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Graphs are versatile tools for representing structured data. As a result, a variety of machine learning methods have been studied for graph data analysis. Although many such learning methods depend on the measurement of differences between…

Machine Learning · Statistics 2021-06-18 Tomoki Yoshida , Ichiro Takeuchi , Masayuki Karasuyama

The homology of Kontsevich's commutative graph complex parameterizes finite type invariants of odd dimensional manifolds. This {\it graph homology} is also the twisted homology of Outer Space modulo its boundary, so gives a nice point of…

Quantum Algebra · Mathematics 2010-08-25 James Conant , Ferenc Gerlits , Karen Vogtmann

Finding the common structural features of two molecules is a fundamental task in cheminformatics. Most drugs are small molecules, which can naturally be interpreted as graphs. Hence, the task is formalized as maximum common subgraph…

Data Structures and Algorithms · Computer Science 2016-10-28 Andre Droschinsky , Nils Kriege , Petra Mutzel

Topological relations between three degree-based invariants of a connected graph G are investigated. We present novel inequalities including M1(G), M2(G) and F(G), and show that in all cases equality holds if G is a regular or a semiregular…

Combinatorics · Mathematics 2015-09-29 Tamás Réti , Imre Felde

Graph theory provides powerful tools for modeling concepts in number theory, leading to the introduction of graphs derived from arithmetic properties. One such structure is the divisor prime graph, $G_{Dp(n)}$. For any positive integer $n$,…

Combinatorics · Mathematics 2026-04-09 Purva J. Makadiya , Mahesh M. Jariya , Prashant J. Makadiya

Inspired by the work of Fr{\"o}berg (1990) and Eagon and Reiner (1998), Bayer et al. recently introduced two new graph complexes: total cut complexes and cut complexes. In this article, we investigate these complexes specifically for…

Combinatorics · Mathematics 2026-01-13 Himanshu Chandrakar , Nisith Ranjan Hazra , Debotosh Rout , Anurag Singh

In this paper we give new bounds for a several vertex-based and edge-based topological indices of graphs: Albertson irregularity index, degree variance index, Mostar and the first Zagreb index. Moreover, we give a new upper bound for the…

Combinatorics · Mathematics 2022-10-25 Arber Avdullahu , Slobodan Filipovski

Graph theoretical problems based on shortest paths are at the core of research due to their theoretical importance and applicability. This paper deals with the geodetic number which is a global measure for simple connected graphs and it…

Data Structures and Algorithms · Computer Science 2020-11-24 Ahmad T. Anaqreh , Boglarka G. -Toth , Tamas Vinko

Separated graphs provide a powerful combinatorial tool for approximating dynamical systems. This paper details the explicit construction of Bratteli-like separated graphs -- a generalization of classical Bratteli diagrams -- that encode the…

Dynamical Systems · Mathematics 2026-03-17 Joan Claramunt

With the recent advances in complex networks theory, graph-based techniques for image segmentation has attracted great attention recently. In order to segment the image into meaningful connected components, this paper proposes an image…

Computer Vision and Pattern Recognition · Computer Science 2019-07-12 Youssef Mourchid , Mohammed El Hassouni , Hocine Cherifi

Geometric deep learning (GDL) has demonstrated huge power and enormous potential in molecular data analysis. However, a great challenge still remains for highly efficient molecular representations. Currently, covalent-bond-based molecular…

Computational Physics · Physics 2023-06-28 Cong Shen , Jiawei Luo , Kelin Xia

For a family of graphs $\mathcal{F}$, Weighted $\mathcal{F}$-Deletion is the problem for which the input is a vertex weighted graph $G=(V,E)$ and the goal is to delete $S\subseteq V$ with minimum weight such that $G\setminus…

Data Structures and Algorithms · Computer Science 2020-09-03 Jungho Ahn , Eun Jung Kim , Euiwoong Lee

We introduce a new method for decomposing the edge set of a graph, and use it to replace the Regularity lemma of Szemer\'edi in some graph embedding problems. An algorithmic version is also given.

Combinatorics · Mathematics 2021-10-27 Béla Csaba

Given a simple connected undirected graph G, the Wiener index W(G) of G is defined as half the sum of the distances over all pairs of vertices of G. In practice, G corresponds to what is known as the molecular graph of an organic compound.…

Discrete Mathematics · Computer Science 2010-12-13 R. Balakrishnan , N. Sridharan , K. V. Iyer

Topological indices play an important role in mathematical chemistry especially in the quantitative structure-property relationship (QSPR) and quantitative structure-activity relationship (QSAR). Recent research indicates that the augmented…

Combinatorics · Mathematics 2016-07-26 Akbar Ali , Zahid Raza , Akhlaq Ahmad Bhatti

In recent years, numerous graph generative models (GGMs) have been proposed. However, evaluating these models remains a considerable challenge, primarily due to the difficulty in extracting meaningful graph features that accurately…

Machine Learning · Computer Science 2025-03-18 Chengen Wang , Murat Kantarcioglu

Topological features based on persistent homology capture high-order structural information so as to augment graph neural network methods. However, computing extended persistent homology summaries remains slow for large and dense graphs and…

Machine Learning · Computer Science 2022-11-16 Zuoyu Yan , Tengfei Ma , Liangcai Gao , Zhi Tang , Yusu Wang , Chao Chen

In graph-based applications, a common task is to pinpoint the most important or ``central'' vertex in a (directed or undirected) graph, or rank the vertices of a graph according to their importance. To this end, a plethora of so-called…

Artificial Intelligence · Computer Science 2023-02-28 Andreas Pieris , Jorge Salas

This paper proposes a concise coding of the cells of n-dimensional finite regular grids. It induces a simple, generic and efficient framework for implementing classical digital topology data structures and algorithms. Discrete subsets of…

Discrete Mathematics · Computer Science 2009-06-16 Jacques-Olivier Lachaud

Topological indices have been used to modeling biological and chemical properties of molecules in quantitive structure property relationship studies and quantitive structure activity studies. All the degree based topological indices have…

General Mathematics · Mathematics 2017-07-27 Süleyman Ediz