Knowledge of key variables driving the top of the atmosphere (TOA) radiance over a vegetated surface is an important step to derive biophysical variables from TOA radiance data, e.g., as observed by an optical satellite. Coupled leaf-canopy-atmosphere Radiative Transfer Models (RTMs) allow linking vegetation variables directly to the at-sensor TOA radiance measured. Global Sensitivity Analysis (GSA) of RTMs enables the computation of the total contribution of each input variable to the output variance. We determined the impacts of the leaf-canopy-atmosphere variables into TOA radiance using the GSA to gain insights into retrievable variables. The leaf and canopy RTM PROSAIL was coupled with the atmospheric RTM MODTRAN5. Because of MODTRAN’s computational burden and GSA’s demand for many simulations, we first developed a surrogate statistical learning model, i.e., an emulator, that allows approximating RTM outputs through a machine learning algorithm with low computation time. A Gaussian process regression (GPR) emulator was used to reproduce lookup tables of TOA radiance as a function of 12 input variables with relative errors of 2.4%. GSA total sensitivity results quantified the driving variables of emulated TOA radiance along the 400–2500 nm spectral range at 15 cm − 1 (between 0.3–9 nm); overall, the vegetation variables play a more dominant role than atmospheric variables. This suggests the possibility to retrieve biophysical variables directly from at-sensor TOA radiance data. Particularly promising are leaf chlorophyll content, leaf water thickness and leaf area index, as these variables are the most important drivers in governing TOA radiance outside the water absorption regions. A software framework was developed to facilitate the development of retrieval models from at-sensor TOA radiance data. As a proof of concept, maps of these biophysical variables have been generated for both TOA (L1C) and bottom-of-atmosphere (L2A) Sentinel-2 data by means of a hybrid retrieval scheme, i.e., training GPR retrieval algorithms using the RTM simulations. Obtained maps from L1C vs L2A data are consistent, suggesting that vegetation properties can be directly retrieved from TOA radiance data given a cloud-free sky, thus without the need of an atmospheric correction.

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Retrieval of vegetation properties from satellite and airborne optical data usually takes place after atmospheric correction, yet it is also possible to develop retrieval algorithms directly from top-of-atmosphere (TOA) radiance data. One of the key vegetation variables that can be retrieved from at-sensor TOA radiance data is leaf area index (LAI) if algorithms account for variability in atmosphere. We demonstrate the feasibility of LAI retrieval from Sentinel-2 (S2) TOA radiance data (L1C product) in a hybrid machine learning framework. To achieve this, the coupled leaf-canopyatmosphere radiative transfer models PROSAIL-6S were used to simulate a look-up table (LUT) of TOA radiance data and associated input variables. This LUT was then used to train the Bayesian machine learning algorithms Gaussian processes regression (GPR) and variational heteroscedastic GPR (VHGPR). PROSAIL simulations were also used to train GPR and VHGPR models for LAI retrieval from S2 images at bottom-of-atmosphere (BOA) level (L2A product) for comparison purposes. The BOA and TOA LAI products were consistently validated against a field dataset with GPR (R 2 of 0.78) and with VHGPR (R 2 of 0.80) and for both cases a slightly lower RMSE for the TOA LAI product. Because of delivering superior accuracies and lower uncertainties, VHGPR was further applied for LAI mapping using S2 acquisitions over the agricultural sites Marchfeld (Austria) and Barrax (Spain). The VHGPR models led to consistent LAI maps at BOA and TOA scale. The LAI maps were also compared against LAI maps as generated by the SNAP toolbox, which is based on a neural network (NN). Maps were again consistent, however the SNAP NN algorithm tend to overestimate over dense vegetation cover. Overall, this study demonstrated that hybrid LAI retrieval algorithms can be developed from TOA radiance data given a cloud-free sky, thus without the need of atmospheric correction. To the benefit of the community, the development of such hybrid algorithms for the retrieval vegetation properties from BOA or TOA images has been streamlined in the freely downloadable ALG-ARTMO software framework.

Vegetation indices (VIs) are widely used in optical remote sensing to estimate biophysical variables of vegetated surfaces. With the advent of spectroscopy technology, spectral bands can be combined in numerous ways to extract the desired information. This resulted in a plethora of proposed indices, designed for a diversity of applications and research purposes. However, it is not always clear whether they are sensitive to the variable of interest while at the same time, responding insensitive to confounding factors. Hence, to be able to quantify the robustness of VIs, a systematic evaluation is needed, thereby introducing a widest possible variety of biochemical and structural heterogeneity. Such exercise can be achieved with coupled leaf and canopy radiative transfer models (RTMs), whereby input variables can virtually simulate any vegetation scenario. With the intention of evaluating multiple VIs in an efficient way, this led us to the development of a global sensitivity analysis (GSA) toolbox dedicated to the analysis of VIs on their sensitivity towards RTM input variables. We identified VIs that are designed to be sensitive towards leaf chlorophyll content (LCC), leaf water content (LWC) and leaf area index (LAI) for common sensors of terrestrial Earth observation satellites: Landsat 8, MODIS, Sentinel-2, Sentinel-3 and the upcoming imaging spectrometer mission EnMAP. The coupled RTMs PROSAIL and PROINFORM were used for simulations of homogeneous and forest canopies respectively. GSA total sensitivity results suggest that LCC-sensitive indices respond most robust: for the great majority of scenarios, chlorophyll a + b content (Cab) drives between 75% and 82% of the indices’ variability. LWC-sensitive indices were most affected by confounding variables such as Cab and LAI, although the equivalent water thickness (Cw) can drive between 25% and 50% of the indices’ variability. Conversely, the majority of LAI-sensitive indices are not only sensitive to LAI but rather to a mixture of structural and biochemical variables.