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Multiparticle correlators are mathematical objects frequently encountered in quantum field theory and collider physics. By translating multiparticle correlators into the language of graph theory, we can gain new insights into their…
Quantifying how hard it is to build a molecular graph matters for biosignature detection, chemical complexity, and cheminformatics. We present an exact, scalable algorithm to compute the molecular assembly index (MA) which prioritizes the…
We study the problem of finding a maximum cardinality minimal separator of a graph. This problem is known to be NP-hard even for bipartite graphs. In this paper, we strengthen this hardness by showing that for planar bipartite graphs, the…
The prediction of physicochemical properties from molecular structures is a crucial task for artificial intelligence aided molecular design. A growing number of Graph Neural Networks (GNNs) have been proposed to address this challenge.…
Connectivity related concepts are of fundamental interest in graph theory. The area has received extensive attention over four decades, but many problems remain unsolved, especially for directed graphs. A directed graph is 2-edge-connected…
Many NP-Hard problems on general graphs, such as maximum independence set, maximal cliques and graph coloring can be solved efficiently on chordal graphs. In this paper, we explore the problem of non-separating st-paths defined on edges:…
Graph neural networks (GNNs) demonstrate great performance in compound property and activity prediction due to their capability to efficiently learn complex molecular graph structures. However, two main limitations persist including…
Combinatorial optimization is a fundamental problem found in many fields. In many real life situations, the constraints and the objective function forming the optimization problem are naturally distributed amongst different sites in some…
In this paper we present an algorithmic framework for solving a class of combinatorial optimization problems on graphs with bounded pathwidth. The problems are NP-hard in general, but solvable in linear time on this type of graphs. The…
Subgraph matching is the problem of determining the presence and location(s) of a given query graph in a large target graph. Despite being an NP-complete problem, the subgraph matching problem is crucial in domains ranging from network…
For $p,q\ge2$ the $\{p,q\}$-tiling graph is the (finite or infinite) planar graph $T_{p,q}$ where all faces are cycles of length $p$ and all vertices have degree $q$. We give algorithms for the problem of recognizing (induced) subgraphs of…
The radius and diameter are fundamental graph parameters. They are defined as the minimum and maximum of the eccentricities in a graph, respectively, where the eccentricity of a vertex is the largest distance from the vertex to another…
Minimal separators in graphs are an important concept in algorithmic graph theory. In particular, many problems that are NP-hard for general graphs are known to become polynomial-time solvable for classes of graphs with a polynomially…
Any graph with maximum degree $\Delta$ admits a proper vertex coloring with $\Delta + 1$ colors that can be found via a simple sequential greedy algorithm in linear time and space. But can one find such a coloring via a sublinear algorithm?…
Learning low-dimensional embeddings of knowledge graphs is a powerful approach used to predict unobserved or missing edges between entities. However, an open challenge in this area is developing techniques that can go beyond simple edge…
Graph similarity search is among the most important graph-based applications, e.g. finding the chemical compounds that are most similar to a query compound. Graph similarity computation, such as Graph Edit Distance (GED) and Maximum Common…
The complexity class NP of decision problems that can be solved nondeterministically in polynomial time is of great theoretical and practical importance where the notion of polynomial-time reductions between NP-problems is a key concept for…
In the Partially Embedded Planarity problem, we are given a graph $G$ together with a topological drawing of a subgraph $H$ of $G$. The task is to decide whether the drawing can be extended to a drawing of the whole graph such that no two…
In this paper we describe a physical problem, based on electromagnetic fields, whose topological constraints are higher dimensional versions of Kirchhoff's laws, involving $2-$ simplicial complexes embedded in $\mathbb{R} ^3$ rather than…
It is known that problems like Vertex Cover, Feedback Vertex Set and Odd Cycle Transversal are polynomial time solvable in the class of chordal graphs. We consider these problems in a graph that has at most $k$ vertices whose deletion…