Selecting informative bands for partial least squares regressions improves their goodness-of-fits to estimate leaf...

The plant photosynthetic capacity determines the photosynthetic rates of the terrestrial biosphere. Timely approaches to obtain the spatiotemporal variations of the photosynthetic parameters are urgently needed to grasp the gas exchange rhythms of the terrestrial biosphere. While partial least squares regression (PLSR) is a promising way to predict the photosynthetic parameters maximum carboxylation rate (V_cmax) and maximum electron transport rate (J_max) rapidly and non-destructively from hyperspectral data, the approach, however, faces a high risk of overfitting and remains a high hurdle for applications. In this study, we propose to incorporate proper band selection techniques for PLSR analysis to refine the goodness-of-fit (GoF) in estimating V_cmax and J_max. Different band selection procedures coupled with different hyperspectral forms (reflectance, apparent absorption, as well as derivatives) were examined. Our results demonstrate that the GoFs of PLSR models could be greatly improved by combining proper band selection methods (especially the iterative stepwise elimination approach) rather than using full bands as commonly done with PLSR. The results also show that the 1st order derivative spectra had a balance between accuracy (R² = 0.80 for V_cmax, and 0.94 for J_max) and denoising (when a Gaussian noise was added to each leaf reflectance spectrum at each wavelength with a standard deviation of 1%) on retrieving photosynthetic parameters from hyperspectral data. Our results clearly illustrate the advantage of using the band selection approach for PLSR dimensionality reduction and model optimization, highlighting the superiority of using derivative spectra for V_cmax and J_max estimations, which should provide valuable insights for retrieving photosynthetic parameters from hyperspectral remotely sensed data.