Yh. Qi et L. Xu, Classification of valence changes of trivalent rare earth ions in alkalineearth borates using artificial neural networks, CHEM INTELL, 45(1-2), 1999, pp. 287-293
The investigations of classification on the valence changes from RE3+ to RE
2+ (RE = Eu, Sm, Yb, Tm) in host compounds of alkaline earth berate were pe
rformed using artificial neural networks (ANNs). For comparison, the common
methods of pattern recognition, such as SIMCA, KNN, Fisher discriminant an
alysis and stepwise discriminant analysis were adopted. A learning set cons
isting of 24 host compounds and a test set consisting of 12 host compounds
were characterized by eight crystal structure parameters. These parameters
were reduced from 8 to 4 by leaps and bounds algorithm. The recognition rat
es from 87.5 to 95.8% and prediction capabilities from 75.0 to 91.7% were o
btained. The results provided by ANN method were better than that achieved
by the other four methods. (C) 1999 Elsevier Science B.V. All rights reserv
ed.