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Graph kernels are kernel methods measuring graph similarity and serve as a standard tool for graph classification. However, the use of kernel methods for node classification, which is a related problem to graph representation learning, is…

Machine Learning · Computer Science 2019-10-08 Yu Tian , Long Zhao , Xi Peng , Dimitris N. Metaxas

Deep learning on graphs and in particular, graph convolutional neural networks, have recently attracted significant attention in the machine learning community. Many of such techniques explore the analogy between the graph Laplacian…

Machine Learning · Computer Science 2018-02-07 Federico Monti , Karl Otness , Michael M. Bronstein

Graph Neural Networks (GNNs) traditionally employ a message-passing mechanism that resembles diffusion over undirected graphs, which often leads to homogenization of node features and reduced discriminative power in tasks such as node…

Machine Learning · Computer Science 2025-03-04 Seong Ho Pahng , Sahand Hormoz

We introduce a family of multilayer graph kernels and establish new links between graph convolutional neural networks and kernel methods. Our approach generalizes convolutional kernel networks to graph-structured data, by representing…

Machine Learning · Statistics 2020-06-30 Dexiong Chen , Laurent Jacob , Julien Mairal

Convolutional Neural Networks(CNNs) has achieved remarkable performance breakthrough in Euclidean structure data. Recently, aggregation-transformation based Graph Neural networks(GNNs) gradually produce a powerful performance on…

Machine Learning · Computer Science 2021-02-05 Jingzhao Hu , Xiaoqi Zhang , Qiaomei Jia , Chen Wang , Qirong Bu , Jun Feng

In view of the huge success of convolution neural networks (CNN) for image classification and object recognition, there have been attempts to generalize the method to general graph-structured data. One major direction is based on spectral…

Machine Learning · Computer Science 2020-03-09 Feng Ji , Jielong Yang , Qiang Zhang , Wee Peng Tay

Graph Neural Networks (GNNs) show strong expressive power on graph data mining, by aggregating information from neighbors and using the integrated representation in the downstream tasks. The same aggregation methods and parameters for each…

Machine Learning · Computer Science 2022-03-22 Xiaojun Ma , Qin Chen , Yuanyi Ren , Guojie Song , Liang Wang

Graph convolutional networks (GCNs) have achieved promising performance on various graph-based tasks. However they suffer from over-smoothing when stacking more layers. In this paper, we present a quantitative study on this observation and…

Machine Learning · Computer Science 2020-09-28 Hongwei Zhang , Tijin Yan , Zenjun Xie , Yuanqing Xia , Yuan Zhang

Graph Neural Networks (GNNs) are limited in their propagation operators. In many cases, these operators often contain non-negative elements only and are shared across channels, limiting the expressiveness of GNNs. Moreover, some GNNs suffer…

Machine Learning · Computer Science 2023-05-08 Moshe Eliasof , Lars Ruthotto , Eran Treister

Uncertainty quantification is essential for deploying reliable Graph Neural Networks (GNNs), where existing approaches primarily rely on Bayesian inference or ensembles. In this paper, we introduce the first credal graph neural networks…

Machine Learning · Computer Science 2025-12-03 Matteo Tolloso , Davide Bacciu

Graph Neural Networks (GNNs) have become the standard approach for learning and reasoning over relational data, leveraging the message-passing mechanism that iteratively propagates node embeddings through graph structures. While GNNs have…

Machine Learning · Computer Science 2025-01-14 Xiaoyu Li , Yingyu Liang , Zhenmei Shi , Zhao Song , Wei Wang , Jiahao Zhang

We present AnisoGNNs -- graph neural networks (GNNs) that generalize predictions of anisotropic properties of polycrystals in arbitrary testing directions without the need in excessive training data. To this end, we develop GNNs with a…

Materials Science · Physics 2024-01-30 Guangyu Hu , Marat I. Latypov

Graph Convolutional Networks (GCN) is a pioneering model for graph-based semi-supervised learning. However, GCN does not perform well on sparsely-labeled graphs. Its two-layer version cannot effectively propagate the label information to…

Machine Learning · Computer Science 2025-02-24 Wei Ye , Zexi Huang , Yunqi Hong , Ambuj Singh

Convolutional neural networks (CNNs) have achieved great success on grid-like data such as images, but face tremendous challenges in learning from more generic data such as graphs. In CNNs, the trainable local filters enable the automatic…

Machine Learning · Computer Science 2018-09-05 Hongyang Gao , Zhengyang Wang , Shuiwang Ji

Graph neural networks (GNNs) are a class of neural networks that allow to efficiently perform inference on data that is associated to a graph structure, such as, e.g., citation networks or knowledge graphs. While several variants of GNNs…

Neural and Evolutionary Computing · Computer Science 2018-02-27 Simone Scardapane , Steven Van Vaerenbergh , Danilo Comminiello , Aurelio Uncini

Graph Neural Networks (GNNs), despite achieving remarkable performance across different tasks, are theoretically bounded by the 1-Weisfeiler-Lehman test, resulting in limitations in terms of graph expressivity. Even though prior works on…

Machine Learning · Computer Science 2024-04-02 Quang Truong , Peter Chin

We propose a kinematic wave-based Deep Convolutional Neural Network (Deep CNN) to estimate high-resolution traffic speed fields from sparse probe vehicle trajectories. We introduce two key approaches that allow us to incorporate kinematic…

Machine Learning · Computer Science 2022-04-12 Bilal Thonnam Thodi , Zaid Saeed Khan , Saif Eddin Jabari , Monica Menendez

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…

Machine Learning · Computer Science 2020-12-15 Mingqi Yang , Yanming Shen , Heng Qi , Baocai Yin

Graph Convolutional Networks (GCNs) have emerged as powerful tools for learning on network structured data. Although empirically successful, GCNs exhibit certain behaviour that has no rigorous explanation -- for instance, the performance of…

Machine Learning · Computer Science 2023-11-07 Mahalakshmi Sabanayagam , Pascal Esser , Debarghya Ghoshdastidar

Many machine learning techniques have been proposed in the last few years to process data represented in graph-structured form. Graphs can be used to model several scenarios, from molecules and materials to RNA secondary structures. Several…

Machine Learning · Computer Science 2018-11-19 Nicolò Navarin , Dinh V. Tran , Alessandro Sperduti