Related papers: A Novel Method to Construct NSSD Molecular Graphs
The \emph{difference subgroup graph} $D(G)$ of a finite group $G$ is defined as the graph whose vertices are the non-trivial proper subgroups of $G$, with two distinct vertices $H$ and $K$ adjacent if and only if $\langle H, K \rangle = G$…
Graph neural networks (GNNs) have demonstrated promising performance across various chemistry-related tasks. However, conventional graphs only model the pairwise connectivity in molecules, failing to adequately represent higher-order…
Let $\Gamma$ be a simple undirected graph on a finite vertex set and let $A$ be its adjacency matrix. Then $\Gamma$ is {\it singular} if $A$ is singular. The problem of characterising singular graphs is easy to state but very difficult to…
Drug Discovery is a fundamental and ever-evolving field of research. The design of new candidate molecules requires large amounts of time and money, and computational methods are being increasingly employed to cut these costs. Machine…
We present a new formulation to calculate the electric conductance of mesoscopic conductors by utilizing the singular value decomposition, which is a mathematical technique to manipulate matrices. Our formulation is useful in treating…
A nut graph is a simple graph whose adjacency matrix has the eigenvalue~0 with multiplicity~1 such that its corresponding eigenvector has no zero entries. Motivated by a question of Fowler et al.~[\emph{Disc. Math. Graph Theory} 40 (2020),…
Graph Neural Networks (GNNs) have shown excellent performance on graphs that exhibit strong homophily with respect to the node labels i.e. connected nodes have same labels. However, they perform poorly on heterophilic graphs. Recent…
In this paper, we present GGSD, a novel graph generative model based on 1) the spectral decomposition of the graph Laplacian matrix and 2) a diffusion process. Specifically, we propose to use a denoising model to sample eigenvectors and…
This paper considers distributed storage systems (DSSs) from a graph theoretic perspective. A DSS is constructed by means of the path decomposition of a 3- regular graph into P4 paths. The paths represent the disks of the DSS and the edges…
A graph $G$ is \emph{nonsingular (singular)} if its adjacency matrix $A(G)$ is nonsingular (singular). In this article, we consider the nonsingularity of block graphs, i.e., graphs in which every block is a clique. Extending the problem, we…
In this article, we propose a new type of square matrix associated with an undirected graph by trading off the naturally imbedded symmetry in them. The proposed matrix is defined using the neighbourhood sets of the vertices. It is called as…
Graphlets are subgraphs rooted at a fixed vertex. The number of occurrences of graphlets aligned to a particular vertex, called graphlet degree sequence (gds), gives a topological description of the surrounding of the analyzed vertex.…
In this paper, we first study what we call Superset-Subset-Disjoint (SSD) set system. Based on properties of SSD set system, we derive the following (I) to (IV): (I) For a nonnegative integer $k$ and a graph $G=(V,E)$ with $|V|\ge2$, let…
Let G be a simple, connected graph on n vertices. Let d_G(u,v) denote the distance between vertices u and v in G. A subgraph H of G is isometric if d_H(u,v)=d_G(u,v) for every u,v in V(H). We say that G is a distance-preserving graph if G…
In this work it is shown that the SD-KE decomposition is multiplicative under determinantal-type functions for graphs with perfect matchings, providing a new tool for the study of unimodular and singular matchable graphs.
A graph $H$ is an \emph{isometric} subgraph of $G$ if $d_H(u,v)= d_G(u,v)$, for every pair~$u,v\in V(H)$. A graph is \emph{distance preserving} if it has an isometric subgraph of every possible order. A graph is \emph{sequentially distance…
The commuting graph $\Delta(G)$ of a finite non-abelian group $G$ is a simple graph with vertex set $G$ and two distinct vertices $x, y$ are adjacent if $xy = yx$. In this paper, among some properties of $\Delta(G)$, we investigate…
By singular value decomposition (SVD) of a numerically singular Hessian matrix and a numerically singular system of linear equations for the experimental data (accumulated in the respective ${\chi ^2}$ function) and constraints, least…
Let $G$ be a finite group. For a fixed element $g$ in $G$ and a given subgroup $H$ of $G$, the relative $g$-noncommuting graph of $G$ is a simple undirected graph whose vertex set is $G$ and two vertices $x$ and $y$ are adjacent if $x \in…
Given a graph $G$, we have the adjacency matrix $A(G)$ and degree diagonal matrix $D(G)$. The $Q$-spectrum is the all eigenvalues of $Q$-matrix $Q(G)=A(G)+D(G)$. A class of graphs is determined by their generalized $Q$-spectrum (DGQS for…