Hongmin Sun, Fanze Kong, Cheng Xiu, Weizheng Shen, Yan Wang
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A Progressive Combined Variable Selection Method for Near-Infrared Spectral Analysis Based on Three-Step Hybrid Strategy
A specific variable selection method was proposed based on a three-step hybrid strategy for near-infrared spectral analysis. By analyzing functions of each step and characteristics of various variable selection methods, synergy interval partial least squares, iterative variable subset optimization, and bootstrapping soft shrinkage were chosen for three steps. To test the effect of the three-step hybrid method, it was applied to corn and soil spectral data and compared to other common methods. Results for oil content in corn data showed that the three-step hybrid variable selection method selected 1% variables of full spectrum, calibration determination coefficient, and prediction determination coefficient reached 0.998 and 0.993 where the explained variance was increased by 27.30%. It could effectively extract variables related to the tested substance and provide a new variable selection method for near-infrared spectral analysis.
期刊介绍:
Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance.
Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.