Institute for Earth System Science and Remote Sensing, Leipzig University, Germany, Center for Scalable Data Analytics and Artificial Intelligence, Mila Quebec AI Institute, Canada
Abstract:Hyperspectral reflectance spectroscopy enables non-destructive estimation of plant functional traits, yet current deep learning approaches process spectra as one-dimensional sequences, which limits how they capture long-range inter-band dependencies. We asked whether transforming 1D spectra into 2D image representations improves multi-trait prediction with convolutional neural networks (CNN). We compared nine transformations using EfficientNet-B0 on the GreenHyperSpectra dataset (7,897 labeled spectra, eight traits, 400-2450 nm), benchmarked against published 1D CNN results on the same split. Trained from scratch, the simplest transformation, a direct Reshape of the spectrum into a 2D grid, performed best ($R^2 = 0.684 \pm 0.001$) and improved on the state-of-the-art 1D baseline ($R^2 = 0.587$, $+0.097$). We then pretrained a 2D masked autoencoder (MAE-2D) on 139,000 unlabeled spectral images. Linear probing, which freezes the encoder and trains only a multilayer perceptron head, reached $R^2 = 0.646$ and exceeded every 1D self-supervised counterpart, including the fine-tuned MAE-1D ($R^2 = 0.641$). Under cross-dataset evaluation all models lost most of their accuracy and none beat the 1D baseline significantly. To identify which wavelengths drive each prediction, we applied Integrated Gradients and Grad-CAM and unfolded band importance back to the spectral axis. Protein ($r = 0.45$) and leaf water ($r = 0.33$) agreed with sensitivities simulated by the PROSAIL radiative-transfer model, while carotenoids ($r = 0.06$) and leaf area index ($r = -0.11$) did not, showing that the model reads established leaf chemistry for traits with sharp absorption features. The representational advantage of 2D spectral images, rather than architectural complexity or ImageNet pretraining, drives the gain over 1D approaches.
Abstract:Plant traits such as leaf carbon content and leaf mass are essential variables in the study of biodiversity and climate change. However, conventional field sampling cannot feasibly cover trait variation at ecologically meaningful spatial scales. Machine learning represents a valuable solution for plant trait prediction across ecosystems, leveraging hyperspectral data from remote sensing. Nevertheless, trait prediction from hyperspectral data is challenged by label scarcity and substantial domain shifts (\eg across sensors, ecological distributions), requiring robust cross-domain methods. Here, we present GreenHyperSpectra, a pretraining dataset encompassing real-world cross-sensor and cross-ecosystem samples designed to benchmark trait prediction with semi- and self-supervised methods. We adopt an evaluation framework encompassing in-distribution and out-of-distribution scenarios. We successfully leverage GreenHyperSpectra to pretrain label-efficient multi-output regression models that outperform the state-of-the-art supervised baseline. Our empirical analyses demonstrate substantial improvements in learning spectral representations for trait prediction, establishing a comprehensive methodological framework to catalyze research at the intersection of representation learning and plant functional traits assessment. All code and data are available at: https://github.com/echerif18/HyspectraSSL.