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Cluster analysis by simulated annealing

Computers & ChemistryPublished 1 June 1994
Lixian Sun, YuLong Xie, Xin‐Hua Song, Jihong Wang, Ru‐Qin Yu
Citations44

TL;DR

The results show that the algorithm which guaranteed obtaining a global optimum compared favourably with the traditional hierarchical technique and K-means algorithm.

Abstract

The present paper tries to apply a new clustering algorithm based on simulated annealing to chemometric research. A new stopping criterion and perturbation method which are more feasible than those proposed in the literature, are proposed. The algorithm is first tested on simulated data, and then used for the classification of Chinese tea samples. The results show that the algorithm which guaranteed obtaining a global optimum compared favourably with the traditional hierarchical technique and K-means algorithm.

Keywords

ChemistryBiochemistry, Genetics and Molecular BiologyEngineering