Andre Souza

Andre Souza, Molei Tao

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.

Xin Kai Lee, Ali Ramadhan, Andre Souza et al.

NORi is a machine-learned (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 NODEs 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 is designed for the realistic nonlinear equation of state of seawater and demonstrates excellent prediction and generalization capabilities in capturing entrainment dynamics under different convective strengths, oceanic background stratifications, rotation strengths, and surface wind forcings. NORi is numerically stable for at least 100 years of integration time in large-scale simulations, despite only being trained on 2-day horizons, and can be run with time steps as long as one hour. The highly expressive neural networks, combined with a physically-rigorous base closure, prove to be a robust paradigm for designing parameterizations for climate models where data requirements are drastically reduced, inference performance can be directly targeted and optimized, and numerical stability is implicitly encouraged during training.

Ludovico Theo Giorgini, Katherine Deck, Tobias Bischoff et al.

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.