arXiv subjects

Pierre Gentine

Publications and source records attributed to Pierre Gentine.

At least 37 records · Page 2Linked to original sources

arXiv2025

JAX-LaB: A High-Performance, Differentiable, Lattice Boltzmann Library for Modeling Multiphase Fluid Dynamics in Geosciences and Engineering

We introduce JAX-LaB, a differentiable, Python-based Lattice Boltzmann simulation library designed for modeling multiphase and multiphysics fluid dynamics problems in hydrologic, geologic, and engineered porous media settings. The library is designed as an extension to XLB, and it is built on the JAX framework. The library delivers a performant, hardware-agnostic implementation that seamlessly integrates with machine learning libraries and scales efficiently across CPUs, multi-GPU setups, and distributed environments. Multiphase interactions are modeled using the Shan-Chen pseudopotential method, coupled with an equation of state (EOS) to reproduce densities consistent with Maxwell's construction, enabling accurate simulation of flows with density ratios $> 10^7$ while maintaining low spurious currents. Fluid wetting is achieved using the "improved" virtual density scheme, which enables precise control of contact angle on flat and curved surfaces, while eliminating non-physical films seen in the Shan-Chen virtual density scheme. This scheme integrates directly into the interaction force calculations, removing the need to handle fluid-fluid and fluid-solid forces separately. We validate the library's accuracy and performance through comprehensive analytical benchmarks, including Laplace's law, capillary rise in parallel plates, and multi-component cocurrent flow in a channel. We then use the code for several applications involving multicomponent and multiphase flows, including permeability estimation, injection of supercritical $CO_2$ in a water-saturated Fontainebleau sandstone, and obtaining the characteristic curves for a sphere pack geometry. Finally, the single-GPU performance and multi-GPU scaling of the code are evaluated on both single-node and distributed systems. The library is open-source under the Apache license and available at https://github.com/piyush-ppradhan/JAX-LaB.

physics.comp-ph↗

arXiv2025

Power Ensemble Aggregation for Improved Extreme Event AI Prediction

This paper addresses the critical challenge of improving predictions of climate extreme events, specifically heat waves, using machine learning methods. Our work is framed as a classification problem in which we try to predict whether surface air temperature will exceed its q-th local quantile within a specified timeframe. Our key finding is that aggregating ensemble predictions using a power mean significantly enhances the classifier's performance. By making a machine-learning based weather forecasting model generative and applying this non-linear aggregation method, we achieve better accuracy in predicting extreme heat events than with the typical mean prediction from the same model. Our power aggregation method shows promise and adaptability, as its optimal performance varies with the quantile threshold chosen, demonstrating increased effectiveness for higher extremes prediction.

cs.LG↗

arXiv2025

A Self-Evolving AI Agent System for Climate Science

Scientific progress in Earth science depends on integrating data across the planet's interconnected spheres. However, the accelerating volume and fragmentation of multi-sphere knowledge and data have surpassed human analytical capacity. This creates a major bottleneck for discovery, especially in climate science. To address this challenge, we introduce EarthLink, the first self-evolving AI agent system designed as an interactive "copilot" for Earth scientists. Through natural language interaction, EarthLink automates the entire research workflow by integrating planning, code execution, data analysis, and physical reasoning into a unified process that directly addresses this limitation. Beyond efficiency, it exhibits human-like cross-disciplinary analytical ability and achieves proficiency comparable to a junior researcher in expert evaluations on core large-scale climate tasks, including model-observation comparison and climate change understanding. When tasked with an open scientific problem, specifically the discovery of precursors of the Atlantic Niño, EarthLink autonomously developed a research strategy, identified sources of predictability, verified its hypotheses with available data, and proposed a physically consistent mechanism. These emerging capabilities enable a new human-AI research paradigm. Scientists can focus on value and result judgments, while AI systems handle complex data analysis and knowledge integration. This accelerates the pace and breadth of discovery in Earth sciences. The system is accessible at our website https://earthlink.intern-ai.org.cn.

cs.LG↗

arXiv2025

LO-SDA: Latent Optimization for Score-based Atmospheric Data Assimilation

Data assimilation (DA) plays a pivotal role in numerical weather prediction by systematically integrating sparse observations with model forecasts to estimate optimal atmospheric initial condition for forthcoming forecasts. Traditional Bayesian DA methods adopt a Gaussian background prior as a practical compromise for the curse of dimensionality in atmospheric systems, that simplifies the nonlinear nature of atmospheric dynamics and can result in biased estimates. To address this limitation, we propose a novel generative DA method, LO-SDA. First, a variational autoencoder is trained to learn compact latent representations that disentangle complex atmospheric correlations. Within this latent space, a background-conditioned diffusion model is employed to directly learn the conditional distribution from data, thereby generalizing and removing assumptions in the Gaussian prior in traditional DA methods. Most importantly, we introduce latent optimization during the reverse process of the diffusion model to ensure strict consistency between the generated states and sparse observations. Idealized experiments demonstrate that LO-SDA not only outperforms score-based DA methods based on diffusion posterior sampling but also surpasses traditional DA approaches. To our knowledge, this is the first time that a diffusion-based DA method demonstrates the potential to outperform traditional approaches on high-dimensional global atmospheric systems. These findings suggest that long-standing reliance on Gaussian priors-a foundational assumption in operational atmospheric DA-may no longer be necessary in light of advances in generative modeling.

physics.ao-ph↗

arXiv2025

CausalDynamics: A large-scale benchmark for structural discovery of dynamical causal models

Causal discovery for dynamical systems poses a major challenge in fields where active interventions are infeasible. Most methods used to investigate these systems and their associated benchmarks are tailored to deterministic, low-dimensional and weakly nonlinear time-series data. To address these limitations, we present CausalDynamics, a large-scale benchmark and extensible data generation framework to advance the structural discovery of dynamical causal models. Our benchmark consists of true causal graphs derived from thousands of both linearly and nonlinearly coupled ordinary and stochastic differential equations as well as two idealized climate models. We perform a comprehensive evaluation of state-of-the-art causal discovery algorithms for graph reconstruction on systems with noisy, confounded, and lagged dynamics. CausalDynamics consists of a plug-and-play, build-your-own coupling workflow that enables the construction of a hierarchy of physical systems. We anticipate that our framework will facilitate the development of robust causal discovery algorithms that are broadly applicable across domains while addressing their unique challenges. We provide a user-friendly implementation and documentation on https://kausable.github.io/CausalDynamics.

cs.LG↗

arXiv2025

Deep learning for flash drought forecasting and interpretation

Flash droughts are increasingly occurring worldwide due to climate change, causing widespread socioeconomic and agricultural losses. However, timely and accurate flash drought forecasting remains challenging for operational forecast systems due to uncertain representations of interactive hydroclimate processes. Here, we introduce the Interpretable Transformer for Drought (IT-Drought), a deep learning model based on publicly available hydroclimate data. IT-Drought skillfully forecasts soil moisture up to 42 days and flash droughts up to 11 days ahead on average across the contiguous U.S., substantially outperforming existing forecast systems limited to 10-day skillful soil moisture forecasting and unable to forecast flash droughts. IT-Drought offers novel data-driven interpretability on flash drought onset, benchmarking the memory effects of soil moisture, and revealing heterogeneous impacts and effective time ranges of climatic conditions, predominantly radiation and temperature. The findings highlight the potential of leveraging IT-Drought for early warning and mechanistic investigation of flash droughts, ultimately supporting drought risk mitigation.

physics.geo-ph↗

arXiv2025

Transferring climate change physical knowledge

Precise and reliable climate projections are required for climate adaptation and mitigation, but Earth system models still exhibit great uncertainties. Several approaches have been developed to reduce the spread of climate projections and feedbacks, yet those methods cannot capture the nonlinear complexity inherent in the climate system. Using a Transfer Learning approach, we show that Machine Learning can be used to optimally leverage and merge the knowledge gained from global temperature maps simulated by Earth system models and observed in the historical period to reduce the spread of global surface air temperature fields projected in the 21st century. We reach an uncertainty reduction of more than 50% with respect to state-of-the-art approaches while giving evidence that our method provides improved regional temperature patterns together with narrower projections uncertainty, urgently required for climate adaptation.

physics.ao-ph↗

arXiv2025

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.

cs.LG↗

arXiv2025

Opportunities and challenges of quantum computing for climate modelling

Adaptation to climate change requires robust climate projections, yet the uncertainty in these projections performed by ensembles of Earth system models (ESMs) remains large. This is mainly due to uncertainties in the representation of subgrid-scale processes such as turbulence or convection that are partly alleviated at higher resolution. New developments in machine learning-based hybrid ESMs demonstrate great potential for systematically reduced errors compared to traditional ESMs. Building on the work of hybrid (physics + AI) ESMs, we here discuss the additional potential of further improving and accelerating climate models with quantum computing. We discuss how quantum computers could accelerate climate models by solving the underlying differential equations faster, how quantum machine learning could better represent subgrid-scale phenomena in ESMs even with currently available noisy intermediate-scale quantum devices, how quantum algorithms aimed at solving optimization problems could assist in tuning the many parameters in ESMs, a currently time-consuming and challenging process, and how quantum computers could aid in the analysis of climate models. We also discuss hurdles and obstacles facing current quantum computing paradigms. Strong interdisciplinary collaboration between climate scientists and quantum computing experts could help overcome these hurdles and harness the potential of quantum computing for this urgent topic.

quant-ph↗

arXiv2025

Physically Consistent Global Atmospheric Data Assimilation with Machine Learning in Latent Space

Data assimilation (DA) integrates observations with model forecasts to produce optimized atmospheric states, whose physical consistency is critical for stable weather forecasting and reliable climate research. Traditional Bayesian DA methods enforce these nonlinear, flow-dependent physical constraints through empirical and tunable covariance structures, but with limited accuracy and robustness. Here, we introduce Latent Data Assimilation (LDA), a framework that performs Bayesian DA in a latent space learned from multivariate global atmospheric data via an autoencoder. We demonstrate that the autoencoder can largely capture nonlinear physical relationships, enabling LDA to produce balanced analyses without explicitly modeling physical constraints. Assimilation in latent space also improves both analysis quality and forecast skill compared to traditional model-space DA, under both idealized and real observational settings. Furthermore, LDA exhibits strong robustness across latent dimensions and remains effective even when the autoencoder is trained on inaccurate but physically realistic forecasts, highlighting its flexibility for real-world applications.

physics.ao-ph↗

arXiv2025

Align-DA: Align Score-based Atmospheric Data Assimilation with Multiple Preferences

Data assimilation (DA) aims to estimate the full state of a dynamical system by combining partial and noisy observations with a prior model forecast, commonly referred to as the background. In atmospheric applications, this problem is fundamentally ill-posed due to the sparsity of observations relative to the high-dimensional state space. Traditional methods address this challenge by simplifying background priors to regularize the solution, which are empirical and require continual tuning for application. Inspired by alignment techniques in text-to-image diffusion models, we propose Align-DA, which formulates DA as a generative process and uses reward signals to guide background priors, replacing manual tuning with data-driven alignment. Specifically, we train a score-based model in the latent space to approximate the background-conditioned prior, and align it using three complementary reward signals for DA: (1) assimilation accuracy, (2) forecast skill initialized from the assimilated state, and (3) physical adherence of the analysis fields. Experiments with multiple reward signals demonstrate consistent improvements in analysis quality across different evaluation metrics and observation-guidance strategies. These results show that preference alignment, implemented as a soft constraint, can automatically adapt complex background priors tailored to DA, offering a promising new direction for advancing the field.

physics.ao-ph↗

arXiv2025

Deep Koopman operator framework for causal discovery in nonlinear dynamical systems

We use a deep Koopman operator-theoretic formalism to develop a novel causal discovery algorithm, Kausal. Causal discovery aims to identify cause-effect mechanisms for better scientific understanding, explainable decision-making, and more accurate modeling. Standard statistical frameworks, such as Granger causality, lack the ability to quantify causal relationships in nonlinear dynamics due to the presence of complex feedback mechanisms, timescale mixing, and nonstationarity. This presents a challenge in studying many real-world systems, such as the Earth's climate. Meanwhile, Koopman operator methods have emerged as a promising tool for approximating nonlinear dynamics in a linear space of observables. In Kausal, we propose to leverage this powerful idea for causal analysis where optimal observables are inferred using deep learning. Causal estimates are then evaluated in a reproducing kernel Hilbert space, and defined as the distance between the marginal dynamics of the effect and the joint dynamics of the cause-effect observables. Our numerical experiments demonstrate Kausal's superior ability in discovering and characterizing causal signals compared to existing approaches of prescribed observables. Lastly, we extend our analysis to observations of El Niño-Southern Oscillation highlighting our algorithm's applicability to real-world phenomena. Our code is available at https://github.com/juannat7/kausal.

cs.LG↗

arXiv2025

Generative emulation of chaotic dynamics with coherent prior

Data-driven emulation of nonlinear dynamics is challenging due to long-range skill decay that often produces physically unrealistic outputs. Recent advances in generative modeling aim to address these issues by providing uncertainty quantification and correction. However, the quality of generated simulation remains heavily dependent on the choice of conditioning priors. In this work, we present an efficient generative framework for dynamics emulation, unifying principles of turbulence with diffusion-based modeling: Cohesion. Specifically, our method estimates large-scale coherent structure of the underlying dynamics as guidance during the denoising process, where small-scale fluctuation in the flow is then resolved. These coherent priors are efficiently approximated using reduced-order models, such as deep Koopman operators, that allow for rapid generation of long prior sequences while maintaining stability over extended forecasting horizon. With this gain, we can reframe forecasting as trajectory planning, a common task in reinforcement learning, where conditional denoising is performed once over entire sequences, minimizing the computational cost of autoregressive-based generative methods. Empirical evaluations on chaotic systems of increasing complexity, including Kolmogorov flow, shallow water equations, and subseasonal-to-seasonal climate dynamics, demonstrate Cohesion superior long-range forecasting skill that can efficiently generate physically-consistent simulations, even in the presence of partially-observed guidance.

cs.LG↗

arXiv2025

Simulating Atmospheric Processes in Earth System Models and Quantifying Uncertainties with Deep Learning Multi-Member and Stochastic Parameterizations

Deep learning is a powerful tool to represent subgrid processes in climate models, but many application cases have so far used idealized settings and deterministic approaches. Here, we develop stochastic parameterizations with calibrated uncertainty quantification to learn subgrid convective and turbulent processes and surface radiative fluxes of a superparameterization (SP) embedded in an Earth System Model (ESM). We explore three methods to construct stochastic parameterizations: 1) a single Deep Neural Network (DNN) with Monte Carlo Dropout; 2) a multi-member parameterization; and 3) a Variational Encoder Decoder with latent space perturbation. We show that the multi-member (MM) parameterization improves the representation of convective processes, especially in the planetary boundary layer, compared to individual DNNs. The respective uncertainty quantification illustrates that methods 2) and 3) are advantageous compared to a dropout-based DNN parameterization regarding the spread of convective processes. Hybrid simulations with our best-performing MM parameterizations remained challenging and crash within the first days. Therefore, we develop a pragmatic partial coupling strategy relying on the SP for condensate emulation. Partial coupling reduces the computational efficiency of hybrid Earth-like simulations but enables model stability over 5 months with our MM parameterizations. However, our hybrid simulations exhibit biases in thermodynamic fields and differences in precipitation patterns. Despite this, the MM parameterizations enable improvements in reproducing tropical extreme precipitation compared to a traditional convection parameterization. Despite these challenges, our results indicate the potential of a new generation of MM machine learning parameterizations leveraging uncertainty quantification to improve the representation of stochasticity of subgrid effects.

physics.ao-ph↗

arXiv2024

Navigating the Noise: Bringing Clarity to ML Parameterization Design with O(100) Ensembles

Machine-learning (ML) parameterizations of subgrid processes (here of turbulence, convection, and radiation) may one day replace conventional parameterizations by emulating high-resolution physics without the cost of explicit simulation. However, uncertainty about the relationship between offline and online performance (i.e., when integrated with a large-scale general circulation model (GCM)) hinders their development. Much of this uncertainty stems from limited sampling of the noisy, emergent effects of upstream ML design decisions on downstream online hybrid simulation. Our work rectifies the sampling issue via the construction of a semi-automated, end-to-end pipeline for $\mathcal{O}(100)$ size ensembles of hybrid simulations, revealing important nuances in how systematic reductions in offline error manifest in changes to online error and online stability. For example, removing dropout and switching from a Mean Squared Error (MSE) to a Mean Absolute Error (MAE) loss both reduce offline error, but they have opposite effects on online error and online stability. Other design decisions, like incorporating memory, converting moisture input from specific humidity to relative humidity, using batch normalization, and training on multiple climates do not come with any such compromises. Finally, we show that ensemble sizes of $\mathcal{O}(100)$ may be necessary to reliably detect causally relevant differences online. By enabling rapid online experimentation at scale, we can empirically settle debates regarding subgrid ML parameterization design that would have otherwise remained unresolved in the noise.

physics.ao-ph↗

arXiv2024

ChaosBench: A Multi-Channel, Physics-Based Benchmark for Subseasonal-to-Seasonal Climate Prediction

Accurate prediction of climate in the subseasonal-to-seasonal scale is crucial for disaster preparedness and robust decision making amidst climate change. Yet, forecasting beyond the weather timescale is challenging because it deals with problems other than initial condition, including boundary interaction, butterfly effect, and our inherent lack of physical understanding. At present, existing benchmarks tend to have shorter forecasting range of up-to 15 days, do not include a wide range of operational baselines, and lack physics-based constraints for explainability. Thus, we propose ChaosBench, a challenging benchmark to extend the predictability range of data-driven weather emulators to S2S timescale. First, ChaosBench is comprised of variables beyond the typical surface-atmospheric ERA5 to also include ocean, ice, and land reanalysis products that span over 45 years to allow for full Earth system emulation that respects boundary conditions. We also propose physics-based, in addition to deterministic and probabilistic metrics, to ensure a physically-consistent ensemble that accounts for butterfly effect. Furthermore, we evaluate on a diverse set of physics-based forecasts from four national weather agencies as baselines to our data-driven counterpart such as ViT/ClimaX, PanguWeather, GraphCast, and FourCastNetV2. Overall, we find methods originally developed for weather-scale applications fail on S2S task: their performance simply collapse to an unskilled climatology. Nonetheless, we outline and demonstrate several strategies that can extend the predictability range of existing weather emulators, including the use of ensembles, robust control of error propagation, and the use of physics-informed models. Our benchmark, datasets, and instructions are available at https://leap-stc.github.io/ChaosBench.

cs.CV↗

arXiv2024

Interpretable multiscale Machine Learning-Based Parameterizations of Convection for ICON

Machine learning (ML)-based parameterizations have been developed for Earth System Models (ESMs) with the goal to better represent subgrid-scale processes or to accelerate computations. ML-based parameterizations within hybrid ESMs have successfully learned subgrid-scale processes from short high-resolution simulations. However, most studies used a particular ML method to parameterize the subgrid tendencies or fluxes originating from the compound effect of various small-scale processes (e.g., radiation, convection, gravity waves) in mostly idealized settings or from superparameterizations. Here, we use a filtering technique to explicitly separate convection from these processes in simulations with the Icosahedral Non-hydrostatic modelling framework (ICON) in a realistic setting and benchmark various ML algorithms against each other offline. We discover that an unablated U-Net, while showing the best offline performance, learns reverse causal relations between convective precipitation and subgrid fluxes. While we were able to connect the learned relations of the U-Net to physical processes this was not possible for the non-deep learning-based Gradient Boosted Trees. The ML algorithms are then coupled online to the host ICON model. Our best online performing model, an ablated U-Net excluding precipitating tracer species, indicates higher agreement for simulated precipitation extremes and mean with the high-resolution simulation compared to the traditional scheme. However, a smoothing bias is introduced both in water vapor path and mean precipitation. Online, the ablated U-Net significantly improves stability compared to the non-ablated U-Net and runs stable for the full simulation period of 180 days. Our results hint to the potential to significantly reduce systematic errors with hybrid ESMs.

physics.ao-ph↗

arXiv2024

ClimSim-Online: A Large Multi-scale Dataset and Framework for Hybrid ML-physics Climate Emulation

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.

cs.LG↗