Prediction of soluble solids content using near-infrared spectra and optical properties of intact apple and pulp applying PLSR and CNN

Soluble solids content (SSC) is one of the most important internal quality attributes of fruit and could be predicted using near-infrared (NIR) spectra and optical properties. Partial least squares regression (PLSR) is a conventional regression method in SSC prediction. In recent years, deep learning methods represented by convolutional neural network (CNN) was suggested to be implied in spectral analysis. However, researchers are inevitably facing problems with regard to the selection of spectral pretreatment methods and the evaluation of the performance of the chosen regression. This study employed PLSR and CNN regression to predict SSC of apple based on the collected diffuse reflectance spectra of intact apple, total reflectance and total transmittance spectra of apple pulp, and the calculated optical property spectra, i.e., absorption coefficient and reduced scattering coefficient spectra of apple pulp. Five different spectral pretreatment methods were exerted on these spectra. Results showed that at a given regression (PLSR or CNN), the built models based on the diffuse reflectance spectra of intact apple had the best SSC prediction, and the built models based on pulp's reduced scattering coefficient spectra had the poorest prediction performance. The best prediction performance was achieved by PLSR models using Savitzky-Golay with multiple scattering correction (Rp = 0.96, RMSEP = 0.54 %) and CNN regressions using Savitzky-Golay with standard normal variational transformation (Rp = 0.95, RMSEP = 0.59 %), respectively. Additionally, when the unknown original spectra were used for modeling, CNN had a better performance compared to PLSR, indicating the outstanding preponderance of CNN in spectral analysis. This study provides an effective reference for the selection of chemometric method based on NIR spectra.