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In this paper we cast neural networks defined on graphs as message-passing neural networks (MPNNs) in order to study the distinguishing power of different classes of such models. We are interested in whether certain architectures are able…

Machine Learning · Computer Science 2020-04-07 Floris Geerts , Filip Mazowiecki , Guillermo A. Pérez

Two simple undirected graphs are cospectral if their respective adjacency matrices have the same multiset of eigenvalues. Cospectrality yields an equivalence relation on the family of graphs which is provably weaker than isomorphism. In…

Data Structures and Algorithms · Computer Science 2023-06-21 Gaurav Rattan , Tim Seppelt

We consider a hierarchy of graph invariants that naturally extends the spectral invariants defined by F\"urer (Lin. Alg. Appl. 2010) based on the angles formed by the set of standard basis vectors and their projections onto eigenspaces of…

Computational Complexity · Computer Science 2025-05-06 V. Arvind , Frank Fuhlbrück , Johannes Köbler , Oleg Verbitsky

Properties of the `$k$-equivalent' graph families constructed in Cai, F\"{u}rer and Immerman, and Evdokimov and Ponomarenko are analysed relative the the recursive $k$-dim WL method. An extension to the recursive $k$-dim WL method is…

Combinatorics · Mathematics 2011-01-28 B. L. Douglas

Graph Neural Networks (GNNs) are widely used for graph representation learning in many application domains. The expressiveness of vanilla GNNs is upper-bounded by 1-dimensional Weisfeiler-Leman (1-WL) test as they operate on rooted subtrees…

Machine Learning · Computer Science 2024-01-10 Jiaxing Xu , Aihu Zhang , Qingtian Bian , Vijay Prakash Dwivedi , Yiping Ke

Message passing Graph Neural Networks (GNNs) provide a powerful modeling framework for relational data. However, the expressive power of existing GNNs is upper-bounded by the 1-Weisfeiler-Lehman (1-WL) graph isomorphism test, which means…

Machine Learning · Computer Science 2021-02-08 Jiaxuan You , Jonathan Gomes-Selman , Rex Ying , Jure Leskovec

We introduce $r$-loopy Weisfeiler-Leman ($r$-$\ell{}$WL), a novel hierarchy of graph isomorphism tests and a corresponding GNN framework, $r$-$\ell{}$MPNN, that can count cycles up to length $r + 2$. Most notably, we show that…

Machine Learning · Computer Science 2024-11-08 Raffaele Paolino , Sohir Maskey , Pascal Welke , Gitta Kutyniok

Random walk kernels have been introduced in seminal work on graph learning and were later largely superseded by kernels based on the Weisfeiler-Leman test for graph isomorphism. We give a unified view on both classes of graph kernels. We…

Machine Learning · Computer Science 2023-01-18 Nils M. Kriege

Label propagation is a powerful and flexible semi-supervised learning technique on graphs. Neural networks, on the other hand, have proven track records in many supervised learning tasks. In this work, we propose a training framework with a…

Machine Learning · Computer Science 2017-03-16 Thang D. Bui , Sujith Ravi , Vivek Ramavajjala

The expressive power of Graph Neural Networks (GNNs) is often analysed via correspondence to the Weisfeiler-Leman (WL) algorithm and fragments of first-order logic. Standard GNNs are limited to performing aggregation over immediate…

Machine Learning · Computer Science 2026-02-23 Huan Luo , Jonni Virtema

Graph neural networks have become the de facto model for learning from structured data. However, the decision-making process of GNNs remains opaque to the end user, which undermines their use in safety-critical applications. Several…

Machine Learning · Computer Science 2026-05-12 Michele Fontanesi , Alessio Micheli , Marco Podda , Domenico Tortorella

Identifying similar network structures is key to capture graph isomorphisms and learn representations that exploit structural information encoded in graph data. This work shows that ego-networks can produce a structural encoding scheme for…

Machine Learning · Computer Science 2022-12-09 Nurudin Alvarez-Gonzalez , Andreas Kaltenbrunner , Vicenç Gómez

The Weisfeiler-Leman dimension of a graph $G$ is the least number $k$ such that the $k$-dimensional Weisfeiler-Leman algorithm distinguishes $G$ from every other non-isomorphic graph. The dimension is a standard measure of the descriptive…

Computational Complexity · Computer Science 2024-11-18 Moritz Lichter , Simon Raßmann , Pascal Schweitzer

Graph neural networks are prominent models for representation learning over graphs, where the idea is to iteratively compute representations of nodes of an input graph through a series of transformations in such a way that the learned graph…

Machine Learning · Computer Science 2023-10-26 Radoslav Dimitrov , Zeyang Zhao , Ralph Abboud , İsmail İlkan Ceylan

Graph neural network (GNN)'s success in graph classification is closely related to the Weisfeiler-Lehman (1-WL) algorithm. By iteratively aggregating neighboring node features to a center node, both 1-WL and GNN obtain a node representation…

Machine Learning · Computer Science 2021-10-27 Muhan Zhang , Pan Li

Neural networks that process the parameters of other neural networks find applications in domains as diverse as classifying implicit neural representations, generating neural network weights, and predicting generalization errors. However,…

Recently, subgraphs-enhanced Graph Neural Networks (SGNNs) have been introduced to enhance the expressive power of Graph Neural Networks (GNNs), which was proved to be not higher than the 1-dimensional Weisfeiler-Leman isomorphism test. The…

Machine Learning · Computer Science 2023-01-20 Michele Guerra , Indro Spinelli , Simone Scardapane , Filippo Maria Bianchi

Message passing neural networks (MPNNs) have become a dominant flavor of graph neural networks (GNNs) in recent years. Yet, MPNNs come with notable limitations; namely, they are at most as powerful as the 1-dimensional Weisfeiler-Leman…

Machine Learning · Computer Science 2022-11-04 Lingxiao Zhao , Louis Härtel , Neil Shah , Leman Akoglu

Graph Neural Networks (GNNs) have emerged in recent years as a powerful tool to learn tasks across a wide range of graph domains in a data-driven fashion; based on a message passing mechanism, GNNs have gained increasing popularity due to…

Machine Learning · Statistics 2024-04-03 Giuseppe Alessio D'Inverno , Monica Bianchini , Franco Scarselli

The ability of a graph neural network (GNN) to leverage both the graph topology and graph labels is fundamental to building discriminative node and graph embeddings. Building on previous work, we theoretically show that edGNN, our model for…

Machine Learning · Computer Science 2019-12-05 Guillaume Jaume , An-phi Nguyen , María Rodríguez Martínez , Jean-Philippe Thiran , Maria Gabrani