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Fast Computer Search for Trees with Minimal ABC Index Based on Tree Degree Sequences

机译:基于树度序列的具有最小ABC索引的树木快速计算机搜索

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摘要

The atom-bond connectivity (ABC) index of a graph G = (V,E) is defined as ABC(G) = Sigma(vivj is an element of E)root[d(v(i)) + d(v(j)) -2]/[d(v(i))d(v(j))], where d(v(i)) denotes the degree of vertex v(i) of G. This recently introduced molecular structure descriptor found interesting applications in chemistry. However, the problem of characterizing trees with minimal ABC index remains open. In attempts to guess the general structure of such trees, some computer search algorithms were developed. Dimitrov [Appl. Math. Comput. 224 (2013)] presented an algorithm based on tree degree sequences. In this paper we improve this algorithm. Our algorithm generates only less than 2% tree degree sequences, and can find all the n -vertex tree(s) with minimal ABC index for n <= 350 within 8 days. Our search results support Dimitrov's "modulo 7 conjecture" concerning trees with minimal ABC index, and disprove a conjecture we proposed before.
机译:图G =(V,E)的原子键连接性(ABC)索引定义为ABC(G)= Sigma(vivj是E的元素)root [d(v(i))+ d(v( j))-2] / [d(v(i))d(v(j))],其中d(v(i))表示G的顶点v(i)的度。最近引入的分子结构描述符在化学中发现了有趣的应用。然而,表征具有最小ABC指数的树木的问题仍然存在。为了猜测这些树的一般结构,开发了一些计算机搜索算法。 Dimitrov [Appl。数学。计算[224(2013)]提出了一种基于树度序列的算法。在本文中,我们改进了该算法。我们的算法仅生成不到2%的树度序列,并且可以在8天内找到所有n≤350且具有最小ABC索引的n顶点树。我们的搜索结果支持Dimitrov关于具有最小ABC指数的树木的“模7猜想”,并证明了我们之前提出的猜想。

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