Sara Shamekh

Sungduk Yu, Zeyuan Hu, Akshay Subramaniam et al.

Modern climate projections lack adequate spatial and temporal resolution due to computational constraints, leading to inaccuracies in representing critical processes like thunderstorms that occur on the sub-resolution scale. Hybrid methods combining physics with machine learning (ML) offer faster, higher fidelity climate simulations by outsourcing compute-hungry, high-resolution simulations to ML emulators. However, these hybrid ML-physics simulations require domain-specific data and workflows that have been inaccessible to many ML experts. As an extension of the ClimSim dataset (Yu et al., 2024), we present ClimSim-Online, which also includes an end-to-end workflow for developing hybrid ML-physics simulators. The ClimSim dataset includes 5.7 billion pairs of multivariate input/output vectors, capturing the influence of high-resolution, high-fidelity physics on a host climate simulator's macro-scale state. The dataset is global and spans ten years at a high sampling frequency. We provide a cross-platform, containerized pipeline to integrate ML models into operational climate simulators for hybrid testing. We also implement various ML baselines, alongside a hybrid baseline simulator, to highlight the ML challenges of building stable, skillful emulators. The data (https://huggingface.co/datasets/LEAP/ClimSim_high-res) and code (https://leap-stc.github.io/ClimSim and https://github.com/leap-stc/climsim-online) are publicly released to support the development of hybrid ML-physics and high-fidelity climate simulations.

Tom Beucler, Arthur Grundner, Sara Shamekh et al.

The added value of machine learning for weather and climate applications is measurable through performance metrics, but explaining it remains challenging, particularly 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 parameters to deep learning algorithms. 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 deep learning models. Second, we establish a machine learning 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 machine learning models in atmospheric applications.

Gabriele Accarino, Juan Nathaniel, Carla Roesch et al.

Accurate emulation of multi-scale physical systems governed by PDEs demands models that remain stable over long autoregressive rollouts while preserving fine-scale structures. Deterministic emulators produce overly-smoothed predictions, while generative approaches better capture details but are costly. Latent-space generative models have emerged as a compromise but with the additional cost of separately pre-trained autoencoders. We propose Wavelet Flow Matching (WFM), a novel generative emulator that overcomes current trade-offs between cost and skill by performing optimal-transport directly in the multi-scale wavelet space. Rather than learning a latent compression, WFM leverages the hierarchical structure of a U-Net to jointly predict transport velocities of a prescribed wavelet representation. On three challenging systems of chaotic fluid dynamics, WFM achieves superior long-horizon stability, accuracy and spectral coherence compared to state-of-the-art models. Our results clearly position the wavelet space as an effective training-free representation for generative emulation of complex physical dynamics.

Savannah L. Ferretti, Jerry Lin, Sara Shamekh et al.

Machine learning models can represent climate processes that are nonlocal in horizontal space, height, and time, often by combining information across these dimensions in highly nonlinear ways. While this can improve predictive skill, it makes learned relationships difficult to interpret and prone to overfitting as the extent of nonlocal information grows. We address this challenge by introducing data-driven integration kernels, a framework that adds structure to nonlocal operator learning by explicitly separating nonlocal information aggregation from local nonlinear prediction. Each spatiotemporal predictor field is first integrated using learnable kernels (defined as continuous weighting functions over horizontal space, height, and/or time), after which a local nonlinear mapping is applied only to the resulting kernel-integrated features and any optional local inputs. This design confines nonlinear interactions to a small set of integrated features and makes each kernel directly interpretable as a weighting pattern that reveals which horizontal locations, vertical levels, and past timesteps contribute most to the prediction. We demonstrate the framework for South Asian monsoon precipitation using a hierarchy of neural network models with increasing structure, including baseline, nonparametric kernel, and parametric kernel models. Across this hierarchy, kernel-based models achieve near-baseline performance with far fewer trainable parameters, showing that much of the relevant nonlocal information can be captured through a small set of interpretable integrations when appropriate structural constraints are imposed.

Gabriele Accarino, Viviana Acquaviva, Sara Shamekh et al.

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.

Matthieu Blanke, Yongquan Qu, Sara Shamekh et al.

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.

Anurup Naskar, Nathanael Zhixin Wong, Sara Shamekh

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.

Yongquan Qu, Matthieu Blanke, Sara Shamekh et al.

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.