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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

Large scale complex systems, such as social networks, electrical power grid, database structure, consumption pattern or brain connectivity, are often modeled using network graphs. Valuable insight can be gained by measuring the similarity…

Quantum Physics · Physics 2019-03-01 Callum Schofield , Jingbo B. Wang , Yuying Li

This survey is concerned with random walks on mapping class groups. We illustrate how the actions of mapping class groups on Teichm\"uller spaces or curve complexes reveal the nature of random walks, and vice versa. Our emphasis is on the…

Geometric Topology · Mathematics 2021-10-12 Inhyeok Choi , Hyungryul Baik

A common problem of classical neural network architectures is that additional information or expert knowledge cannot be naturally integrated into the learning process. To overcome this limitation, we propose a two-step approach consisting…

Machine Learning · Computer Science 2024-06-17 Florian Seiffarth

We develop a novel method for measuring the similarity between complete weighted graphs, which are probed by means of discrete-time quantum walks. Directly probing complete graphs using discrete-time quantum walks is intractable due to the…

Data Structures and Algorithms · Computer Science 2019-05-01 Lu Bai , Luca Rossi , Lixin Cui , Jian Cheng , Edwin R. Hancock

We introduce the \emph{temporal graphlet kernel} for classifying dissemination processes in labeled temporal graphs. Such dissemination processes can be spreading (fake) news, infectious diseases, or computer viruses in dynamic networks.…

Social and Information Networks · Computer Science 2022-09-16 Lutz Oettershagen , Nils M. Kriege , Claude Jordan , Petra Mutzel

The individualization-refinement paradigm provides a strong toolbox for testing isomorphism of two graphs and indeed, the currently fastest implementations of isomorphism solvers all follow this approach. While these solvers are fast in…

Computational Complexity · Computer Science 2017-05-10 Daniel Neuen , Pascal Schweitzer

In recent years, new neural network architectures designed to operate on graph-structured data have pushed the state-of-the-art in the field. A large set of these architectures utilize a form of classical random walks to diffuse…

Quantum Physics · Physics 2018-06-18 Stefan Dernbach , Arman Mohseni-Kabir , Siddharth Pal , Don Towsley , Miles Gepner

Predicting links in complex networks has been one of the essential topics within the realm of data mining and science discovery over the past few years. This problem remains an attempt to identify future, deleted, and redundant links using…

Social and Information Networks · Computer Science 2021-05-21 Kamal Berahmand , Elahe Nasiri , Saman Forouzandeh , Yuefeng Li

This work derives closed-form expressions computing the expectation of co-presence and of number of co-occurrences of nodes on paths sampled from a network according to general path weights (a bag of paths). The underlying idea is that two…

Machine Learning · Computer Science 2021-08-24 Guillaume Guex , Sylvain Courtain , Marco Saerens

A quantum walk places a traverser into a superposition of both graph location and traversal "spin." The walk is defined by an initial condition, an evolution determined by a unitary coin/shift-operator, and a measurement based on the…

Quantum Physics · Physics 2015-11-25 Marko A. Rodriguez , Jennifer H. Watkins

Many real-world graphs or networks are temporal, e.g., in a social network persons only interact at specific points in time. This information directs dissemination processes on the network, such as the spread of rumors, fake news, or…

Social and Information Networks · Computer Science 2021-08-23 Lutz Oettershagen , Nils M. Kriege , Christopher Morris , Petra Mutzel

Link prediction is one important application of graph neural networks (GNNs). Most existing GNNs for link prediction are based on one-dimensional Weisfeiler-Lehman (1-WL) test. 1-WL-GNNs first compute node representations by iteratively…

Machine Learning · Computer Science 2022-06-22 Yang Hu , Xiyuan Wang , Zhouchen Lin , Pan Li , Muhan Zhang

Kernel and linear regression have been recently explored in the prediction of graph signals as the output, given arbitrary input signals that are agnostic to the graph. In many real-world problems, the graph expands over time as new nodes…

Machine Learning · Computer Science 2019-11-27 Arun Venkitaraman , Saikat Chatterjee , Bo Wahlberg

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

Various recent proposals increase the distinguishing power of Graph Neural Networks GNNs by propagating features between $k$-tuples of vertices. The distinguishing power of these "higher-order'' GNNs is known to be bounded by the…

Machine Learning · Computer Science 2021-06-15 Pablo Barceló , Floris Geerts , Juan Reutter , Maksimilian Ryschkov

We propose a new graph-theoretic benchmark in this paper. The benchmark is developed to address shortcomings of an existing widely-used graph benchmark. We thoroughly studied a large number of traditional and contemporary graph algorithms…

Performance · Computer Science 2010-05-06 Andy B. Yoo , Yang Liu , Sheila Vaidya , Stephen Poole

Graph-limit theory focuses on the convergence of sequences of graphs when the number of nodes becomes arbitrarily large. This framework defines a continuous version of graphs allowing for the study of dynamical systems on very large graphs,…

Probability · Mathematics 2020-05-20 Julien Petit , Renaud Lambiotte , Timoteo Carletti

In this paper we introduce the notion of Random Walk in Changing Environment - a random walk in which each step is performed in a different graph on the same set of vertices, or more generally, a weighted random walk on the same vertex and…

Probability · Mathematics 2017-07-05 Gideon Amir , Itai Benjamini , Ori Gurel-Gurevich , Gady Kozma

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