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Graphs have a superior ability to represent relational data, like chemical compounds, proteins, and social networks. Hence, graph-level learning, which takes a set of graphs as input, has been applied to many tasks including comparison,…

Graphs, as a relational data structure, have been widely used for various application scenarios, like molecule design and recommender systems. Recently, large language models (LLMs) are reorganizing in the AI community for their expected…

人工智能 · 计算机科学 2025-02-19 Dongqi Fu , Liri Fang , Zihao Li , Hanghang Tong , Vetle I. Torvik , Jingrui He

We offer a simple graphical representation for proofs of intuitionistic logic, which is inspired by proof nets and interaction nets (two formalisms originating in linear logic). This graphical calculus of proofs inherits good features from…

计算机科学中的逻辑 · 计算机科学 2011-02-15 Sandra Alves , Maribel Fernández , Ian Mackie

Modeling molecules as undirected graphs and chemical reactions as graph rewriting operations is a natural and convenient approach tom odeling chemistry. Graph grammar rules are most naturally employed to model elementary reactions like…

离散数学 · 计算机科学 2012-08-17 Jakob L. Andersen , Christoph Flamm , Daniel Merkle , Peter F. Stadler

We explore pseudometrics for directed graphs in order to better understand their topological properties. The directed flag complex associated to a directed graph provides a useful bridge between network science and topology. Indeed, it has…

In recent years, Graph Neural Networks (GNNs) have made significant advances in processing structured data. However, most of them primarily adopted a model-centric approach, which simplifies graphs by converting them into undirected formats…

机器学习 · 计算机科学 2024-12-12 Henan Sun , Xunkai Li , Daohan Su , Junyi Han , Rong-Hua Li , Guoren Wang

We discuss the role of combinators in the development of the modern conception of computation over the course of the past century. We describe how ideas about formalism and mathematical logic led to the introduction of combinators in 1920…

计算机科学中的逻辑 · 计算机科学 2021-02-22 Stephen Wolfram

Graph Neural Network (GNNs) based methods have recently become a popular tool to deal with graph data because of their ability to incorporate structural information. The only hurdle in the performance of GNNs is the lack of labeled data.…

机器学习 · 计算机科学 2022-08-26 Maria Marrium , Arif Mahmood

Quantum physics has revealed many interesting formal properties associated with the algebra of two operators, A and B, satisfying the partial commutation relation AB-BA=1. This study surveys the relationships between classical combinatorial…

组合数学 · 数学 2015-03-17 Pawel Blasiak , Philippe Flajolet

Graph C*-algebras have been celebrated as C*-algebras that can be seen, because many important properties may be determined by looking at the underlying graph. This paper introduces the permutation graph for a permutative endomorphism of a…

算子代数 · 数学 2015-01-15 James Emil Avery , Rune Johansen , Wojciech Szymanski

The generalized hierarchical product of graphs was introduced by L. Barri\'ere et al in 2009. In this paper, reformulated first Zagreb index of generalized hierarchical product of two connected graphs and hence as a special case cluster…

离散数学 · 计算机科学 2017-04-20 Nilanjan De

We introduce MetaChem, a language for representing and implementing Artificial Chemistries. We motivate the need for modularisation and standardisation in representation of artificial chemistries. We describe a mathematical formalism for…

新兴技术 · 计算机科学 2020-06-16 Penelope Faulkner Rainford , Angelika Sebald , Susan Stepney

We develop some aspects of a general theory of presentations of subshifts by labelled directed graphs, in particular by compact graphs. Also considered are synchronization properties of subshifts that lead to presentations by countable…

动力系统 · 数学 2012-09-11 Wolfgang Krieger

In this paper, we study the Reconstruction Conjecture for finite simple graphs. Let $\Gamma$ and $\Gamma'$ be finite simple graphs with at least three vertices such that there exists a bijective map $f:V(\Gamma) \rightarrow V(\Gamma')$ and…

组合数学 · 数学 2021-06-22 Tetsuya Hosaka

In this paper we invite the reader to a journey through three lambda calculi with resource control: the lambda calculus, the sequent lambda calculus, and the lambda calculus with explicit substitution. All three calculi enable explicit…

逻辑 · 数学 2013-06-11 Silvia Ghilezan , Jelena Ivetic , Pierre Lescanne , Silvia Likavec

We develop a theory for the optical conductivity of doped multilayer graphene including the effects of electron-electron interactions. Applying the quantum kinetic formalism, we formulate a set of pseudospin Bloch equations that governs the…

介观与纳米尺度物理 · 物理学 2018-04-03 Xiao Li , Wang-Kong Tse

Linear typed $\lambda$-calculi are more delicate than their simply typed siblings when it comes to metatheoretic results like preservation of typing under renaming and substitution. Tracking the usage of variables in contexts places more…

编程语言 · 计算机科学 2022-01-03 James Wood , Robert Atkey

Each graph and choice of a commutative ring gives rise to an associated graphical group. In this article, we introduce and investigate graph polynomials that enumerate conjugacy classes of graphical groups over finite fields according to…

群论 · 数学 2022-03-14 Tobias Rossmann

In this article we are introducing combinatorial spectra of graphs, this is a generalization of $H$-Hamiltonian spectra. The main motivation was to made from $H$-Hamiltonian spectra an operation and develop some algebra in this field. An…

组合数学 · 数学 2023-11-21 Martin Dzúrik

We have applied the graph theory to estimation of interactions between electronic excitations in molecular crystals. Intramolecular and intermolecular excitations have been considered. The intermolecular interactions contain molecular…

化学物理 · 物理学 2015-01-20 Hiroya Nitta , Isao Kawata