Fractional-Order Derivative Spectral Transformations Improved Partial Least Squares Regression Estimation of Photosynthetic Capacity From Hyperspectral Reflectance

Hyperspectral spectroscopy based on partial least squares regression (PLSR) is an effective tool for monitoring plant photosynthesis. Despite their wide applications, the robustness of PLSR models on tracing photosynthetic capacity, which varies considerably among different species and at different times, have been far less explored, leading to doubt about whether hyperspectral information can accurately predict the capacity across different species and temporal changes. Ordinary applications of PLSR generally make use of original or integer-order derivative transformed reflected spectra, but recent advances in spectral analysis have revealed that fractional-order derivative transformed spectra could provide more details of spectral signals. In this study, PLSR models based on fractional-order derivatives coupled with different wavelength selection methods were developed to evaluate whether photosynthetic parameters (Vcmax and Jmax) could be correctly predicted from reflectance spectra. The result indicated that the best PLSR models for the Vcmax and Jmax were obtained based on the sensitive wavelengths selected by stepwise regression using the fractional orders of 1.25 and 1.60, respectively. The optimal PLSR models were able to capture the temporal variabilities of Vcmax and Jmax with the R ² of 0.62-0.94 and 0.65-0.85, for which the 1605-1845 nm region was consistently used. Meanwhile, these PLSR models have the ability to capture the variations in different species, plant functional types, and biomes. The findings of this study demonstrate that leaf spectra can be successfully used for the timely prediction of variable photosynthetic capacity and provide the fundamentals for monitoring and mapping plant functions from reflected information.