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MiS Preprint Repository

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MiS Preprint
9/2023

Chemically inspired Erd\H{o}s-R\'enyi oriented hypergraphs

Angel Garcia-Chung, Marisol Bermúdez Montaña, Peter F. Stadler, Jürgen Jost and Guillermo Restrepo

Abstract

High-order structures have been recognised as suitable models for systems going beyond the binary relationships for which graph models are appropriate. Despite their importance and surge in research on these structures, their random cases have been only recently become subjects of interest. One of these high-order structures is the oriented hypergraph, which relates couples of subsets of an arbitrary number of vertices. Here we develop the Erd\H{o}s-R\'enyi model for oriented hypergraphs, which corresponds to the random realisation of oriented hyperedges of the complete oriented hypergraph. A particular feature of random oriented hypergraphs is that the ratio between their expected number of oriented hyperedges and their expected degree or size is 3/2 for large number of vertices. We highlight the suitability of oriented hypergraphs for modelling large collections of chemical reactions and the importance of random oriented hypergraphs to analyse the unfolding of chemistry.

Received:
Sep 12, 2023
Published:
Sep 12, 2023
Keywords:
graphs, hypergraphs, Chemical space, random model, Erdös-Rényi.

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Preprint
2023 Repository Open Access
Angel Alejandro García-Chung, Marisol Bermúdez Montaña, Peter F. Stadler, Jürgen Jost and Guillermo Restrepo

Chemically inspired Erdös-Rényi oriented hypergraphs