Inversion of simulated positron annihilation lifetime spectrum using a neural network

被引:17
作者
Viterbo, VC
Braga, JP [1 ]
Braga, AP
de Almeida, MB
机构
[1] Univ Fed Minas Gerais, Dept Quim, ICEx, BR-31270901 Belo Horizonte, MG, Brazil
[2] Univ Fed Minas Gerais, Dept Elect Engn, EEUFMG, BR-31270901 Belo Horizonte, MG, Brazil
来源
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES | 2001年 / 41卷 / 02期
关键词
D O I
10.1021/ci0000833
中图分类号
O6 [化学];
学科分类号
0703 [化学];
摘要
Inversion of positron annihilation lifetime spectroscopy, based on a neural network Hopfield model, is presented in this paper. From a previous reported density function for lysozyme in water a simulated spectrum; without the superposition of statistical fluctuation and spectrometer resolution effects, was generated. These results were taken as the exact results from which the neural network was trained. The precision of the inverted density function was analyzed taking into account the number of neurons and the learning time of the neural network. A fair agreement was obtained when comparing the neural network results with the exact results. For example, the maximum of the density function, with a precision of 0.4% for the percentual relative error, was obtained for 64 neurons.
引用
收藏
页码:309 / 313
页数:5
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