小波变换_分段直接校正法_模型传递_近红外光谱_

小波变换分段直接校正法用于近红外光谱模型传递研究

http://www.100md.com 《分析化学》 2006年第7期

小波变换,分段直接校正法,模型传递,近红外光谱,,小波变换，分段直接校正法，模型传递，近红外光谱,摘要,关键词,1引言,2小波变换分段直接校

     摘要 提出了一种新的传递算法(WTPDS)——小波变换分段直接校正法，并详细讨论了模型传递参数和传递结果。首先利用小波变换对光谱进行压缩处理，采用PDS算法消除不同仪器之间压缩数据的差异，最后利用经校正的压缩数据进行分析，实现模型传递。本方法能够扣除不同仪器之间的大部分差异，大幅度改善分析精度。传递后模型分析精度与源机模型稳健性紧密相关。如果源机模型稳健性强，则能够实现不同仪器之间的共享。本方法能够实现源机的0＃轻柴十六烷值、凝点、馏出温度；10＃轻柴十六烷值、凝点以及10＃军柴凝点和馏出温度共10个模型在5台仪器之间共享，简化了建模的成本。与传统的PDS相比，WTPDS方法具有传递和建模变量少、速度快、光谱校正性能高等优点，而其模型分析精度与传统PDS基本一致。

     关键词 小波变换，分段直接校正法，模型传递，近红外光谱

    Application of Wavelet TransformPiecewise Direct Standardization on the Near Infrared Analysis Model Transfer

    Tian Gaoyou, Chu Xiaoli, Yuan Hongfu, Lu Wanzhen

    (Beijing Petroloil and Lubricants Institute， Beijing 102300)

    (Research Institute of Petroleum Processing, Beijing 100083)

    Abstract This study proposes a new algorithm, wavelet transformpiecewise direct standardization (WTPDS), used for model transfer in near infrared (NIR) analysis. Wavelet transform (WT) is conducted to compress NIR data and then piecewise direct standardization (PDS) algorithm is applied to correct compressed NIR data differences between instruments. WTPDS is based on linear algorithm and can well correct the linear differences between instruments and improve analytical accuracy greatly. The precise of slave model transferred by WTPDS depends in part on the robustness of master model. Several models of master instruments, such as cetane numbers, solidification point, distillation temperature of 0# light diesel, cetane number, solidification point of -10# light diesel and solidification point, distillation temperature of -10# military diesel can be transferred and used in four slave instruments. The small variables of WTPDS can reduce time of model transferring and building, without deterioration of analytical accuracy. The performance of WTPDS is better than that of traditional method, classical pitcewise direct standardization (CPDS) in NIR spectra correction. ......

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