Developing an Offshore Machine Learning Surface Layer Scheme

Turbulent fluxes between the surface and the atmosphere are typically parameterized using empirically fit relationships. Here we test machine learning techniques for fitting the relationship for the offshore environment. To do that, data from three offshore sites are used: the Martha's Vineyard Coastal Observatory (MVCO) air-sea interaction tower, the FINO1 research platform, and the CASPER-West FLIP research vessel deployed off the coast of California. Two machine learning methods were employed: Neural Networks (NN) and Random Forests (RF). Because the observational sites had towers with measurements at different levels, the vertical differences were input as gradients. Models were built for both momentum flux and heat flux. ML models trained at the individual sites were competitive with and in some cases, better than the physically-based COARE-3 model tailored to offshore fluxes. The heat flux ML models generally outperformed the physics-based parameterizations for most metrics, but the results were mixed for momentum flux, with only the site with the most training data (MVCO) producing results better than COARE-3. When the ML models from that site were applied to the other sites, results were degraded from using data from the site being tested. ML models built from data combined from the three sites generally showed improvements for the sites with less available training data. When assessing which variables were most important, the wind speed was most important for momentum flux and temperature gradient for heat flux.

AeroMELD: A Linear Embedding of Aerosol Populations for Diagnostics and Latent Dynamics

Accurately representing atmospheric aerosol populations is essential for simulating aerosol-cloud interactions, radiative forcing, and ice nucleation, yet existing reduced schemes impose structural assumptions that limit their ability to capture composition diversity and mixing state. Machine-learning approaches offer more flexible representations, but standard autoencoders do not preserve the mathematical structure of aerosol populations and therefore cannot support physically meaningful process operators. We introduce AeroMELD (Aerosol Measure Embedding for Latent Dynamics), a mathematically grounded framework for constructing low-dimensional latent variables that retain this structure. We show that any permutation-invariant linear encoder must take a scale-shape decomposition, with total number concentration represented explicitly and latent shape given by a barycentric combination of per-particle embeddings. This aggregated latent state retains the diagnostic expressiveness of a Deep Sets model by moving the nonlinear post-aggregation stage into the learned diagnostic map while preserving latent linearity. Using particle-resolved data as ground truth, we encode weighted particle populations directly rather than binned aerosol states; size-resolved mass and number distributions serve only as diagnostic targets and visual summaries. The latent space accurately reconstructs these distributions, CCN spectra, optical coefficients, and immersion-freezing behavior while preserving the linear population structure needed for hybrid ML-physics models. Although the experiments focus on diagnostic reconstruction, the embedding is designed so that emissions and mixing can be represented exactly and nonlinear microphysical processes learned in a controlled latent space. This work establishes a foundation for learning aerosol-process evolution directly in latent space.

Amortized Probabilistic Retrieval of Atmospheric CO2 from OCO-2 Spectra Using Deep Learning with Laplace Approximations and Normalizing Flows

Space-based monitoring of atmospheric carbon dioxide (CO2) is essential for constraining the global carbon budget. NASA's Orbiting Carbon Observatory-2 (OCO-2) estimates column-averaged dry-air mole fractions of CO2 (XCO2) using high-resolution spectra. However, current operational retrieval algorithms are computationally expensive and do not properly quantify uncertainties. We present a novel deep learning framework that addresses these challenges. Due to the difficulties of ground-truth data for real satellite observations, we develop and validate our approach using a high-fidelity simulation dataset. This dataset, created to support OCO-2 uncertainty quantification (UQ), incorporates realistic forward model errors. Our architecture encodes spectral bands using a multi-branch neural network and estimates posteriors of the full CO2 column or desired summaries thereof using two scalable UQ methods: Laplace approximations and normalizing flows. Our approach has five key advantages relative to operational "full-physics" solvers: (1) Amortization: Inference is orders of magnitude faster, enabling real-time processing of massive data streams; (2) Model error robustness: By training on simulations that explicitly include model discrepancies, our method accounts for systematic errors often neglected by standard inversions; (3) Point estimate accuracy: We achieve superior predictive accuracy compared to baseline methods; (4) Improved UQ: The probabilistic outputs yield better-calibrated uncertainty estimates; and (5) Non-Gaussian posteriors: When utilizing normalizing flows, our framework successfully models complex, asymmetric posterior distributions, overcoming the limitations of the Gaussian assumption. These results suggest that simulation-based deep learning is a viable path toward next-generation operational processing systems.