研究目的
To tackle the nonlinearity problem in PLS-R while improving the interpretability of the model, by combining aspects from cluster-based modeling and variable-selection algorithms.
研究成果
SAO-PLS provides a more descriptive approach to deal with nonlinearities in chemometric analysis of spectral–chemical data, producing informative spectral assignment products and increasing the potential of fruitful interpretability. It also increases the prediction accuracy for the models.
研究不足
The paper does not illustrate how SAO-PLS may be used in practice for new samples, requiring an additional step of assigning each new sample to a cluster based on spectral data.
1:Experimental Design and Method Selection:
The SAO-PLS algorithm segments the data in an optimal location on the response distribution by maximizing the difference in spectral assignments between two clusters.
2:Sample Selection and Data Sources:
Two test cases were used: an established data set containing airborne hyperspectral data of asphaltic roads and a soil spectral library.
3:List of Experimental Equipment and Materials:
Airborne hyperspectral IS SPECIM AISA FENIX 1K for spectral data acquisition and an analytical spectral device spectrometer for soil spectral measurements.
4:Experimental Procedures and Operational Workflow:
The SAO-PLS algorithm iteratively separates the data into two clusters based on the response variable, develops PLS-R models for each cluster, and calculates the VIP spectral assignment product.
5:Data Analysis Methods:
The difference between the two VIP products is determined using a spectral angle mapper (SAM) algorithm.
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