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Graph-based semi-supervised learning (GSSL) has long been a hot research topic. Traditional methods are generally shallow learners, based on the cluster assumption. Recently, graph convolutional networks (GCNs) have become the predominant…

Machine Learning · Computer Science 2025-08-07 Zheng Wang , Hongming Ding , Li Pan , Jianhua Li , Zhiguo Gong , Philip S. Yu

Graph Neural Networks (GNNs) often struggle with heterophilic data, where connected nodes may have dissimilar labels, as they typically assume homophily and rely on local message passing. To address this, we propose creating alternative…

Machine Learning · Computer Science 2025-06-11 Victor M. Tenorio , Madeline Navarro , Samuel Rey , Santiago Segarra , Antonio G. Marques

Stars' chemical signatures provide invaluable insights into stellar cluster formation. This study utilized the Weisfeiler-Lehman (WL) Graph Kernel to examine a 15-dimensional elemental abundance space. Through simulating chemical…

Astrophysics of Galaxies · Physics 2023-06-27 Yuan-Sen Ting , Bhavesh Sharma

Learning to optimize is a rapidly growing area that aims to solve optimization problems or improve existing optimization algorithms using machine learning (ML). In particular, the graph neural network (GNN) is considered a suitable ML model…

Machine Learning · Computer Science 2023-05-29 Ziang Chen , Jialin Liu , Xinshang Wang , Jianfeng Lu , Wotao Yin

It has been shown that a message passing neural networks (MPNNs), a popular family of neural networks for graph-structured data, are at most as expressive as the first-order Weisfeiler-Leman (1-WL) graph isomorphism test, which has…

Machine Learning · Computer Science 2022-02-22 Markus Zopf

The problem of graph isomorphism is an important but challenging problem in the field of graph analysis, for example: analyzing the similarity of two chemical molecules, or studying the expressive ability of graph neural networks. WL test…

Other Computer Science · Computer Science 2024-02-14 Wanghan Xu

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

The Weisfeiler-Leman (WL) algorithm is a well-known combinatorial procedure for detecting symmetries in graphs and it is widely used in graph-isomorphism tests. It proceeds by iteratively refining a colouring of vertex tuples. The number of…

Discrete Mathematics · Computer Science 2021-07-01 Martin Grohe , Sandra Kiefer

In this paper, we presented a novel convolutional neural network framework for graph modeling, with the introduction of two new modules specially designed for graph-structured data: the $k$-th order convolution operator and the adaptive…

Machine Learning · Computer Science 2017-10-23 Zhenpeng Zhou , Xiaocheng Li

Graph neural networks (GNNs) have drawn significant research attention recently, mostly under the setting of semi-supervised learning. When task-agnostic representations are preferred or supervision is simply unavailable, the auto-encoder…

Machine Learning · Computer Science 2022-02-21 Mingyue Tang , Carl Yang , Pan Li

The lack of anisotropic kernels in graph neural networks (GNNs) strongly limits their expressiveness, contributing to well-known issues such as over-smoothing. To overcome this limitation, we propose the first globally consistent…

Machine Learning · Computer Science 2021-04-09 Dominique Beaini , Saro Passaro , Vincent Létourneau , William L. Hamilton , Gabriele Corso , Pietro Liò

Graph neural networks (GNNs) use graph convolutions to exploit network invariances and learn meaningful feature representations from network data. However, on large-scale graphs convolutions incur in high computational cost, leading to…

Machine Learning · Computer Science 2022-06-29 Juan Cervino , Luana Ruiz , Alejandro Ribeiro

Graph neural networks (GNNs) are the standard for learning on graphs, yet they have limited expressive power, often expressed in terms of the Weisfeiler-Leman (WL) hierarchy or within the framework of first-order logic. In this context,…

Machine Learning · Computer Science 2026-04-22 Amirreza Akbari , Amauri H. Souza , Vikas Garg

Graph convolutional neural networks (GCN) have been the model of choice for graph representation learning, which is mainly due to the effective design of graph convolution that computes the representation of a node by aggregating those of…

Machine Learning · Computer Science 2021-06-10 Qimai Li , Xiaotong Zhang , Han Liu , Quanyu Dai , Xiao-Ming Wu

Graph convolutional neural networks (GCNN) have numerous applications in different graph based learning tasks. Although the techniques obtain impressive results, they often fall short in accounting for the uncertainty associated with the…

Machine Learning · Computer Science 2019-11-13 Soumyasundar Pal , Florence Regol , Mark Coates

Aligning users across networks using graph representation learning has been found effective where the alignment is accomplished in a low-dimensional embedding space. Yet, achieving highly precise alignment is still challenging, especially…

Social and Information Networks · Computer Science 2023-01-02 Li Liu , Penggang Chen , Xin Li , William K. Cheung , Youmin Zhang , Qun Liu , Guoyin Wang

It is a usual practice to ignore any structural information underlying classes in multi-class classification. In this paper, we propose a graph convolutional network (GCN) augmented neural network classifier to exploit a known, underlying…

Machine Learning · Computer Science 2018-02-23 Meihao Chen , Zhuoru Lin , Kyunghyun Cho

Learning representations of sets of nodes in a graph is crucial for applications ranging from node-role discovery to link prediction and molecule classification. Graph Neural Networks (GNNs) have achieved great success in graph…

Machine Learning · Computer Science 2020-10-30 Pan Li , Yanbang Wang , Hongwei Wang , Jure Leskovec

Graph Convolutional Networks (GCNs) are one of the most popular architectures that are used to solve classification problems accompanied by graphical information. We present a rigorous theoretical understanding of the effects of graph…

Machine Learning · Computer Science 2022-08-03 Aseem Baranwal , Kimon Fountoulakis , Aukosh Jagannath

Graph Neural Networks (GNNs) achieve state-of-the-art performance on graph-structured data across numerous domains. Their underlying ability to represent nodes as summaries of their vicinities has proven effective for homophilous graphs in…

Machine Learning · Computer Science 2022-12-27 Andrea Cavallo , Claas Grohnfeldt , Michele Russo , Giulio Lovisotto , Luca Vassio