Online Calibration of Deep Learning Sub-Models for Hybrid Numerical Modeling Systems

Artificial intelligence and deep learning are currently reshaping numerical simulation frameworks by introducing new modeling capabilities. These frameworks are extensively investigated in the context of model correction and parameterization where they demonstrate great potential and often outperform traditional physical models. Most of these efforts in defining hybrid dynamical systems follow {offline} learning strategies in which the neural parameterization (called here sub-model) is trained to output an ideal correction. Yet, these hybrid models can face hard limitations when defining what should be a relevant sub-model response that would translate into a good forecasting performance. End-to-end learning schemes, also referred to as online learning, could address such a shortcoming by allowing the deep learning sub-models to train on historical data. However, defining end-to-end training schemes for the calibration of neural sub-models in hybrid systems requires working with an optimization problem that involves the solver of the physical equations. Online learning methodologies thus require the numerical model to be differentiable, which is not the case for most modeling systems. To overcome this difficulty and bypass the differentiability challenge of physical models, we present an efficient and practical online learning approach for hybrid systems. The method, called EGA for Euler Gradient Approximation, assumes an additive neural correction to the physical model, and an explicit Euler approximation of the gradients. We demonstrate that the EGA converges to the exact gradients in the limit of infinitely small time steps. Numerical experiments are performed on various case studies, including prototypical ocean-atmosphere dynamics. Results show significant improvements over offline learning, highlighting the potential of end-to-end online learning for hybrid modeling.

Neural SPDE solver for uncertainty quantification in high-dimensional space-time dynamics

Historically, the interpolation of large geophysical datasets has been tackled using methods like Optimal Interpolation (OI) or model-based data assimilation schemes. However, the recent connection between Stochastic Partial Differential Equations (SPDE) and Gaussian Markov Random Fields (GMRF) introduced a novel approach to handle large datasets making use of sparse precision matrices in OI. Recent advancements in deep learning also addressed this issue by incorporating data assimilation into neural architectures: it treats the reconstruction task as a joint learning problem involving both prior model and solver as neural networks. Though, it requires further developments to quantify the associated uncertainties. In our work, we leverage SPDEbased Gaussian Processes to estimate complex prior models capable of handling nonstationary covariances in space and time. We develop a specific architecture able to learn both state and SPDE parameters as a neural SPDE solver, while providing the precisionbased analytical form of the SPDE sampling. The latter is used as a surrogate model along the data assimilation window. Because the prior is stochastic, we can easily draw samples from it and condition the members by our neural solver, allowing flexible estimation of the posterior distribution based on large ensemble. We demonstrate this framework on realistic Sea Surface Height datasets. Our solution improves the OI baseline, aligns with neural prior while enabling uncertainty quantification and online parameter estimation.

Gradient-free online learning of subgrid-scale dynamics with neural emulators

In this paper, we propose a generic algorithm to train machine learning-based subgrid parametrizations online, i.e., with $\textit{a posteriori}$ loss functions for non-differentiable numerical solvers. The proposed approach leverage neural emulators to train an approximation of the reduced state-space solver, which is then used to allows gradient propagation through temporal integration steps. The algorithm is able to recover most of the benefit of online strategies without having to compute the gradient of the original solver. It is demonstrated that training the neural emulator and parametrization components separately with respective loss quantities is necessary in order to minimize the propagation of some approximation bias.

Building a Safer Maritime Environment Through Multi-Path Long-Term Vessel Trajectory Forecasting

Maritime transport is paramount to global economic growth and environmental sustainability. In this regard, the Automatic Identification System (AIS) data plays a significant role by offering real-time streaming data on vessel movement, which allows for enhanced traffic surveillance, assisting in vessel safety by avoiding vessel-to-vessel collisions and proactively preventing vessel-to-whale ones. This paper tackles an intrinsic problem to trajectory forecasting: the effective multi-path long-term vessel trajectory forecasting on engineered sequences of AIS data. We utilize an encoder-decoder model with Bidirectional Long Short-Term Memory Networks (Bi-LSTM) to predict the next 12 hours of vessel trajectories using 1 to 3 hours of AIS data. We feed the model with probabilistic features engineered from the AIS data that refer to the potential route and destination of each trajectory so that the model, leveraging convolutional layers for spatial feature learning and a position-aware attention mechanism that increases the importance of recent timesteps of a sequence during temporal feature learning, forecasts the vessel trajectory taking the potential route and destination into account. The F1 Score of these features is approximately 85% and 75%, indicating their efficiency in supplementing the neural network. We trialed our model in the Gulf of St. Lawrence, one of the North Atlantic Right Whales (NARW) habitats, achieving an R2 score exceeding 98% with varying techniques and features. Despite the high R2 score being attributed to well-defined shipping lanes, our model demonstrates superior complex decision-making during path selection. In addition, our model shows enhanced accuracy, with average and median forecasting errors of 11km and 6km, respectively. Our study confirms the potential of geographical data engineering and trajectory forecasting models for preserving marine life species.

OceanBench: The Sea Surface Height Edition

The ocean profoundly influences human activities and plays a critical role in climate regulation. Our understanding has improved over the last decades with the advent of satellite remote sensing data, allowing us to capture essential quantities over the globe, e.g., sea surface height (SSH). However, ocean satellite data presents challenges for information extraction due to their sparsity and irregular sampling, signal complexity, and noise. Machine learning (ML) techniques have demonstrated their capabilities in dealing with large-scale, complex signals. Therefore we see an opportunity for ML models to harness the information contained in ocean satellite data. However, data representation and relevant evaluation metrics can be the defining factors when determining the success of applied ML. The processing steps from the raw observation data to a ML-ready state and from model outputs to interpretable quantities require domain expertise, which can be a significant barrier to entry for ML researchers. OceanBench is a unifying framework that provides standardized processing steps that comply with domain-expert standards. It provides plug-and-play data and pre-configured pipelines for ML researchers to benchmark their models and a transparent configurable framework for researchers to customize and extend the pipeline for their tasks. In this work, we demonstrate the OceanBench framework through a first edition dedicated to SSH interpolation challenges. We provide datasets and ML-ready benchmarking pipelines for the long-standing problem of interpolating observations from simulated ocean satellite data, multi-modal and multi-sensor fusion issues, and transfer-learning to real ocean satellite observations. The OceanBench framework is available at github.com/jejjohnson/oceanbench and the dataset registry is available at github.com/quentinf00/oceanbench-data-registry.

Training neural mapping schemes for satellite altimetry with simulation data

Satellite altimetry combined with data assimilation and optimal interpolation schemes have deeply renewed our ability to monitor sea surface dynamics. Recently, deep learning (DL) schemes have emerged as appealing solutions to address space-time interpolation problems. The scarcity of real altimetry dataset, in terms of space-time coverage of the sea surface, however impedes the training of state-of-the-art neural schemes on real-world case-studies. Here, we leverage both simulations of ocean dynamics and satellite altimeters to train simulation-based neural mapping schemes for the sea surface height and demonstrate their performance for real altimetry datasets. We analyze further how the ocean simulation dataset used during the training phase impacts this performance. This experimental analysis covers both the resolution from eddy-present configurations to eddy-rich ones, forced simulations vs. reanalyses using data assimilation and tide-free vs. tide-resolving simulations. Our benchmarking framework focuses on a Gulf Stream region for a realistic 5-altimeter constellation using NEMO ocean simulations and 4DVarNet mapping schemes. All simulation-based 4DVarNets outperform the operational observation-driven and reanalysis products, namely DUACS and GLORYS. The more realistic the ocean simulation dataset used during the training phase, the better the mapping. The best 4DVarNet mapping was trained from an eddy-rich and tide-free simulation datasets. It improves the resolved longitudinal scale from 151 kilometers for DUACS and 241 kilometers for GLORYS to 98 kilometers and reduces the root mean squared error (RMSE) by 23% and 61%. These results open research avenues for new synergies between ocean modelling and ocean observation using learning-based approaches.

A VAE Approach to Sample Multivariate Extremes

Generating accurate extremes from an observational data set is crucial when seeking to estimate risks associated with the occurrence of future extremes which could be larger than those already observed. Applications range from the occurrence of natural disasters to financial crashes. Generative approaches from the machine learning community do not apply to extreme samples without careful adaptation. Besides, asymptotic results from extreme value theory (EVT) give a theoretical framework to model multivariate extreme events, especially through the notion of multivariate regular variation. Bridging these two fields, this paper details a variational autoencoder (VAE) approach for sampling multivariate heavy-tailed distributions, i.e., distributions likely to have extremes of particularly large intensities. We illustrate the relevance of our approach on a synthetic data set and on a real data set of discharge measurements along the Danube river network. The latter shows the potential of our approach for flood risks' assessment. In addition to outperforming the standard VAE for the tested data sets, we also provide a comparison with a competing EVT-based generative approach. On the tested cases, our approach improves the learning of the dependency structure between extremes.

Machine learning with data assimilation and uncertainty quantification for dynamical systems: a review

Data Assimilation (DA) and Uncertainty quantification (UQ) are extensively used in analysing and reducing error propagation in high-dimensional spatial-temporal dynamics. Typical applications span from computational fluid dynamics (CFD) to geoscience and climate systems. Recently, much effort has been given in combining DA, UQ and machine learning (ML) techniques. These research efforts seek to address some critical challenges in high-dimensional dynamical systems, including but not limited to dynamical system identification, reduced order surrogate modelling, error covariance specification and model error correction. A large number of developed techniques and methodologies exhibit a broad applicability across numerous domains, resulting in the necessity for a comprehensive guide. This paper provides the first overview of the state-of-the-art researches in this interdisciplinary field, covering a wide range of applications. This review aims at ML scientists who attempt to apply DA and UQ techniques to improve the accuracy and the interpretability of their models, but also at DA and UQ experts who intend to integrate cutting-edge ML approaches to their systems. Therefore, this article has a special focus on how ML methods can overcome the existing limits of DA and UQ, and vice versa. Some exciting perspectives of this rapidly developing research field are also discussed.

Reduction of rain-induced errors for wind speed estimation on SAR observations using convolutional neural networks

Synthetic Aperture Radar is known to be able to provide high-resolution estimates of surface wind speed. These estimates usually rely on a Geophysical Model Function (GMF) that has difficulties accounting for non-wind processes such as rain events. Convolutional neural network, on the other hand, have the capacity to use contextual information and have demonstrated their ability to delimit rainfall areas. By carefully building a large dataset of SAR observations from the Copernicus Sentinel-1 mission, collocated with both GMF and atmospheric model wind speeds as well as rainfall estimates, we were able to train a wind speed estimator with reduced errors under rain. Collocations with in-situ wind speed measurements from buoys show a root mean square error that is reduced by 27% (resp. 45%) under rainfall estimated at more than 1 mm/h (resp. 3 mm/h). These results demonstrate the capacity of deep learning models to correct rain-related errors in SAR products.

Scale-aware neural calibration for wide swath altimetry observations

Sea surface height (SSH) is a key geophysical parameter for monitoring and studying meso-scale surface ocean dynamics. For several decades, the mapping of SSH products at regional and global scales has relied on nadir satellite altimeters, which provide one-dimensional-only along-track satellite observations of the SSH. The Surface Water and Ocean Topography (SWOT) mission deploys a new sensor that acquires for the first time wide-swath two-dimensional observations of the SSH. This provides new means to observe the ocean at previously unresolved spatial scales. A critical challenge for the exploiting of SWOT data is the separation of the SSH from other signals present in the observations. In this paper, we propose a novel learning-based approach for this SWOT calibration problem. It benefits from calibrated nadir altimetry products and a scale-space decomposition adapted to SWOT swath geometry and the structure of the different processes in play. In a supervised setting, our method reaches the state-of-the-art residual error of ~1.4cm while proposing a correction on the entire spectral from 10km to 1000k