OceanNet: A principled neural operator-based digital twin for regional oceans

While data-driven approaches demonstrate great potential in atmospheric modeling and weather forecasting, ocean modeling poses distinct challenges due to complex bathymetry, land, vertical structure, and flow non-linearity. This study introduces OceanNet, a principled neural operator-based digital twin for ocean circulation. OceanNet uses a Fourier neural operator and predictor-evaluate-corrector integration scheme to mitigate autoregressive error growth and enhance stability over extended time scales. A spectral regularizer counteracts spectral bias at smaller scales. OceanNet is applied to the northwest Atlantic Ocean western boundary current (the Gulf Stream), focusing on the task of seasonal prediction for Loop Current eddies and the Gulf Stream meander. Trained using historical sea surface height (SSH) data, OceanNet demonstrates competitive forecast skill by outperforming SSH predictions by an uncoupled, state-of-the-art dynamical ocean model forecast, reducing computation by 500,000 times. These accomplishments demonstrate the potential of physics-inspired deep neural operators as cost-effective alternatives to high-resolution numerical ocean models.

Learning Closed-form Equations for Subgrid-scale Closures from High-fidelity Data: Promises and Challenges

There is growing interest in discovering interpretable, closed-form equations for subgrid-scale (SGS) closures/parameterizations of complex processes in Earth system. Here, we apply a common equation-discovery technique with expansive libraries to learn closures from filtered direct numerical simulations of 2D forced turbulence and Rayleigh-B\'enard convection (RBC). Across common filters, we robustly discover closures of the same form for momentum and heat fluxes. These closures depend on nonlinear combinations of gradients of filtered variables (velocity, temperature), with constants that are independent of the fluid/flow properties and only depend on filter type/size. We show that these closures are the nonlinear gradient model (NGM), which is derivable analytically using Taylor-series expansions. In fact, we suggest that with common (physics-free) equation-discovery algorithms, regardless of the system/physics, discovered closures are always consistent with the Taylor-series. Like previous studies, we find that large-eddy simulations with NGM closures are unstable, despite significant similarities between the true and NGM-predicted fluxes (pattern correlations $> 0.95$). We identify two shortcomings as reasons for these instabilities: in 2D, NGM produces zero kinetic energy transfer between resolved and subgrid scales, lacking both diffusion and backscattering. In RBC, backscattering of potential energy is poorly predicted. Moreover, we show that SGS fluxes diagnosed from data, presumed the "truth" for discovery, depend on filtering procedures and are not unique. Accordingly, to learn accurate, stable closures from high-fidelity data in future work, we propose several ideas around using physics-informed libraries, loss functions, and metrics. These findings are relevant beyond turbulence to closure modeling of any multi-scale system.

Long-term instabilities of deep learning-based digital twins of the climate system: The cause and a solution

Long-term stability is a critical property for deep learning-based data-driven digital twins of the Earth system. Such data-driven digital twins enable sub-seasonal and seasonal predictions of extreme environmental events, probabilistic forecasts, that require a large number of ensemble members, and computationally tractable high-resolution Earth system models where expensive components of the models can be replaced with cheaper data-driven surrogates. Owing to computational cost, physics-based digital twins, though long-term stable, are intractable for real-time decision-making. Data-driven digital twins offer a cheaper alternative to them and can provide real-time predictions. However, such digital twins can only provide short-term forecasts accurately since they become unstable when time-integrated beyond 20 days. Currently, the cause of the instabilities is unknown, and the methods that are used to improve their stability horizons are ad-hoc and lack rigorous theory. In this paper, we reveal that the universal causal mechanism for these instabilities in any turbulent flow is due to \textit{spectral bias} wherein, \textit{any} deep learning architecture is biased to learn only the large-scale dynamics and ignores the small scales completely. We further elucidate how turbulence physics and the absence of convergence in deep learning-based time-integrators amplify this bias leading to unstable error propagation. Finally, using the quasigeostrophic flow and ECMWF Reanalysis data as test cases, we bridge the gap between deep learning theory and fundamental numerical analysis to propose one mitigative solution to such instabilities. We develop long-term stable data-driven digital twins for the climate system and demonstrate accurate short-term forecasts, and hundreds of years of long-term stable time-integration with accurate mean and variability.

Deep learning-enhanced ensemble-based data assimilation for high-dimensional nonlinear dynamical systems

Data assimilation (DA) is a key component of many forecasting models in science and engineering. DA allows one to estimate better initial conditions using an imperfect dynamical model of the system and noisy/sparse observations available from the system. Ensemble Kalman filter (EnKF) is a DA algorithm that is widely used in applications involving high-dimensional nonlinear dynamical systems. However, EnKF requires evolving large ensembles of forecasts using the dynamical model of the system. This often becomes computationally intractable, especially when the number of states of the system is very large, e.g., for weather prediction. With small ensembles, the estimated background error covariance matrix in the EnKF algorithm suffers from sampling error, leading to an erroneous estimate of the analysis state (initial condition for the next forecast cycle). In this work, we propose hybrid ensemble Kalman filter (H-EnKF), which is applied to a two-layer quasi-geostrophic flow system as a test case. This framework utilizes a pre-trained deep learning-based data-driven surrogate that inexpensively generates and evolves a large data-driven ensemble of the states of the system to accurately compute the background error covariance matrix with less sampling error. The H-EnKF framework estimates a better initial condition without the need for any ad-hoc localization strategies. H-EnKF can be extended to any ensemble-based DA algorithm, e.g., particle filters, which are currently difficult to use for high dimensional systems.

Explaining the physics of transfer learning a data-driven subgrid-scale closure to a different turbulent flow

Transfer learning (TL) is becoming a powerful tool in scientific applications of neural networks (NNs), such as weather/climate prediction and turbulence modeling. TL enables out-of-distribution generalization (e.g., extrapolation in parameters) and effective blending of disparate training sets (e.g., simulations and observations). In TL, selected layers of a NN, already trained for a base system, are re-trained using a small dataset from a target system. For effective TL, we need to know 1) what are the best layers to re-train? and 2) what physics are learned during TL? Here, we present novel analyses and a new framework to address (1)-(2) for a broad range of multi-scale, nonlinear systems. Our approach combines spectral analyses of the systems' data with spectral analyses of convolutional NN's activations and kernels, explaining the inner-workings of TL in terms of the system's nonlinear physics. Using subgrid-scale modeling of several setups of 2D turbulence as test cases, we show that the learned kernels are combinations of low-, band-, and high-pass filters, and that TL learns new filters whose nature is consistent with the spectral differences of base and target systems. We also find the shallowest layers are the best to re-train in these cases, which is against the common wisdom guiding TL in machine learning literature. Our framework identifies the best layer(s) to re-train beforehand, based on physics and NN theory. Together, these analyses explain the physics learned in TL and provide a framework to guide TL for wide-ranging applications in science and engineering, such as climate change modeling.

Long-term stability and generalization of observationally-constrained stochastic data-driven models for geophysical turbulence

Recent years have seen a surge in interest in building deep learning-based fully data-driven models for weather prediction. Such deep learning models if trained on observations can mitigate certain biases in current state-of-the-art weather models, some of which stem from inaccurate representation of subgrid-scale processes. However, these data-driven models, being over-parameterized, require a lot of training data which may not be available from reanalysis (observational data) products. Moreover, an accurate, noise-free, initial condition to start forecasting with a data-driven weather model is not available in realistic scenarios. Finally, deterministic data-driven forecasting models suffer from issues with long-term stability and unphysical climate drift, which makes these data-driven models unsuitable for computing climate statistics. Given these challenges, previous studies have tried to pre-train deep learning-based weather forecasting models on a large amount of imperfect long-term climate model simulations and then re-train them on available observational data. In this paper, we propose a convolutional variational autoencoder-based stochastic data-driven model that is pre-trained on an imperfect climate model simulation from a 2-layer quasi-geostrophic flow and re-trained, using transfer learning, on a small number of noisy observations from a perfect simulation. This re-trained model then performs stochastic forecasting with a noisy initial condition sampled from the perfect simulation. We show that our ensemble-based stochastic data-driven model outperforms a baseline deterministic encoder-decoder-based convolutional model in terms of short-term skills while remaining stable for long-term climate simulations yielding accurate climatology.

FourCastNet: A Global Data-driven High-resolution Weather Model using Adaptive Fourier Neural Operators

FourCastNet, short for Fourier Forecasting Neural Network, is a global data-driven weather forecasting model that provides accurate short to medium-range global predictions at $0.25^{\circ}$ resolution. FourCastNet accurately forecasts high-resolution, fast-timescale variables such as the surface wind speed, precipitation, and atmospheric water vapor. It has important implications for planning wind energy resources, predicting extreme weather events such as tropical cyclones, extra-tropical cyclones, and atmospheric rivers. FourCastNet matches the forecasting accuracy of the ECMWF Integrated Forecasting System (IFS), a state-of-the-art Numerical Weather Prediction (NWP) model, at short lead times for large-scale variables, while outperforming IFS for variables with complex fine-scale structure, including precipitation. FourCastNet generates a week-long forecast in less than 2 seconds, orders of magnitude faster than IFS. The speed of FourCastNet enables the creation of rapid and inexpensive large-ensemble forecasts with thousands of ensemble-members for improving probabilistic forecasting. We discuss how data-driven deep learning models such as FourCastNet are a valuable addition to the meteorology toolkit to aid and augment NWP models.

Closed-form discovery of structural errors in models of chaotic systems by integrating Bayesian sparse regression and data assimilation

Models used for many important engineering and natural systems are imperfect. The discrepancy between the mathematical representations of a true physical system and its imperfect model is called the model error. These model errors can lead to substantial difference between the numerical solutions of the model and the observations of the system, particularly in those involving nonlinear, multi-scale phenomena. Thus, there is substantial interest in reducing model errors, particularly through understanding their physics and sources and leveraging the rapid growth of observational data. Here we introduce a framework named MEDIDA: Model Error Discovery with Interpretability and Data Assimilation. MEDIDA only requires a working numerical solver of the model and a small number of noise-free or noisy sporadic observations of the system. In MEDIDA, first the model error is estimated from differences between the observed states and model-predicted states (the latter are obtained from a number of one-time-step numerical integrations from the previous observed states). If observations are noisy, a data assimilation (DA) technique such as ensemble Kalman filter (EnKF) is first used to provide a noise-free analysis state of the system, which is then used in estimating the model error. Finally, an equation-discovery technique, such as the relevance vector machine (RVM), a sparsity-promoting Bayesian method, is used to identify an interpretable, parsimonious, closed-form representation of the model error. Using the chaotic Kuramoto-Sivashinsky (KS) system as the test case, we demonstrate the excellent performance of MEDIDA in discovering different types of structural/parametric model errors, representing different types of missing physics, using noise-free and noisy observations.

Towards physically consistent data-driven weather forecasting: Integrating data assimilation with equivariance-preserving deep spatial transformers

There is growing interest in data-driven weather prediction (DDWP), for example using convolutional neural networks such as U-NETs that are trained on data from models or reanalysis. Here, we propose 3 components to integrate with commonly used DDWP models in order to improve their physical consistency and forecast accuracy. These components are 1) a deep spatial transformer added to the latent space of the U-NETs to preserve a property called equivariance, which is related to correctly capturing rotations and scalings of features in spatio-temporal data, 2) a data-assimilation (DA) algorithm to ingest noisy observations and improve the initial conditions for next forecasts, and 3) a multi-time-step algorithm, which combines forecasts from DDWP models with different time steps through DA, improving the accuracy of forecasts at short intervals. To show the benefit/feasibility of each component, we use geopotential height at 500~hPa (Z500) from ERA5 reanalysis and examine the short-term forecast accuracy of specific setups of the DDWP framework. Results show that the equivariance-preserving networks (U-STNs) clearly outperform the U-NETs, for example improving the forecast skill by $45\%$. Using a sigma-point ensemble Kalman (SPEnKF) algorithm for DA and U-STN as the forward model, we show that stable, accurate DA cycles are achieved even with high observation noise. The DDWP+DA framework substantially benefits from large ($O(1000)$) ensembles that are inexpensively generated with the data-driven forward model in each DA cycle. The multi-time-step DDWP+DA framework also shows promises, e.g., it reduces the average error by factors of 2-3.

Data-driven super-parameterization using deep learning: Experimentation with multi-scale Lorenz 96 systems and transfer-learning

To make weather/climate modeling computationally affordable, small-scale processes are usually represented in terms of the large-scale, explicitly-resolved processes using physics-based or semi-empirical parameterization schemes. Another approach, computationally more demanding but often more accurate, is super-parameterization (SP), which involves integrating the equations of small-scale processes on high-resolution grids embedded within the low-resolution grids of large-scale processes. Recently, studies have used machine learning (ML) to develop data-driven parameterization (DD-P) schemes. Here, we propose a new approach, data-driven SP (DD-SP), in which the equations of the small-scale processes are integrated data-drivenly using ML methods such as recurrent neural networks. Employing multi-scale Lorenz 96 systems as testbed, we compare the cost and accuracy (in terms of both short-term prediction and long-term statistics) of parameterized low-resolution (LR), SP, DD-P, and DD-SP models. We show that with the same computational cost, DD-SP substantially outperforms LR, and is better than DD-P, particularly when scale separation is lacking. DD-SP is much cheaper than SP, yet its accuracy is the same in reproducing long-term statistics and often comparable in short-term forecasting. We also investigate generalization, finding that when models trained on data from one system are applied to a system with different forcing (e.g., more chaotic), the models often do not generalize, particularly when the short-term prediction accuracy is examined. But we show that transfer-learning, which involves re-training the data-driven model with a small amount of data from the new system, significantly improves generalization. Potential applications of DD-SP and transfer-learning in climate/weather modeling and the expected challenges are discussed.