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Mapping the chemical reaction pathways and their corresponding activation barriers is a significant challenge in molecular simulation. Given the inherent complexities of 3D atomic geometries, even generating an initial guess of these paths…

Computational Physics · Physics 2025-01-24 Akihide Hayashi , So Takamoto , Ju Li , Yuta Tsuboi , Daisuke Okanohara

We study 3-plane drawings, that is, drawings of graphs in which every edge has at most three crossings. We show how the recently developed Density Formula for topological drawings of graphs (KKKRSU GD 2024) can be used to count the…

Combinatorics · Mathematics 2025-03-12 Miriam Goetze , Michael Hoffmann , Ignaz Rutter , Torsten Ueckerdt

We study properties of a non-Markovian random walk $X^{(n)}_l$, $l =0,1,2, >...,n$, evolving in discrete time $l$ on a one-dimensional lattice of integers, whose moves to the right or to the left are prescribed by the…

Statistical Mechanics · Physics 2009-11-10 G. Oshanin , R. Voituriez

Given a Poisson process on a bounded interval, its random geometric graph is the graph whose vertices are the points of the Poisson process and edges exist between two points if and only if their distance is less than a fixed given…

Probability · Mathematics 2010-08-31 Laurent Decreusefond , Eduardo Ferraz

Our paper gives bounds for the rate of convergence for a class of random walks on the d-dimensional torus generated by a set of n vectors in R^d/Z^d. We give bounds on the discrepancy distance from Haar measure; our lower bound holds for…

Probability · Mathematics 2007-05-23 Timothy Prescott , Francis Edward Su

We find an explicit expression for the generating function of the number of permutations in S_n avoiding a subgroup of S_k generated by all but one simple transpositions. The generating function turns out to be rational, and its denominator…

Combinatorics · Mathematics 2007-05-23 Toufik Mansour , Alek Vainshtein

We study the vertex pursuit game of \emph{Cops and Robbers}, in which cops try to capture a robber on the vertices of the graph. The minimum number of cops required to win on a given graph $G$ is called the cop number of $G$. We focus on…

Combinatorics · Mathematics 2014-06-12 Noga Alon , Pawel Pralat

We show the power of Bruno Buchberger's seminal Groebner Basis algorithm, interfaced, seamlessly, with what we call symbolic dynamical programming, to automatically generate algebraic equations satisfied by the generating functions…

Combinatorics · Mathematics 2023-05-17 AJ Bu , Doron Zeilberger

We consider the isotropic perimeter generating functions of three-choice, imperfect, and 1-punctured staircase polygons, whose 8th order linear Fuchsian ODEs are previously known. We derive simple relationships between the three generating…

Mathematical Physics · Physics 2016-07-11 M. Assis , M. van Hoeij , J-M. Maillard

A Schr\"oder path is a lattice path from $(0,0)$ to $(2n,0)$ with steps $(1,1)$, $(1,-1)$ and $(2,0)$ that never goes below the $x-$axis. A small Schr\"{o}der path is a Schr\"{o}der path with no $(2,0)$ steps on the $x-$axis. In this paper,…

Combinatorics · Mathematics 2020-09-14 Xiaomei Chen , Yuan Xiang

We consider a well known model of random directed acyclic graphs of order $n$, obtained by recursively adding vertices, where each new vertex has a fixed outdegree $d\ge2$ and the endpoints of the $d$ edges from it are chosen uniformly at…

Probability · Mathematics 2023-02-28 Svante Janson

The paper constructs an infinite sequence of strongly regular directed graphs. The construction is based on representing adjacency matrices as block matrices composed of circulant blocks, together with the use of a compactification…

Combinatorics · Mathematics 2026-03-18 Viktor A. Byzov , Igor A. Pushkarev

When we want to simulate the realization of a symmetric simple random walk on $\mathbb Z^d$, we use $(2d)$-side fair dice to decide to which neighbor it jumps at each step if $d\geq 2$ or we simply use a fair coin when $d=1$. Assume that…

In this paper, we develop a new method to produce explicit formulas for the number $f_{G}(n)$ of rooted spanning forests in the circulant graphs $ G=C_{n}(s_1,s_2,\ldots,s_k)$ and $ G=C_{2n}(s_1,s_2,\ldots,s_k,n).$ These formulas are…

Combinatorics · Mathematics 2019-07-08 L. A. Grunwald , I. A. Mednykh

We present a computational approach for generating Markov bases for multi-way contingency tables whose cells counts might be constrained by fixed marginals and by lower and upper bounds. Our framework includes tables with structural zeros…

Computation · Statistics 2014-08-21 Adrian Dobra

Strongly walk regular graphs (SWRGs or $s$-SWRGs) form a natural generalization of strongly regular graphs (SRGs) where paths of length~2 are replaced by paths of length~$s$. They can be constructed as coset graphs of the duals of…

Combinatorics · Mathematics 2025-10-02 Michael Kiermaier , Sascha Kurz , Patrick Solé , Michael Stoll , Alfred Wassermann

We present an elementary way to transform an expander graph into a simplicial complex where all high order random walks have a constant spectral gap, i.e., they converge rapidly to the stationary distribution. As an upshot, we obtain new…

Discrete Mathematics · Computer Science 2019-11-22 Siqi Liu , Sidhanth Mohanty , Elizabeth Yang

We give a simple combinatorial proof of a formula that extends a result by Grigorchuk (rediscovered by Cohen) relating cogrowth and spectral radius of random walks. Our main result is an explicit equation determining the number of `bumps'…

Combinatorics · Mathematics 2008-06-05 Laurent Bartholdi

We study generalized circular chord graphs $\mathcal C^{(k)}_n$, formed from a cycle $C_n$ by adding fixed-offset chords of length $k$ and, for even $n$, diameters. Using transfer matrix methods, we derive exact formulas for 3-colorings…

Combinatorics · Mathematics 2025-09-09 Rogelio N. Lopez-Bonilla , Julian Allagan , Shawn M. Langley , Angel J. Clinton

Let $K$ be an algebraically closed field of characteristic zero and let $G$ be a finitely generated subgroup of the multiplicative group of $K$. We consider $K$-valued sequences of the form $a_n:=f(\varphi^n(x_0))$, where $\varphi\colon…

Number Theory · Mathematics 2021-11-03 Jason P. Bell , Shaoshi Chen , Ehsaan Hossain