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Graph learning methods have been extensively applied in diverse application areas. However, what kind of inherent graph properties e.g. graph proximity, graph structural information has been encoded into graph representation learning for…

机器学习 · 计算机科学 2024-08-08 Mingyu Zhao , Xingyu Huang , Ziyu Lyu , Yanlin Wang , Lixin Cui , Lu Bai

Graph data, with its structurally variable nature, represents complex real-world phenomena like chemical compounds, protein structures, and social networks. Traditional Graph Neural Networks (GNNs) primarily utilize the message-passing…

机器学习 · 计算机科学 2025-02-05 Jianming Huang , Hiroyuki Kasai

In recent years, Graph Neural Network (GNN) has bloomly progressed for its power in processing graph-based data. Most GNNs follow a message passing scheme, and their expressive power is mathematically limited by the discriminative ability…

机器学习 · 计算机科学 2021-04-06 Alan J. X. Guo , Qing-Hu Hou , Ou Wu

Most existing graph neural networks (GNNs) learn node embeddings using the framework of message passing and aggregation. Such GNNs are incapable of learning relative positions between graph nodes within a graph. To empower GNNs with the…

机器学习 · 计算机科学 2024-11-05 Zhenyue Qin , Yiqun Zhang Saeed Anwar , Dongwoo Kim , Yang Liu , Pan Ji , Tom Gedeon

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 a widely used class of machine learning models for graph-structured data, based on local aggregation over neighbors. GNNs have close connections to logic. In particular, their expressive power is linked to…

计算机科学中的逻辑 · 计算机科学 2026-01-30 Arie Soeteman , Michael Benedikt , Martin Grohe , Balder ten Cate

Message passing Graph Neural Networks (GNNs) are known to be limited in expressive power by the 1-WL color-refinement test for graph isomorphism. Other more expressive models either are computationally expensive or need preprocessing to…

机器学习 · 计算机科学 2024-02-01 Mohammed Haroon Dupty , Yanfei Dong , Wee Sun Lee

Recently, the Weisfeiler-Lehman (WL) graph isomorphism test was used to measure the expressiveness of graph neural networks (GNNs), showing that the neighborhood aggregation GNNs were at most as powerful as 1-WL test in distinguishing graph…

机器学习 · 计算机科学 2020-12-15 Mingqi Yang , Yanming Shen , Heng Qi , Baocai Yin

Graph neural networks (GNNs) are among the most powerful tools in deep learning. They routinely solve complex problems on unstructured networks, such as node classification, graph classification, or link prediction, with high accuracy.…

机器学习 · 计算机科学 2023-08-21 Maciej Besta , Torsten Hoefler

Graph Neural Networks (GNNs) excel in handling graph-structured data but often underperform in link prediction tasks compared to classical methods, mainly due to the limitations of the commonly used message-passing principle. Notably, their…

机器学习 · 计算机科学 2025-02-18 Niloofar Azizi , Nils Kriege , Horst Bischof

Graph Neural Networks (GNNs) have been widely applied in the semi-supervised node classification task, where a key point lies in how to sufficiently leverage the limited but valuable label information. Most of the classical GNNs solely use…

机器学习 · 计算机科学 2022-12-26 Le Yu , Leilei Sun , Bowen Du , Tongyu Zhu , Weifeng Lv

Networks are ubiquitous in the real world. Link prediction, as one of the key problems for network-structured data, aims to predict whether there exists a link between two nodes. The traditional approaches are based on the explicit…

机器学习 · 计算机科学 2021-06-01 Wei Wu , Bin Li , Chuan Luo , Wolfgang Nejdl

Graph neural networks (GNNs) have shown great success in learning from graph-based data. The key mechanism of current GNNs is message passing, where a node's feature is updated based on the information passing from its local neighbourhood.…

机器学习 · 计算机科学 2024-05-09 Yongze Wang , Haimin Zhang , Qiang Wu , Min Xu

The objective of unsupervised graph representation learning (GRL) is to learn a low-dimensional space of node embeddings that reflect the structure of a given unlabeled graph. Existing algorithms for this task rely on negative sampling…

机器学习 · 计算机科学 2021-01-22 M. Maruf , Anuj Karpatne

Graph Neural Networks (GNNs) have become essential tools for graph representation learning in various domains, such as social media and healthcare. However, they often suffer from fairness issues due to inherent biases in node attributes…

机器学习 · 计算机科学 2025-01-08 Yeon-Chang Lee , Hojung Shin , Sang-Wook Kim

Graph Neural Networks (GNNs) have emerged as powerful tools for learning representations of graph-structured data, demonstrating remarkable performance across various tasks. Recognising their importance, there has been extensive research…

机器学习 · 计算机科学 2025-01-06 Akshit Sinha , Sreeram Vennam , Charu Sharma , Ponnurangam Kumaraguru

Graph Neural Networks (GNNs) extend the success of neural networks to graph-structured data by accounting for their intrinsic geometry. While extensive research has been done on developing GNN models with superior performance according to a…

Graph Neural Networks (GNNs) are effective for node classification in graph-structured data, but they lack explainability, especially at the global level. Current research mainly utilizes subgraphs of the input as local explanations or…

人工智能 · 计算机科学 2024-05-22 Dominik Köhler , Stefan Heindorf

Graph Neural Networks (GNNs) are a broad class of connectionist models for graph processing. Recent studies have shown that GNNs can approximate any function on graphs, modulo the equivalence relation on graphs defined by the…

机器学习 · 计算机科学 2024-08-21 Giuseppe Alessio D'Inverno , Monica Bianchini , Maria Lucia Sampoli , Franco Scarselli

We consider graph representation learning in a self-supervised manner. Graph neural networks (GNNs) use neighborhood aggregation as a core component that results in feature smoothing among nodes in proximity. While successful in various…

机器学习 · 计算机科学 2021-07-20 Wei Zhuo , Guang Tan