Zhao Weixiang, Sankaran Shankar, Ibáñez Ana M, Dandekar Abhaya M, Davis Cristina E
Department of Mechanical and Aeronautical Engineering, One Shields Avenue, University of California, Davis, CA 95616, USA.
Anal Chim Acta. 2009 Aug 4;647(1):46-53. doi: 10.1016/j.aca.2009.05.029. Epub 2009 May 25.
This study introduces two-dimensional (2-D) wavelet analysis to the classification of gas chromatogram differential mobility spectrometry (GC/DMS) data which are composed of retention time, compensation voltage, and corresponding intensities. One reported method to process such large data sets is to convert 2-D signals to 1-D signals by summing intensities either across retention time or compensation voltage, but it can lose important signal information in one data dimension. A 2-D wavelet analysis approach keeps the 2-D structure of original signals, while significantly reducing data size. We applied this feature extraction method to 2-D GC/DMS signals measured from control and disordered fruit and then employed two typical classification algorithms to testify the effects of the resultant features on chemical pattern recognition. Yielding a 93.3% accuracy of separating data from control and disordered fruit samples, 2-D wavelet analysis not only proves its feasibility to extract feature from original 2-D signals but also shows its superiority over the conventional feature extraction methods including converting 2-D to 1-D and selecting distinguishable pixels from training set. Furthermore, this process does not require coupling with specific pattern recognition methods, which may help ensure wide applications of this method to 2-D spectrometry data.
本研究将二维(2-D)小波分析引入到由保留时间、补偿电压和相应强度组成的气相色谱-差分迁移谱(GC/DMS)数据的分类中。一种已报道的处理此类大数据集的方法是通过对保留时间或补偿电压上的强度求和,将二维信号转换为一维信号,但这可能会丢失一个数据维度中的重要信号信息。二维小波分析方法保留了原始信号的二维结构,同时显著减小了数据大小。我们将这种特征提取方法应用于从对照水果和病变水果中测得的二维GC/DMS信号,然后采用两种典型的分类算法来验证所得特征在化学模式识别中的效果。二维小波分析不仅证明了从原始二维信号中提取特征的可行性,而且显示出其优于传统特征提取方法(包括将二维转换为一维以及从训练集中选择可区分像素)的优势,其将对照水果和病变水果样本数据分离的准确率达到了93.3%。此外,该过程不需要与特定的模式识别方法相结合,这可能有助于确保该方法在二维光谱数据中的广泛应用。