Related papers: Enumerating Chemical Graphs with Two Disjoint Cycl…
In this paper we count all the subpaths of a given graph G; including the subpaths of length zero, and we call this quantity the subpath number of G. The subpath number is related to the extensively studied number of subtrees, as it can be…
Many polynomial invariants are defined on graphs for encoding the combinatorial information and researching them algebraically. In this paper, we introduce the cycle polynomial and the path polynomial of directed graphs for counting cycles…
This summarizes our latest understanding and results about the algorithms for enumerating Tanner Graphs that have a regular structure called Balanced Tanner Graphs. Enumeration algorithms for Balanced Tanner Graphs based upon Cyclic…
Many well-known combinatorial optimization problems can be stated over the set of acyclic orientations of an undirected graph. For example, acyclic orientations with certain diameter constraints are closely related to the optimal solutions…
Graph-structured data is central to many scientific and industrial domains, where the goal is often to optimize objectives defined over graph structures. Given the combinatorial complexity of graph spaces, such optimization problems are…
We investigate spectral properties of quantum graphs in the form of a periodic chain of rings with a connecting link between each adjacent pair, assuming that wave functions at the vertices are matched through conditions manifestly…
The \emph{thinness} of a graph is a width parameter that generalizes some properties of interval graphs, which are exactly the graphs of thinness one. Graphs with thinness at most two include, for example, bipartite convex graphs. Many…
The basic functional equations for connected and 2-connnected graphs can be traced back to the statistical physicists Mayer and Husimi. They play an essential role in establishing rigorously the virial expansion for imperfect gases. We…
In this paper, we propose a novel family of descriptors of chemical graphs, named cycle-configuration (CC), that can be used in the standard "two-layered (2L) model" of mol-infer, a molecular inference framework based on mixed integer…
Recently designed biomolecular approaches to build single chain polypeptide polyhedra as molecular origami nanostructures have risen high interest in various double traces of the underlying graphs of these polyhedra. Double traces are walks…
In 2021, Gupta and Suzumura proposed a novel algorithm for enumerating all bounded-length simple cycles in directed graphs. In this work, we present concrete examples demonstrating that the proposed algorithm fails to enumerate certain…
We enumerate height-restricted path diagrams associated with $q$-tangent and $q$-secant numbers by considering convergents of continued fractions, leading to expressions involving basic hypergeometric functions. Our work generalises some…
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…
Connectivity problems like k-Path and k-Disjoint Paths relate to many important milestones in parameterized complexity, namely the Graph Minors Project, color coding, and the recent development of techniques for obtaining kernelization…
Counting non-isomorphic tree-like multigraphs that include self-loops and multiple edges is an important problem in combinatorial enumeration, with applications in chemical graph theory, polymer science, and network modeling. Traditional…
We study the problem of generating graphs with prescribed degree sequences for bipartite, directed, and undirected networks. We first propose a sequential method for bipartite graph generation and establish a necessary and sufficient…
A tuple (s1,t1,s2,t2) of vertices in a simple undirected graph is 2-linked when there are two vertex-disjoint paths respectively from s1 to t1 and s2 to t2. A graph is 2-linked when all such tuples are 2-linked. We give a new and simple…
Recently, deep learning based methods have demonstrated promising results on the graph matching problem, by relying on the descriptive capability of deep features extracted on graph nodes. However, one main limitation with existing deep…
Graph transformation systems have the potential to be realistic models of chemistry, provided a comprehensive collection of reaction rules can be extracted from the body of chemical knowledge. A first key step for rule learning is the…
We consider the problem of finding edge-disjoint paths between given pairs of vertices in a sufficiently strong $d$-regular expander graph $G$ with $n$ vertices. In particular, we describe a deterministic, polynomial time algorithm which…