Spectral Index Optimization and Machine Learning for Hyperspectral Inversion of Maize Nitrogen Content

Hyperspectral remote sensing provides a powerful tool for crop nutrient monitoring and precision fertilization, yet its application is hindered by high-dimensional redundancy and inter-band collinearity. This study aimed to improve maize nitrogen estimation by constructing three types of two-dimensional full-band spectral indices—Difference Index (DI), Simple Ratio Index (SRI), and Normalized Difference Index (NDI)—combined with spectral preprocessing methods (raw spectra (RAW), first-order derivative (FD), and second-order derivative (SD)). To optimize feature selection, three strategies were evaluated: Grey Relational Analysis (GRA), Pearson Correlation Coefficient (PCC), and Variable Importance in Projection (VIP). These indices were then integrated into machine learning models, including Backpropagation Neural Network (BP), Random Forest (RF), and Support Vector Regression (SVR). Results revealed that spectral index optimization substantially enhanced model performance. NDI consistently demonstrated robustness, achieving the highest grey relational degree (0.9077) under second-derivative preprocessing and improving BP model predictions. PCC-selected features showed superior adaptability in the RF model, yielding the highest test accuracy under raw spectral input (R2 = 0.769, RMSE = 0.0018). VIP proved most effective for SVR, with the optimal SD–VIP–SVR combination attaining the best predictive performance (test R2 = 0.7593, RMSE = 0.0024). Compared with full-spectrum input, spectral index optimization effectively reduced collinearity and overfitting, improving both reliability and generalization. Spectral index optimization significantly improved inversion accuracy. Among the tested pipelines, RAW-PCC-RF demonstrated robust stability across datasets, while SD-VIP-SVR achieved the highest overall validation accuracy (R2 = 0.7593, RMSE = 0.0024). These results highlight the complementary roles of stability and accuracy in defining the optimal pipeline for maize nitrogen inversion. This study highlights the pivotal role of spectral index optimization in hyperspectral inversion of maize nitrogen content. The proposed framework provides a reliable methodological basis for non-destructive nitrogen monitoring, with broad implications for precision agriculture and sustainable nutrient management.