Variable Neighborhood Search for Extremal Graphs. 2. Finding Graphs with Extremal Energy
作者： Gilles Caporossi , Dragoš Cvetković , Ivan Gutman , Pierre Hansen
DOI: 10.1021/CI9801419
关键词:
摘要: The recently developed Variable Neighborhood Search (VNS) metaheuristic for combinatorial and global optimization is outlined together with its specialization to the problem of finding extremal graphs respect one or more invariants corresponding program (AGX). We illustrate potential VNS algorithm on example energy E, a graph invariant which (in case molecular conjugated hydrocarbons) corresponds total π-electron energy. Novel lower upper bounds E are suggested by AGX several conjectures concerning (molecular) values put forward. Moreover, most proved hold.
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