Towards Optimal Variable Selection Methods for Soil Property Prediction Using a Regional Soil Vis-NIR Spectral Library

Abstract

Soil visible and near-infrared (Vis-NIR, 350–2500 nm) spectroscopy has been proven as an alternative to conventional laboratory analysis due to its advantages being rapid, cost-effective, non-destructive and environmentally friendly. Different variable selection methods have been used to deal with the high redundancy, heavy computation, and model complexity of using full spectra in spectral modelling. However, most previous studies used a linear algorithm in the variable selection, and the application of a non-linear algorithm remains poorly explored. To address the current knowledge gap, based on a regional soil Vis-NIR spectral library (1430 soil samples), we evaluated seven variable selection algorithms together with three predictive algorithms in predicting seven soil properties. Our results showed that Cubist overperformed partial least squares regression (PLSR) and random forests (RF) in most soil properties (R2 > 0.75 for soil organic matter, total nitrogen and pH) when using the full spectra. Most of variable selection can greatly reduce the number of spectral bands and therefore simplified predictive models without losing accuracy. The results also showed that there was no silver bullet for the optimal variable selection algorithm among different predictive algorithms: (1) competitive adaptive reweighted sampling (CARS) always performed best for the PLSR algorithm, followed by forward recursive feature selection (FRFS); (2) recursive feature elimination (RFE) and genetic algorithm (GA) generally had better accuracy than others for the Cubist algorithm; and (3) FRFS had the best model performance for the RF algorithm. In addition, the performance was generally better when the algorithm used in the variable selection matched the predictive algorithm. The outcome of this study provides a valuable reference for predicting soil information using spectroscopic techniques together with variable selection algorithms.