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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

We present novel graph kernels for graphs with node and edge labels that have ordered neighborhoods, i.e. when neighbor nodes follow an order. Graphs with ordered neighborhoods are a natural data representation for evolving graphs where…

Machine Learning · Computer Science 2018-05-30 Moez Draief , Konstantin Kutzkov , Kevin Scaman , Milan Vojnovic

We investigate the power of graph isomorphism algorithms based on algebraic reasoning techniques like Gr\"obner basis computation. The idea of these algorithms is to encode two graphs into a system of equations that are satisfiable if and…

Computational Complexity · Computer Science 2015-02-23 Christoph Berkholz , Martin Grohe

The availability of graph data with node attributes that can be either discrete or real-valued is constantly increasing. While existing kernel methods are effective techniques for dealing with graphs having discrete node labels, their…

Machine Learning · Computer Science 2024-10-30 Giovanni Da San Martino , Nicolò Navarin , Alessandro Sperduti

Graph kernels are usually defined in terms of simpler kernels over local substructures of the original graphs. Different kernels consider different types of substructures. However, in some cases they have similar predictive performances,…

Machine Learning · Computer Science 2016-07-22 Nicolò Navarin , Alessandro Sperduti , Riccardo Tesselli

Graph kernels are historically the most widely-used technique for graph classification tasks. However, these methods suffer from limited performance because of the hand-crafted combinatorial features of graphs. In recent years, graph neural…

Machine Learning · Computer Science 2022-02-28 Aosong Feng , Chenyu You , Shiqiang Wang , Leandros Tassiulas

Multi-kernel learning (MKL) has been widely used in function approximation tasks. The key problem of MKL is to combine kernels in a prescribed dictionary. Inclusion of irrelevant kernels in the dictionary can deteriorate accuracy of MKL,…

Machine Learning · Computer Science 2021-02-10 Pouya M Ghari , Yanning Shen

Today we have a good theoretical understanding of the representational power of Graph Neural Networks (GNNs). For example, their limitations have been characterized in relation to a hierarchy of Weisfeiler-Lehman (WL) isomorphism tests.…

Machine Learning · Computer Science 2023-03-08 Mohammad Sadegh Akhondzadeh , Vijay Lingam , Aleksandar Bojchevski

We propose CRaWl, a novel neural network architecture for graph learning. Like graph neural networks, CRaWl layers update node features on a graph and thus can freely be combined or interleaved with GNN layers. Yet CRaWl operates…

Machine Learning · Computer Science 2023-08-22 Jan Tönshoff , Martin Ritzert , Hinrikus Wolf , Martin Grohe

In this paper, we propose an approach for Relationship Extraction (RE) based on labeled graph kernels. The kernel we propose is a particularization of a random walk kernel that exploits two properties previously studied in the RE…

Computation and Language · Computer Science 2013-02-21 Gonçalo Simões , Helena Galhardas , David Matos

Graph signals are widely used to describe vertex attributes or features in graph-structured data, with applications spanning the internet, social media, transportation, sensor networks, and biomedicine. Graph signal processing (GSP) has…

Signal Processing · Electrical Eng. & Systems 2025-05-22 Yu Zhang , Linyu Peng , Bing-Zhao Li

The $k$-dimensional Weisfeiler-Leman algorithm ($k$-WL) is a fruitful approach to the Graph Isomorphism problem. 2-WL corresponds to the original algorithm suggested by Weisfeiler and Leman over 50 years ago. 1-WL is the classical color…

Discrete Mathematics · Computer Science 2019-04-10 V. Arvind , Frank Fuhlbrück , Johannes Köbler , Oleg Verbitsky

In recent years, graph neural networks (GNNs) have emerged as a powerful neural architecture to learn vector representations of nodes and graphs in a supervised, end-to-end fashion. Up to now, GNNs have only been evaluated empirically --…

We establish a bridge between spectral clustering and Gromov-Wasserstein Learning (GWL), a recent optimal transport-based approach to graph partitioning. This connection both explains and improves upon the state-of-the-art performance of…

Machine Learning · Computer Science 2021-03-04 Samir Chowdhury , Tom Needham

Non-linear kernel methods can be approximated by fast linear ones using suitable explicit feature maps allowing their application to large scale problems. We investigate how convolution kernels for structured data are composed from base…

Machine Learning · Computer Science 2019-11-26 Nils M. Kriege , Marion Neumann , Christopher Morris , Kristian Kersting , Petra Mutzel

We focus on graph classification using a graph neural network (GNN) model that precomputes the node features using a bank of neighborhood aggregation graph operators arranged in parallel. These GNN models have a natural advantage of reduced…

Machine Learning · Computer Science 2022-11-23 Siddhant Doshi , Sundeep Prabhakar Chepuri

The expressive power of Graph Neural Networks (GNNs) has been studied extensively through the Weisfeiler-Leman (WL) graph isomorphism test. However, standard GNNs and the WL framework are inapplicable for geometric graphs embedded in…

Machine Learning · Computer Science 2024-03-05 Chaitanya K. Joshi , Cristian Bodnar , Simon V. Mathis , Taco Cohen , Pietro Liò

Robustness in complex systems is of significant engineering and economic importance. However, conventional attack-based a posteriori robustness assessments incur prohibitive computational overhead. Recently, deep learning methods, such as…

Machine Learning · Computer Science 2025-12-29 Chengyu Tian , Wenbin Pei

Graph isomorphism, a classical algorithmic problem, determines whether two input graphs are structurally identical or not. Interestingly, it is one of the few problems that is not yet known to belong to either the P or NP-complete…

Data Structures and Algorithms · Computer Science 2024-10-01 Sourav Dutta , Arnab Bhattacharya

Graph Neural Networks (GNNs) are a large class of relational models for graph processing. Recent theoretical studies on the expressive power of GNNs have focused on two issues. On the one hand, it has been proven that GNNs are as powerful…