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Graph neural networks (GNNs) are a powerful architecture for tackling graph learning tasks, yet have been shown to be oblivious to eminent substructures such as cycles. We present TOGL, a novel layer that incorporates global topological…

机器学习 · 计算机科学 2022-03-18 Max Horn , Edward De Brouwer , Michael Moor , Yves Moreau , Bastian Rieck , Karsten Borgwardt

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

Graph Neural Networks (GNNs) are the subject of intense focus by the machine learning community for problems involving relational reasoning. GNNs can be broadly divided into spatial and spectral approaches. Spatial approaches use a form of…

机器学习 · 统计学 2021-01-05 Kimberly Stachenfeld , Jonathan Godwin , Peter Battaglia

Node classification is a classical graph machine learning task on which Graph Neural Networks (GNNs) have recently achieved strong results. However, it is often believed that standard GNNs only work well for homophilous graphs, i.e., graphs…

机器学习 · 计算机科学 2024-03-05 Oleg Platonov , Denis Kuznedelev , Michael Diskin , Artem Babenko , Liudmila Prokhorenkova

Recently, machine learning, particularly message-passing graph neural networks (MPNNs), has gained traction in enhancing exact optimization algorithms. For example, MPNNs speed up solving mixed-integer optimization problems by imitating…

机器学习 · 计算机科学 2023-10-17 Chendi Qian , Didier Chételat , Christopher Morris

Graph Neural Networks (GNNs) have become pivotal tools for a range of graph-based learning tasks. Notably, most current GNN architectures operate under the assumption of homophily, whether explicitly or implicitly. While this underlying…

机器学习 · 计算机科学 2024-06-19 Kun Wang , Guibin Zhang , Xinnan Zhang , Junfeng Fang , Xun Wu , Guohao Li , Shirui Pan , Wei Huang , Yuxuan Liang

Message Passing Neural Networks (MPNNs) have demonstrated remarkable success in node classification on homophilic graphs. It has been shown that they do not solely rely on homophily but on neighborhood distributions of nodes, i.e.,…

机器学习 · 计算机科学 2024-12-12 Matthias Kohn , Marcel Hoffmann , Ansgar Scherp

Graph Neural Networks (GNNs) are efficient approaches to process graph-structured data. Modelling long-distance node relations is essential for GNN training and applications. However, conventional GNNs suffer from bad performance in…

机器学习 · 计算机科学 2020-05-19 Deli Chen , Xiaoqian Liu , Yankai Lin , Peng Li , Jie Zhou , Qi Su , Xu Sun

Graph neural networks for heterogeneous graph embedding is to project nodes into a low-dimensional space by exploring the heterogeneity and semantics of the heterogeneous graph. However, on the one hand, most of existing heterogeneous graph…

机器学习 · 计算机科学 2022-12-01 Zezhi Shao , Yongjun Xu , Wei Wei , Fei Wang , Zhao Zhang , Feida Zhu

Heterogeneous Graph Neural Networks (HGNNs) have gained significant popularity in various heterogeneous graph learning tasks. However, most existing HGNNs rely on spatial domain-based methods to aggregate information, i.e., manually…

机器学习 · 计算机科学 2024-05-08 Mingguo He , Zhewei Wei , Shikun Feng , Zhengjie Huang , Weibin Li , Yu Sun , Dianhai Yu

We bridge two research directions on graph neural networks (GNNs), by formalizing the relation between heterophily of node labels (i.e., connected nodes tend to have dissimilar labels) and the robustness of GNNs to adversarial attacks. Our…

机器学习 · 计算机科学 2022-07-26 Jiong Zhu , Junchen Jin , Donald Loveland , Michael T. Schaub , Danai Koutra

Graph neural networks (GNNs) have shown promising results across various graph learning tasks, but they often assume homophily, which can result in poor performance on heterophilic graphs. The connected nodes are likely to be from different…

机器学习 · 计算机科学 2023-05-31 Kai Zhao , Qiyu Kang , Yang Song , Rui She , Sijie Wang , Wee Peng Tay

Mining Electronic Health Records (EHRs) becomes a promising topic because of the rich information they contain. By learning from EHRs, machine learning models can be built to help human experts to make medical decisions and thus improve…

机器学习 · 计算机科学 2021-01-19 Zheng Liu , Xiaohan Li , Hao Peng , Lifang He , Philip S. Yu

In recent years, graph neural networks (GNNs) have gained significant attention for node classification tasks on graph-structured data. However, traditional GNNs primarily focus on adjacency relationships between nodes, often overlooking…

机器学习 · 计算机科学 2025-11-17 A. Quadir , M. Tanveer

Graph Neural Networks (GNNs) are recently proposed neural network structures for the processing of graph-structured data. Due to their employed neighbor aggregation strategy, existing GNNs focus on capturing node-level information and…

机器学习 · 计算机科学 2022-01-05 Xing Ai , Chengyu Sun , Zhihong Zhang , Edwin R Hancock

Message-Passing Neural Networks (MPNNs) are extensively employed in graph learning tasks but suffer from limitations such as the restricted scope of information exchange, by being confined to neighboring nodes during each round of message…

机器学习 · 计算机科学 2024-08-30 Carlos Vonessen , Florian Grötschla , Roger Wattenhofer

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

Graphs with heterophily have been regarded as challenging scenarios for Graph Neural Networks (GNNs), where nodes are connected with dissimilar neighbors through various patterns. In this paper, we present theoretical understandings of the…

机器学习 · 计算机科学 2024-06-05 Junfu Wang , Yuanfang Guo , Liang Yang , Yunhong Wang

Graph neural networks (GNNs) are a popular class of parametric model for learning over graph-structured data. Recent work has argued that GNNs primarily use the graph for feature smoothing, and have shown competitive results on benchmark…

机器学习 · 计算机科学 2020-11-20 Lingfan Yu , Jiajun Shen , Jinyang Li , Adam Lerer

Heterogeneous graph neural network (HGNN) is a very popular technique for the modeling and analysis of heterogeneous graphs. Most existing HGNN-based approaches are supervised or semi-supervised learning methods requiring graphs to be…

机器学习 · 计算机科学 2023-11-17 Cuiying Huo , Dongxiao He , Yawen Li , Di Jin , Jianwu Dang , Weixiong Zhang , Witold Pedrycz , Lingfei Wu