机器学习 · 计算机科学 2025-01-03 Renqiang Luo , Huafei Huang , Ivan Lee , Chengpei Xu , Jianzhong Qi , Feng Xia

Graph Neural Networks (GNNs) have recently caught great attention and achieved significant progress in graph-level applications. In this paper, we propose a framework for graph neural networks with multiresolution Haar-like wavelets, or…

机器学习 · 计算机科学 2021-01-26 Xuebin Zheng , Bingxin Zhou , Ming Li , Yu Guang Wang , Junbin Gao

Spectral Graph Neural Networks (GNNs), alternatively known as graph filters, have gained increasing prevalence for heterophily graphs. Optimal graph filters rely on Laplacian eigendecomposition for Fourier transform. In an attempt to avert…

机器学习 · 计算机科学 2024-05-22 Keke Huang , Yu Guang Wang , Ming Li , and Pietro Liò

Graph representation learning for hypergraphs can be used to extract patterns among higher-order interactions that are critically important in many real world problems. Current approaches designed for hypergraphs, however, are unable to…

机器学习 · 计算机科学 2019-11-11 Ruochi Zhang , Yuesong Zou , Jian Ma

Graph Neural Networks (GNNs) have attracted considerable attention and have emerged as a new promising paradigm to process graph-structured data. GNNs are usually stacked to multiple layers and the node representations in each layer are…

机器学习 · 计算机科学 2020-09-25 Yihao Chen , Xin Tang , Xianbiao Qi , Chun-Guang Li , Rong Xiao

Graph neural networks (GNNs) have been predominantly driven by message-passing, where node representations are iteratively updated via local neighborhood aggregation. Despite their success, message-passing suffers from fundamental…

机器学习 · 计算机科学 2025-12-16 Zehong Wang , Zheyuan Zhang , Tianyi Ma , Chuxu Zhang , Yanfang Ye