WaveSim: A Wavelet-based Multi-scale Similarity Metric for Weather and Climate Fields

We introduce WaveSim, a multi-scale similarity metric for the evaluation of spatial fields in weather and climate applications. WaveSim exploits wavelet transforms to decompose input fields into scale-specific wavelet coefficients. The metric is built by multiplying three orthogonal components derived from these coefficients: Magnitude, which quantifies similarities in the energy distribution of the coefficients, i.e., the intensity of the field; Displacement, which captures spatial shift by comparing the centers of mass of normalized energy distributions; and Structure, which assesses pattern organization independent of location and amplitude. Each component yields a scale-specific similarity score ranging from 0 (no similarity) to 1 (perfect similarity), which are then combined across scales to produce an overall similarity measure. We first evaluate WaveSim using synthetic test cases, applying controlled spatial and temporal perturbations to systematically assess its sensitivity and expected behavior. We then demonstrate its applicability to physically relevant case studies of key modes of climate variability in Earth System Models. Traditional point-wise metrics lack a mechanism for attributing errors to physical scales or modes of dissimilarity. By operating in the wavelet domain and decomposing the signal along independent axes, WaveSim bypasses these limitations and provides an interpretable and diagnostically rich framework for assessing similarity in complex fields. Additionally, the WaveSim framework allows users to place emphasis on a specific scale or component, and lends itself to user-specific model intercomparison, model evaluation, and calibration and training of forecasting systems. We provide a PyTorch-ready implementation of WaveSim, along with all evaluation scripts, at: https://github.com/gabrieleaccarino/wavesim.

CuMoLoS-MAE: A Masked Autoencoder for Remote Sensing Data Reconstruction

Accurate atmospheric profiles from remote sensing instruments such as Doppler Lidar, Radar, and radiometers are frequently corrupted by low-SNR (Signal to Noise Ratio) gates, range folding, and spurious discontinuities. Traditional gap filling blurs fine-scale structures, whereas deep models lack confidence estimates. We present CuMoLoS-MAE, a Curriculum-Guided Monte Carlo Stochastic Ensemble Masked Autoencoder designed to (i) restore fine-scale features such as updraft and downdraft cores, shear lines, and small vortices, (ii) learn a data-driven prior over atmospheric fields, and (iii) quantify pixel-wise uncertainty. During training, CuMoLoS-MAE employs a mask-ratio curriculum that forces a ViT decoder to reconstruct from progressively sparser context. At inference, we approximate the posterior predictive by Monte Carlo over random mask realisations, evaluating the MAE multiple times and aggregating the outputs to obtain the posterior predictive mean reconstruction together with a finely resolved per-pixel uncertainty map. Together with high-fidelity reconstruction, this novel deep learning-based workflow enables enhanced convection diagnostics, supports real-time data assimilation, and improves long-term climate reanalysis.

PnP-DA: Towards Principled Plug-and-Play Integration of Variational Data Assimilation and Generative Models

Earth system modeling presents a fundamental challenge in scientific computing: capturing complex, multiscale nonlinear dynamics in computationally efficient models while minimizing forecast errors caused by necessary simplifications. Even the most powerful AI- or physics-based forecast system suffer from gradual error accumulation. Data assimilation (DA) aims to mitigate these errors by optimally blending (noisy) observations with prior model forecasts, but conventional variational methods often assume Gaussian error statistics that fail to capture the true, non-Gaussian behavior of chaotic dynamical systems. We propose PnP-DA, a Plug-and-Play algorithm that alternates (1) a lightweight, gradient-based analysis update (using a Mahalanobis-distance misfit on new observations) with (2) a single forward pass through a pretrained generative prior conditioned on the background forecast via a conditional Wasserstein coupling. This strategy relaxes restrictive statistical assumptions and leverages rich historical data without requiring an explicit regularization functional, and it also avoids the need to backpropagate gradients through the complex neural network that encodes the prior during assimilation cycles. Experiments on standard chaotic testbeds demonstrate that this strategy consistently reduces forecast errors across a range of observation sparsities and noise levels, outperforming classical variational methods.

Strictly Constrained Generative Modeling via Split Augmented Langevin Sampling

Deep generative models hold great promise for representing complex physical systems, but their deployment is currently limited by the lack of guarantees on the physical plausibility of the generated outputs. Ensuring that known physical constraints are enforced is therefore critical when applying generative models to scientific and engineering problems. We address this limitation by developing a principled framework for sampling from a target distribution while rigorously satisfying physical constraints. Leveraging the variational formulation of Langevin dynamics, we propose Split Augmented Langevin (SAL), a novel primal-dual sampling algorithm that enforces constraints progressively through variable splitting, with convergence guarantees. While the method is developed theoretically for Langevin dynamics, we demonstrate its effective applicability to diffusion models. In particular, we use constrained diffusion models to generate physical fields satisfying energy and mass conservation laws. We apply our method to diffusion-based data assimilation on a complex physical system, where enforcing physical constraints substantially improves both forecast accuracy and the preservation of critical conserved quantities. We also demonstrate the potential of SAL for challenging feasibility problems in optimal control.

Distilling Machine Learning's Added Value: Pareto Fronts in Atmospheric Applications

While the added value of machine learning (ML) for weather and climate applications is measurable, explaining it remains challenging, especially for large deep learning models. Inspired by climate model hierarchies, we propose that a full hierarchy of Pareto-optimal models, defined within an appropriately determined error-complexity plane, can guide model development and help understand the models' added value. We demonstrate the use of Pareto fronts in atmospheric physics through three sample applications, with hierarchies ranging from semi-empirical models with minimal tunable parameters (simplest) to deep learning algorithms (most complex). First, in cloud cover parameterization, we find that neural networks identify nonlinear relationships between cloud cover and its thermodynamic environment, and assimilate previously neglected features such as vertical gradients in relative humidity that improve the representation of low cloud cover. This added value is condensed into a ten-parameter equation that rivals the performance of deep learning models. Second, we establish a ML model hierarchy for emulating shortwave radiative transfer, distilling the importance of bidirectional vertical connectivity for accurately representing absorption and scattering, especially for multiple cloud layers. Third, we emphasize the importance of convective organization information when modeling the relationship between tropical precipitation and its surrounding environment. We discuss the added value of temporal memory when high-resolution spatial information is unavailable, with implications for precipitation parameterization. Therefore, by comparing data-driven models directly with existing schemes using Pareto optimality, we promote process understanding by hierarchically unveiling system complexity, with the hope of improving the trustworthiness of ML models in atmospheric applications.

ClimSim: An open large-scale dataset for training high-resolution physics emulators in hybrid multi-scale climate simulators

Modern climate projections lack adequate spatial and temporal resolution due to computational constraints. A consequence is inaccurate and imprecise prediction of critical processes such as storms. Hybrid methods that combine physics with machine learning (ML) have introduced a new generation of higher fidelity climate simulators that can sidestep Moore's Law by outsourcing compute-hungry, short, high-resolution simulations to ML emulators. However, this hybrid ML-physics simulation approach requires domain-specific treatment and has been inaccessible to ML experts because of lack of training data and relevant, easy-to-use workflows. We present ClimSim, the largest-ever dataset designed for hybrid ML-physics research. It comprises multi-scale climate simulations, developed by a consortium of climate scientists and ML researchers. It consists of 5.7 billion pairs of multivariate input and output vectors that isolate the influence of locally-nested, high-resolution, high-fidelity physics on a host climate simulator's macro-scale physical state. The dataset is global in coverage, spans multiple years at high sampling frequency, and is designed such that resulting emulators are compatible with downstream coupling into operational climate simulators. We implement a range of deterministic and stochastic regression baselines to highlight the ML challenges and their scoring. The data (https://huggingface.co/datasets/LEAP/ClimSim_high-res) and code (https://leap-stc.github.io/ClimSim) are released openly to support the development of hybrid ML-physics and high-fidelity climate simulations for the benefit of science and society.