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Andre Souza

Publications and source records attributed to Andre Souza.

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NORi: An ML-Augmented Ocean Boundary Layer Parameterization

NORi is a machine learning (ML) parameterization of ocean boundary layer turbulence that is physics-based and augmented with neural networks. NORi stands for neural ordinary differential equations (NODEs) Richardson number (Ri) closure. The physical parameterization is controlled by a Richardson number-dependent diffusivity and viscosity. The neural ODEs are trained to capture the entrainment through the base of the boundary layer, which cannot be represented with a local diffusive closure. The parameterization is trained using large-eddy simulations in an a posteriori fashion, where parameters are calibrated with a loss function that explicitly depends on the actual time-integrated variables of interest rather than the instantaneous subgrid fluxes, which are inherently noisy. NORi conserves tracers by design, uses realistic nonlinear thermodynamics, and demonstrates excellent prediction and generalization capabilities in capturing entrainment dynamics under different convective strengths, background stratifications, rotation, and wind forcings. NORi is shown to simulate the seasonal evolution of the boundary layer at Ocean Weather Station Papa with similar performance to the state-of-the-art two-equation k-epsilon closure. When implemented in a double-gyre simulation, it is numerically stable for at least 100 years, despite only being trained on two-day horizons, and can be run with time steps as long as one hour. Combining highly expressive neural networks with a physically grounded base closure proves to be a robust paradigm for designing parameterizations for climate models: data required and training cost are drastically reduced, inference performance can be directly optimized as a primary objective, and numerical stability is implicitly promoted through training.

physics.ao-ph

High-level, high-resolution ocean modeling at all scales with Oceananigans

We describe the user interface, governing equations, and numerical methods underpinning the community ocean modeling software called "Oceananigans". Oceananigans development has been lead by the Climate Modeling Alliance to build a trainable climate model with quantifiable uncertainty. Oceananigans is written in the Julia programming language, which, like similar recent efforts based on modern programming languages, distinguishes it from usual software based on Fortran. Oceananigans can efficiently simulate all scales of ocean motion, ranging from millimeter-scale turbulence in a small box to planetary-scale ocean circulation. Oceananigans design combines (i) a basic structured finite volume algorithm (ii) optimized for high-resolution simulations on GPUs which is (iii) exposed behind a high-level, programmable user interface. This design negotiates a dual mandate for highest-possible performance (to support state-of-the-art applications) and enhanced accessibility (to facilitate adoption and development). The dual mandate aims ultimately to accelerate the progress of Earth system science. Achieving this aim, however, requires a substantial and sustained increase in the collective effort of Oceananigans development.

physics.ao-ph

Response Theory via Generative Score Modeling

We introduce an approach for analyzing the responses of dynamical systems to external perturbations that combines score-based generative modeling with the Generalized Fluctuation-Dissipation Theorem (GFDT). The methodology enables accurate estimation of system responses, including those with non-Gaussian statistics. We numerically validate our approach using time-series data from three different stochastic partial differential equations of increasing complexity: an Ornstein-Uhlenbeck process with spatially correlated noise, a modified stochastic Allen-Cahn equation, and the 2D Navier-Stokes equations. We demonstrate the improved accuracy of the methodology over conventional methods and discuss its potential as a versatile tool for predicting the statistical behavior of complex dynamical systems.

physics.data-an

Oceananigans.jl: A Julia library that achieves breakthrough resolution, memory and energy efficiency in global ocean simulations

Climate models must simulate hundreds of future scenarios for hundreds of years at coarse resolutions, and a handful of high-resolution decadal simulations to resolve localized extreme events. Using Oceananigans.jl, written from scratch in Julia, we report several achievements: First, a global ocean simulation with breakthrough horizontal resolution -- 488m -- reaching 15 simulated days per day (0.04 simulated years per day; SYPD). Second, Oceananigans simulates the global ocean at 488m with breakthrough memory efficiency on just 768 Nvidia A100 GPUs, a fraction of the resources available on current and upcoming exascale supercomputers. Third, and arguably most significant for climate modeling, Oceananigans achieves breakthrough energy efficiency reaching 0.95 SYPD at 1.7 km on 576 A100s and 9.9 SYPD at 10 km on 68 A100s -- the latter representing the highest horizontal resolutions employed by current IPCC-class ocean models. Routine climate simulations with 10 km ocean components are within reach.

physics.ao-ph

Formulation and calibration of CATKE, a one-equation parameterization for microscale ocean mixing

We describe CATKE, a parameterization for fluxes associated with small-scale or "microscale" ocean turbulent mixing on scales between 1 and 100 meters. CATKE uses a downgradient formulation that depends on a prognostic turbulent kinetic energy (TKE) variable and a diagnostic mixing length scale that includes a dynamic convective adjustment (CA) component. With its dynamic convective mixing length, CATKE predicts not just the depth spanned by convective plumes but also the characteristic convective mixing timescale, an important aspect of turbulent convection not captured by simpler static convective adjustment schemes. As a result, CATKE can describe the competition between convection and other processes such as shear-driven mixing and baroclinic restratification. To calibrate CATKE, we use Ensemble Kalman Inversion to minimize the error between 21 large eddy simulations (LES) and predictions of the LES data by CATKE-parameterized single column simulations at three different vertical resolutions. We find that CATKE makes accurate predictions of both idealized and realistic LES compared to microscale turbulence parameterizations commonly used in climate models.

physics.ao-ph

Capturing missing physics in climate model parameterizations using neural differential equations

We explore how neural differential equations (NDEs) may be trained on highly resolved fluid-dynamical models of unresolved scales providing an ideal framework for data-driven parameterizations in climate models. NDEs overcome some of the limitations of traditional neural networks (NNs) in fluid dynamical applications in that they can readily incorporate conservation laws and boundary conditions and are stable when integrated over time. We advocate a method that employs a 'residual' approach, in which the NN is used to improve upon an existing parameterization through the representation of residual fluxes which are not captured by the base parameterization. This reduces the amount of training required and providing a method for capturing up-gradient and nonlocal fluxes. As an illustrative example, we consider the parameterization of free convection of the oceanic boundary layer triggered by buoyancy loss at the surface. We demonstrate that a simple parameterization of the process - convective adjustment - can be improved upon by training a NDE against highly resolved explicit models, to capture entrainment fluxes at the base of the well-mixed layer, fluxes that convective adjustment itself cannot represent. The augmented parameterization outperforms existing commonly used parameterizations such as the K-Profile Parameterization (KPP). We showcase that the NDE performs well independent of the time-stepper and that an online training approach using differentiable simulation via the Julia scientific machine learning software stack improves accuracy by an order-of-magnitude. We conclude that NDEs provide an exciting route forward to the development of representations of sub-grid-scale processes for climate science, opening up myriad new opportunities.

physics.ao-ph

Metastable transitions in inertial Langevin systems: what can be different from the overdamped case?

Metastable transitions in Langevin dynamics can exhibit rich behaviors that are markedly different from its overdamped limit. In addition to local alterations of the transition path geometry, more fundamental global changes may exist. For instance, when the dissipation is weak, heteroclinic connections that exist in the overdamped limit do not necessarily have a counterpart in the Langevin system, potentially leading to different transition rates. Furthermore, when the friction coefficient depends on the velocity, the overdamped limit no longer exists, but it is still possible to efficiently find instantons. The approach we employed for these discoveries was based on (i) a simple rewriting of the Freidlin-Wentzell action in terms of time-reversed dynamics, and (ii) an adaptation of the string method, which was originally designed for gradient systems, to this specific non-gradient system.

physics.comp-ph

Intermittency at Fine Scales and Complex Singularities of Turbulent Couette Flow

Fine scales of turbulent velocity fields, beyond the inertial range and well into the dissipative range, are highly intermittent. It has been hypothesized that complex plane singularities are the principal mechanism behind fine scale intermittency. In this article, we view the velocity field of a turbulent flow as an analytic function of time. Although the function is only available for real values of time, we present a numerical technique to analytically continue the function to complex values of time, and with sufficient fidelity to locate and visualize the singularity closest to the real axis. Using this technique, we demonstrate a robust connection between temporal intermittency and the location of singularities in the complex plane.

physics.flu-dyn