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Graph Neural Networks (GNNs) face fundamental limitations in expressivity and capturing structural heterogeneity. Standard message-passing architectures are constrained by the 1-dimensional Weisfeiler-Leman (1-WL) test, unable to…

机器学习 · 计算机科学 2026-05-19 Asela Hevapathige , Ahad N. Zehmakan , Asiri Wijesinghe , Saman Halgamuge

Message passing neural networks (MPNNs) learn the representation of graph-structured data based on graph original information, including node features and graph structures, and have shown astonishing improvement in node classification…

机器学习 · 计算机科学 2023-01-30 Xiao Liu , Lijun Zhang , Hui Guan

Graph kernels based on the $1$-dimensional Weisfeiler-Leman algorithm and corresponding neural architectures recently emerged as powerful tools for (supervised) learning with graphs. However, due to the purely local nature of the…

数据结构与算法 · 计算机科学 2020-10-20 Christopher Morris , Gaurav Rattan , Petra Mutzel

Graph Neural Networks (GNNs) have become essential in high-stakes domains such as drug discovery, yet their black-box nature remains a significant barrier to trustworthiness. While self-explainable GNNs attempt to bridge this gap, they…

机器学习 · 计算机科学 2026-02-25 Chuqin Geng , Li Zhang , Haolin Ye , Ziyu Zhao , Yuhe Jiang , Tara Saba , Xinyu Wang , Xujie Si

We present Graph Random Neural Features (GRNF), a novel embedding method from graph-structured data to real vectors based on a family of graph neural networks. The embedding naturally deals with graph isomorphism and preserves the metric…

机器学习 · 计算机科学 2020-06-03 Daniele Zambon , Cesare Alippi , Lorenzo Livi

We study the approximation power of Graph Neural Networks (GNNs) on latent position random graphs. In the large graph limit, GNNs are known to converge to certain "continuous" models known as c-GNNs, which directly enables a study of their…

机器学习 · 统计学 2021-06-01 Nicolas Keriven , Alberto Bietti , Samuel Vaiter

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,…

机器学习 · 计算机科学 2026-04-22 Amirreza Akbari , Amauri H. Souza , Vikas Garg

Graph neural networks (GNNs) have emerged as the standard method for numerous tasks on graph-structured data such as node classification. However, real-world graphs are often evolving over time and even new classes may arise. We model these…

机器学习 · 计算机科学 2021-12-21 Lukas Galke , Benedikt Franke , Tobias Zielke , Ansgar Scherp

Graph neural network (GNN) has shown superior performance in dealing with graphs, which has attracted considerable research attention recently. However, most of the existing GNN models are primarily designed for graphs in Euclidean spaces.…

机器学习 · 计算机科学 2019-12-09 Yiding Zhang , Xiao Wang , Xunqiang Jiang , Chuan Shi , Yanfang Ye

A hypergraph consists of a set of nodes along with a collection of subsets of the nodes called hyperedges. Higher-order link prediction is the task of predicting the existence of a missing hyperedge in a hypergraph. A hyperedge…

机器学习 · 计算机科学 2024-12-04 Simon Zhang , Cheng Xin , Tamal K. Dey

The message-passing scheme is the core of graph representation learning. While most existing message-passing graph neural networks (MPNNs) are permutation-invariant in graph-level representation learning and permutation-equivariant in node-…

机器学习 · 计算机科学 2022-11-22 Chang Liu , Yuwen Yang , Yue Ding , Hongtao Lu

Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such…

机器学习 · 计算机科学 2020-06-22 Luca Franceschi , Mathias Niepert , Massimiliano Pontil , Xiao He

Graph Neural Networks (GNNs) bring the power of deep representation learning to graph and relational data and achieve state-of-the-art performance in many applications. GNNs compute node representations by taking into account the topology…

机器学习 · 计算机科学 2021-09-10 Maria Kalantzi , George Karypis

Graph neural networks have been widely used on modeling graph data, achieving impressive results on node classification and link prediction tasks. Yet, obtaining an accurate representation for a graph further requires a pooling function…

机器学习 · 计算机科学 2021-06-29 Jinheon Baek , Minki Kang , Sung Ju Hwang

Graph neural networks (GNNs) based on message passing between neighboring nodes are known to be insufficient for capturing long-range interactions in graphs. In this project we study hierarchical message passing models that leverage a…

机器学习 · 计算机科学 2021-08-17 Ladislav Rampášek , Guy Wolf

An important characteristic of temporal graphs is how the directed arrow of time influences their causal topology, i.e., which nodes can possibly influence each other causally via time-respecting paths. The resulting patterns are often…

机器学习 · 计算机科学 2026-05-19 Franziska Heeg , Jonas Sauer , Petra Mutzel , Ingo Scholtes

Graph Neural Networks (GNNs) have become an essential tool for analyzing graph-structured data, leveraging their ability to capture complex relational information. While the expressivity of GNNs, particularly their equivalence to the…

机器学习 · 计算机科学 2024-10-11 Noah Daniëls , Floris Geerts

Learning node embeddings that capture a node's position within the broader graph structure is crucial for many prediction tasks on graphs. However, existing Graph Neural Network (GNN) architectures have limited power in capturing the…

机器学习 · 计算机科学 2019-06-17 Jiaxuan You , Rex Ying , Jure Leskovec

Recent studies on Graph Neural Networks(GNNs) provide both empirical and theoretical evidence supporting their effectiveness in capturing structural patterns on both homophilic and certain heterophilic graphs. Notably, most real-world…

机器学习 · 计算机科学 2023-10-17 Haitao Mao , Zhikai Chen , Wei Jin , Haoyu Han , Yao Ma , Tong Zhao , Neil Shah , Jiliang Tang

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