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应用遗传算法在FTIR图谱库中进行谱图检索 被引量:4

Using Genetic Algorithms to Search Spectra in Standard Spectra Database
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摘要 本文应用遗传算法在PC机上 ,WINDOWS操作系统下进行纯谱图的检索工作。使用了较简单的目标函数和选择函数 ,采用了自适应变异技术。为了避免局部优化的产生 ,在计算过程中的特定条件下引入新的染色体 ,并利用最佳个体的适应度用做收敛的判据。研究结果表明 ,即使是对较低浓度、峰形不尖锐的有机化合物来说 ,也可得到较好的检索结果。 Genetic algorithms are used as a tool to search pure spectrum in toxic organic gases spectra database in this paper. A simple objective function and the function of probability of selection a-re used here. Adaptive mutation technique is added to the process. In order to avoid partial optimization, some new chromosomes are introduced in the process of calculation under a certain condition. The fitness value of the best individual is performed as convergent judgement. The program is written in FORTRAN and runs on Microsoft Windows operating platform in personal computer. The good search results are obtained for some organic compounds, particularly which have low concentrations and unsharp absorption peaks. The results prove that the method using genetic algorithms to search pure spectrum in spectra database is simple and accurate.
作者 刘芳 王俊德
出处 《光谱学与光谱分析》 SCIE EI CAS CSCD 北大核心 2002年第2期239-240,共2页 Spectroscopy and Spectral Analysis
基金 国家自然科学基金资助项目 (No .2 0 1 750 0 8)
关键词 傅里叶变换红外光谱 图谱库 遗传算法 FTIR 谱图检索 genetic algorithms FTIR spectra search
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