Physically-based radiative transfer models (RTMs) help understand the interactions of radiation with vegetation and atmosphere. However, advanced RTMs can be computationally burdensome, which makes them impractical in many real applications, especially when many state conditions and model couplings need to be studied. To overcome this problem, it is proposed to substitute RTMs through surrogate meta-models also named emulators. Emulators approximate the functioning of RTMs through statistical learning regression methods, and can open many new applications because of their computational efficiency and outstanding accuracy. Emulators allow fast global sensitivity analysis (GSA) studies on advanced, computationally expensive RTMs. As a proof-of-concept, three machine learning regression algorithms (MLRAs) were tested to function as emulators for the leaf RTM PROSPECT-4, the canopy RTM PROSAIL, and the computationally expensive atmospheric RTM MODTRAN5. Selected MLRAs were: kernel ridge regression (KRR), neural networks (NN) and Gaussian processes regression (GPR). For each RTM, 500 simulations were generated for training and validation. The majority of MLRAs were excellently validated to function as emulators with relative errors well below 0.2%. The emulators were then put into a GSA scheme and compared against GSA results as generated by original PROSPECT-4 and PROSAIL runs. NN and GPR emulators delivered identical GSA results, while processing speed compared to the original RTMs doubled for PROSPECT-4 and tripled for PROSAIL. Having the emulator-GSA concept successfully tested, for six MODTRAN5 atmospheric transfer functions (outputs), i.e., direct and diffuse at-surface solar irradiance ( $E_{dif}$ , $E_{dir}$ ), direct and diffuse upward transmittance ( $T_{dir}$ , $T_{dif}$ ), spherical albedo (S) and path radiance ( $L_0$ ), the most accurate MLRA’s were subsequently applied as emulator into the GSA scheme. The sensitivity analysis along the 400–2500 nm spectral range took no more than a few minutes on a contemporary computer—in comparison, the same analysis in the original MODTRAN5 would have taken over a month. Key atmospheric drivers were identified, which are on the one hand aerosol optical properties, i.e., aerosol optical thickness (AOT), Angstrom coefficient (AMS) and scattering asymmetry variable (G), mostly driving diffuse atmospheric components, $E_{dif}$ and $T_{dif}$ ; and those affected by atmospheric scattering, $L_0$ and S. On the other hand, as expected, AOT, AMS and columnar water vapor (CWV) in the absorption regions mostly drive $E_{dir}$ and $T_{dir}$ atmospheric functions. The presented emulation schemes showed very promising results in replacing costly RTMs, and we think they can contribute to the adoption of machine learning techniques in remote sensing and environmental applications.

The FLuorescence EXplorer (FLEX) mission, selected as the European Space Agency's eighth Earth Explorer, aims to globally measure the sun-induced-chlorophyll-fluorescence spectral emission from terrestrial vegetation. In the frame of the FLEX mission, several industrial and scientific studies have analyzed the instrument design, image processing algorithms, or modeling aspects. At the same time, a common tool is needed to address the overall FLEX mission performance by combining all these features. For this reason, an end-to-end mission performance simulator has been developed for the FLEX mission (FLEX-E). This paper describes the FLEX-E software design, which combines the generation of complex synthetic scenes with an advanced modeling of the instrument behavior and the full processing scheme up to the final fluorescence product. The results derived from FLEX-E simulations indicate that the instrument and developed image processing algorithms are able to retrieve the sun-induced fluorescence with an accuracy below the 0.2 $\text{mW}\cdot\text{m}^{-2}\cdot\text{sr}^{-1}\cdot \text{nm}^{-1}$ mission requirement. It is expected that FLEX-E will not only optimize the FLEX retrieval algorithms and technical requirements, but also serve as the baseline for the ground processing implementation and testing of calibration/validation procedures.

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.

Estimates of Sun–Induced vegetation chlorophyll Fluorescence (SIF) using remote sensing techniques are commonly determined by exploiting solar and/or telluric absorption features. When SIF is retrieved in the strong oxygen (O ${}_2$ ) absorption features, atmospheric effects must always be compensated. Whereas correction of atmospheric effects is a standard airborne or satellite data processing step, there is no consensus regarding whether it is required for SIF proximal–sensing measurements nor what is the best strategy to be followed. Thus, by using simulated data, this work provides a comprehensive analysis about how atmospheric effects impact SIF estimations on proximal sensing, regarding: (1) the sensor height above the vegetated canopy; (2) the SIF retrieval technique used, e.g., Fraunhofer Line Discriminator (FLD) family or Spectral Fitting Methods (SFM); and (3) the instrument’s spectral resolution. We demonstrate that for proximal–sensing scenarios compensating for atmospheric effects by simply introducing the O ${}_2$ transmittance function into the FLD or SFM formulations improves SIF estimations. However, these simplistic corrections still lead to inaccurate SIF estimations due to the multiplication of spectrally convolved atmospheric transfer functions with absorption features. Consequently, a more rigorous oxygen compensation strategy is proposed and assessed by following a classic airborne atmospheric correction scheme adapted to proximal sensing. This approach allows compensating for the O ${}_2$ absorption effects and, at the same time, convolving the high spectral resolution data according to the corresponding Instrumental Spectral Response Function (ISRF) through the use of an atmospheric radiative transfer model. Finally, due to the key role of O ${}_2$ absorption on the evaluated proximal–sensing SIF retrieval strategies, its dependency on surface pressure (p) and air temperature (T) was also assessed. As an example, we combined simulated spectral data with p and T measurements obtained for a one–year period in the Hyytiälä Forestry Field Station in Finland. Of importance hereby is that seasonal dynamics in terms of T and p, if not appropriately considered as part of the retrieval strategy, can result in erroneous SIF seasonal trends that mimic those of known dynamics for temperature–dependent physiological responses of vegetation.