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Consider a graph G = G(k,d,s) with vertex set the set of all k-letter words over an alphabet of size d. An edge e = vw is in E iff v is distinct from w and the last(first) k-s letters of v are identical to the first(last) k-s letters of w.…

Combinatorics · Mathematics 2007-05-23 Anant Godbole , Debra Knisley , Rick Norwood

Graph neural networks (GNNs) are a powerful architecture for tackling graph learning tasks, yet have been shown to be oblivious to eminent substructures such as cycles. We present TOGL, a novel layer that incorporates global topological…

Machine Learning · Computer Science 2022-03-18 Max Horn , Edward De Brouwer , Michael Moor , Yves Moreau , Bastian Rieck , Karsten Borgwardt

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

Recently, the work on quantum automorphism groups of graphs has seen renewed progress, which we expand in this paper. Quantum symmetry is a richer notion of symmetry than the classical symmetries of a graph. In general, it is non-trivial to…

Quantum Algebra · Mathematics 2024-04-24 Julien Schanz

A graph $G=(V,E)$ is representable if there exists a word $W$ over the alphabet $V$ such that letters $x$ and $y$ alternate in $W$ if and only if $(x,y)\in E$ for each $x\neq y$. If $W$ is $k$-uniform (each letter of $W$ occurs exactly $k$…

Combinatorics · Mathematics 2008-10-03 Magnus Mar Halldorsson , Sergey Kitaev , Artem Pyatkin

Relational pooling is a framework for building more expressive and permutation-invariant graph neural networks. However, there is limited understanding of the exact enhancement in the expressivity of RP and its connection with the…

Machine Learning · Computer Science 2023-05-10 Cai Zhou , Xiyuan Wang , Muhan Zhang

Research on the theoretical expressiveness of Graph Neural Networks (GNNs) has developed rapidly, and many methods have been proposed to enhance the expressiveness. However, most methods do not have a uniform expressiveness measure except…

Machine Learning · Computer Science 2024-06-04 Yanbo Wang , Muhan Zhang

In this paper, we show that computing canonical labelings of graphs of bounded rank-width is in $\textsf{TC}^{2}$. Our approach builds on the framework of K\"obler & Verbitsky (CSR 2008), who established the analogous result for graphs of…

Data Structures and Algorithms · Computer Science 2024-04-26 Michael Levet , Puck Rombach , Nicholas Sieger

Rethink convolution-based graph neural networks (GNN) -- they characteristically suffer from limited expressiveness, over-smoothing, and over-squashing, and require specialized sparse kernels for efficient computation. Here, we design a…

Machine Learning · Computer Science 2024-10-01 Yuanqing Wang , Kyunghyun Cho

We initiate the study of a new parameterization of graph problems. In a multiple interval representation of a graph, each vertex is associated to at least one interval of the real line, with an edge between two vertices if and only if an…

Data Structures and Algorithms · Computer Science 2011-12-19 Fedor V. Fomin , Serge Gaspers , Petr Golovach , Karol Suchan , Stefan Szeider , Erik Jan van Leeuwen , Martin Vatshelle , Yngve Villanger

We propose an algorithm for deep learning on networks and graphs. It relies on the notion that many graph algorithms, such as PageRank, Weisfeiler-Lehman, or Message Passing can be expressed as iterative vertex updates. Unlike previous…

Machine Learning · Computer Science 2018-06-05 Emmanouil Antonios Platanios , Alex Smola

A simple graph $G=(V,E)$ is word-representable if there exists a word $w$ over the alphabet $V$ such that letters $x$ and $y$ alternate in $w$ iff $xy\in E$. Word-representable graphs generalize several important classes of graphs. A graph…

Combinatorics · Mathematics 2019-10-03 Özgür Akgün , Ian P. Gent , Sergey Kitaev , Hans Zantema

Applying machine learning to molecules is challenging because of their natural representation as graphs rather than vectors.Several architectures have been recently proposed for deep learning from molecular graphs, but they suffer from…

Machine Learning · Statistics 2020-09-15 Jaak Simm , Adam Arany , Edward De Brouwer , Yves Moreau

The expressive power of message passing neural networks (MPNNs) is known to match the expressive power of the 1-dimensional Weisfeiler-Leman graph (1-WL) isomorphism test. To boost the expressive power of MPNNs, a number of graph neural…

Machine Learning · Computer Science 2020-06-18 Floris Geerts

Designing expressive Graph Neural Networks (GNNs) is a fundamental topic in the graph learning community. So far, GNN expressiveness has been primarily assessed via the Weisfeiler-Lehman (WL) hierarchy. However, such an expressivity measure…

Machine Learning · Computer Science 2024-01-17 Bohang Zhang , Jingchu Gai , Yiheng Du , Qiwei Ye , Di He , Liwei Wang

Graph neural network (GNN) is a popular tool to learn the lower-dimensional representation of a graph. It facilitates the applicability of machine learning tasks on graphs by incorporating domain-specific features. There are various options…

Machine Learning · Computer Science 2020-08-21 Md. Khaledur Rahman

In high-dimensional graph learning problems, some topological properties of the graph, such as bounded node degree or tree structure, are typically assumed to hold so that the sample complexity of recovering the graph structure can be…

Statistics Theory · Mathematics 2018-06-12 De Wen Soh , Sekhar Tatikonda

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…

Machine Learning · Computer Science 2021-06-29 Jinheon Baek , Minki Kang , Sung Ju Hwang

For a graph $G$ and a parameter $k$, we call a vertex $k$-enabling if it belongs both to a clique of size $k$ and to an independent set of size $k$, and we call it $k$-excluding otherwise. Motivated by issues that arise in secret sharing…

Data Structures and Algorithms · Computer Science 2025-09-03 Uriel Feige , Ilia Pauzner

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