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Graph Neural Networks (GNNs) have emerged as prominent models for representation learning on graph structured data. GNNs follow an approach of message passing analogous to 1-dimensional Weisfeiler Lehman (1-WL) test for graph isomorphism…

机器学习 · 计算机科学 2022-03-18 Mohammed Haroon Dupty , Wee Sun Lee

While Graph Neural Networks (GNNs) are powerful models for learning representations on graphs, most state-of-the-art models do not have significant accuracy gain beyond two to three layers. Deep GNNs fundamentally need to address: 1).…

Handling missing node features is a key challenge for deploying Graph Neural Networks (GNNs) in real-world domains such as healthcare and sensor networks. Existing studies mostly address relatively benign scenarios, namely benchmark…

Recently a variety of methods have been developed to encode graphs into low-dimensional vectors that can be easily exploited by machine learning algorithms. The majority of these methods start by embedding the graph nodes into a…

机器学习 · 计算机科学 2018-09-13 Yu Jin , Joseph F. JaJa

Graphs neural networks (GNNs) learn node features by aggregating and combining neighbor information, which have achieved promising performance on many graph tasks. However, GNNs are mostly treated as black-boxes and lack human intelligible…

机器学习 · 计算机科学 2020-06-05 Hao Yuan , Jiliang Tang , Xia Hu , Shuiwang Ji

Graph processes exhibit a temporal structure determined by the sequence index and and a spatial structure determined by the graph support. To learn from graph processes, an information processing architecture must then be able to exploit…

信号处理 · 电气工程与系统科学 2020-12-02 Luana Ruiz , Fernando Gama , Alejandro Ribeiro

Distance measures between graphs are important primitives for a variety of learning tasks. In this work, we describe an unsupervised, optimal transport based approach to define a distance between graphs. Our idea is to derive…

计算工程、金融与科学 · 计算机科学 2024-04-11 Michael Scholkemper , Damin Kühn , Gerion Nabbefeld , Simon Musall , Björn Kampa , Michael T. Schaub

Node features bolster graph-based learning when exploited jointly with network structure. However, a lack of nodal attributes is prevalent in graph data. We present a framework to recover completely missing node features for a set of…

机器学习 · 计算机科学 2023-09-19 Victor M. Tenorio , Madeline Navarro , Santiago Segarra , Antonio G. Marques

Graphs are a fundamental representation of complex, nonlinear structured data across various domains, including social networks and quantum systems. Quantum Graph Recurrent Neural Networks (QGRNNs) have been proposed to model quantum…

量子物理 · 物理学 2025-07-01 Jawaher Kaldari , Saif Al-Kuwari

Graph prediction problems prevail in data analysis and machine learning. The inverse prediction problem, namely to infer input data from given output labels, is of emerging interest in various applications. In this work, we develop…

机器学习 · 统计学 2022-11-22 Chen Xu , Xiuyuan Cheng , Yao Xie

Graph neural networks (GNNs), which learn the representation of a node by aggregating its neighbors, have become an effective computational tool in downstream applications. Over-smoothing is one of the key issues which limit the performance…

机器学习 · 计算机科学 2020-06-15 Kaixiong Zhou , Xiao Huang , Yuening Li , Daochen Zha , Rui Chen , Xia Hu

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

Despite recent advances in representation learning in hypercomplex (HC) space, this subject is still vastly unexplored in the context of graphs. Motivated by the complex and quaternion algebras, which have been found in several contexts to…

机器学习 · 计算机科学 2022-02-22 Tuan Le , Marco Bertolini , Frank Noé , Djork-Arné Clevert

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

Node representation learning by using Graph Neural Networks (GNNs) has been widely explored. However, in recent years, compelling evidence has revealed that GNN-based node representation learning can be substantially deteriorated by…

机器学习 · 计算机科学 2023-12-19 Jun Zhuang , Mohammad Al Hasan

Graph Neural Networks (GNNs) are prominent in handling sparse and unstructured data efficiently and effectively. Specifically, GNNs were shown to be highly effective for node classification tasks, where labelled information is available for…

机器学习 · 计算机科学 2022-12-01 Moshe Eliasof , Eldad Haber , Eran Treister

Graph convolutional neural networks~(GCNs) have recently demonstrated promising results on graph-based semi-supervised classification, but little work has been done to explore their theoretical properties. Recently, several deep neural…

机器学习 · 计算机科学 2020-02-28 Jilin Hu , Jianbing Shen , Bin Yang , Ling Shao

Graph neural networks (GNNs) are composed of layers consisting of graph convolutions and pointwise nonlinearities. Due to their invariance and stability properties, GNNs are provably successful at learning representations from data…

机器学习 · 计算机科学 2023-08-09 Luana Ruiz , Luiz F. O. Chamon , Alejandro Ribeiro

Graph Neural Networks (GNNs) have gained popularity in various learning tasks, with successful applications in fields like molecular biology, transportation systems, and electrical grids. These fields naturally use graph data, benefiting…

机器学习 · 计算机科学 2024-09-23 Caio F. Deberaldini Netto , Zhiyang Wang , Luana Ruiz

Graph Neural Networks (GNNs) have emerged as a dominant approach in graph representation learning, yet they often struggle to capture consistent similarity relationships among graphs. While graph kernel methods such as the Weisfeiler-Lehman…

机器学习 · 计算机科学 2024-12-12 Xuyuan Liu , Yinghao Cai , Qihui Yang , Yujun Yan