Using pXRF and vis-NIR spectra for predicting properties of soils developed in loess

Abstract

Visible near-infrared (vis-NIR) and portable X-ray fluorescence (pXRF) spectrometers have been increasingly utilized for predicting soil properties worldwide. However, only a few studies have focused on splitting the predictive models by horizons to evaluate prediction performance and systematically compare prediction performance for A, B, and combined A+B horizons. Therefore, we investigated the performance of pXRF and vis-NIR spectra, as individual or combined, for predicting the clay, silt, sand, total carbon (TC), and pH of soils developed in loess, and compared their prediction performance for A, B, and A+B horizons. Soil samples (176 in A horizon and 172 in B horizon) were taken from Mollisols and Alfisols in 136 pedons in Wisconsin, USA and analyzed for clay, silt, sand, pH, and TC. The pXRF and vis-NIR spectrometers were used to measure the pXRF and vis-NIR soil spectra. Data were separated into calibration (n = 244, 70%) and validation (n = 104, 30%) datasets. The Savitzky-Golay filter was applied to preprocess the pXRF and vis-NIR spectra, and the first 10 principal components (PCs) were selected through principal component analysis (PCA). Five types of predictor, i.e., PCs from vis-NIR spectra, pXRF of beams at 0–40 and 0–10 keV (XRF40 and XRF10, respectively) spectra, combined XRF40 and XRF10 (XRF40+XRF10) spectra, and combined XRF40, XRF10, and vis-NIR (XRF40+XRF10+vis-NIR) spectra, were compared for predicting soil properties using a machine learning algorithm (Cubist model). A multiple linear regression (MLR) model was applied to predict clay, silt, sand, pH, and TC using pXRF elements. The results suggested that pXRF spectra had better prediction performance for clay, silt, and sand, whereas vis-NIR spectra produced better TC and pH predictions. The best prediction performance for sand (R2= 0.97), silt (R2= 0.95), and clay (R2= 0.84) was achieved using vis-NIR+XRF40+XRF10 spectra in B horizon, whereas the best prediction performance for TC (R2= 0.93) and pH (R2= 0.79) was achieved using vis-NIR+XRF40+XRF10 spectra in A+B horizon. For all soil properties, the best MLR model had a lower prediction accuracy than the Cubist model. It was concluded that pXRF and vis-NIR spectra can be successfully applied for predicting clay, silt, sand, pH, and TC with high accuracy for soils developed in loess, and that spectral models should be developed for different horizons to achieve high prediction accuracy.