Related papers: A Novel Method to Construct NSSD Molecular Graphs
Given a graph $G$, a subgraph $H$ is isometric if $d_H(u,v) = d_G(u,v)$ for every pair $u,v\in V(H)$, where $d$ is the distance function. A graph $G$ is distance preserving (dp) if it has an isometric subgraph of every possible order. A…
The monography examines the problem of constructing a group of automorphisms of a graph. A graph automorphism is a mapping of a set of vertices onto itself that preserves adjacency. The set of such automorphisms forms a vertex group of a…
In this paper we consider module-composed graphs, i.e. graphs which can be defined by a sequence of one-vertex insertions v_1,...,v_n, such that the neighbourhood of vertex v_i, 2<= i<= n, forms a module (a homogeneous set) of the graph…
A nut graph is a graph on at least 2 vertices whose adjacency matrix has nullity 1 and for which non-trivial kernel vectors do not contain a zero. Chemical graphs are connected, with maximum degree at most three. We present a new algorithm…
Differential equations where the graph of some derivative of a function is composed of a finite number of similarity transformations of the graph of the function itself are defined. We call these self-similar differential equations (SSDEs)…
We propose GraphNVP, the first invertible, normalizing flow-based molecular graph generation model. We decompose the generation of a graph into two steps: generation of (i) an adjacency tensor and (ii) node attributes. This decomposition…
In this paper, we study commutative zero-divisor semigroups determined by graphs. We prove a uniqueness theorem for a class of graphs. We show two classes of graphs that have no corresponding semigroups. In particular, any complete graph…
We present a new formulation of the hyperbolic singular value decomposition (HSVD) for an arbitrary complex (or real) matrix without hyperexchange matrices and redundant invariant parameters. In our formulation, we use only the concept of…
In this paper we present an algorithm that generates $k$-noncrossing, $\sigma$-modular diagrams with uniform probability. A diagram is a labeled graph of degree $\le 1$ over $n$ vertices drawn in a horizontal line with arcs $(i,j)$ in the…
A travel groupoid is an algebraic system related with graphs. In this paper, we give an algorithm to construct smooth travel groupoids for any finite graph. This algorithm gives an answer of L.~Nebesk$\acute{\mbox{y}}$'s question, "Does…
Molecular graphs of unsaturated carbon frameworks or hydrocarbons pruned of hydrogen atoms, are chemical graphs. A chemical graph is a connected simple graph of maximum degree $3$ or less. A nut graph is a connected simple graph with a…
A nut graph is a singular graph with one-dimensional kernel and corresponding eigenverctor with no zero elements. The problem of determining the orders $n$ for which $d$-regular nut graphs exist was recently posed by Gauci, Pisanski and…
A graph $G$ is a non-separating planar graph if there is a drawing $D$ of $G$ on the plane such that (1) no two edges cross each other in $D$ and (2) for any cycle $C$ in $D$, any two vertices not in $C$ are on the same side of $C$ in $D$.…
Conduction graphs are defined here in order to elucidate at a glance the often complicated conduction behaviour of molecular graphs as ballistic molecular conductors. The graph $G^{\mathrm C}$ describes all possible conducting devices…
Machine learning techniques have recently been adopted in various applications in medicine, biology, chemistry, and material engineering. An important task is to predict the properties of molecules, which serves as the main subroutine in…
Degree-based graph construction is an ubiquitous problem in network modeling, ranging from social sciences to chemical compounds and biochemical reaction networks in the cell. This problem includes existence, enumeration, exhaustive…
Graph Neural Networks (GNNs) have received increasing attention in many fields. However, due to the lack of prior graphs, their use for semantic labeling has been limited. Here, we propose a novel architecture called the Self-Constructing…
Let $\Gamma$ be a simple connect graph on a finite vertex set $V$ and let $A$ be its adjacency matrix. Then $\Gamma$ is said to be \textit{singular} if and only if $0$ is an eigenvalue of $A.$ The \textit{nullity (singularity)} of $\Gamma,$…
A nut graph is a simple graph whose adjacency matrix is singular with $1$-dimensional kernel such that the corresponding eigenvector has no zero entries. In 2020, Fowler et al. characterised for each $d \in \{3,4,\ldots,11\}$ all values $n$…
Let $\Gamma$ be a simple graph on a finite vertex set $V$ and let $A$ be its adjacency matrix. Then $\Gamma$ is said to be singular if and only if $0$ is an eigenvalue of $A.$ The nullity (singularity) of $\Gamma,$ denoted by ${\rm…