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At least 127 records · Page 7

Variational multiscale reinforcement learning for discovering reduced order closure models of nonlinear spatiotemporal transport systems

Abstract A central challenge in the computational modeling and simulation of a multitude of science applications is to achieve robust and accurate closures for their coarse-grained representations due to underlying highly nonlinear multiscale interactions. These closure models are common in many nonlinear spatiotemporal systems to account for losses due to reduced order representations, including many transport phenomena in fluids. Previous data-driven closure modeling efforts have mostly focused on supervised learning approaches using high fidelity simulation data. On the other hand, reinforcement learning (RL) is a powerful yet relatively uncharted method in spatiotemporally extended systems. In this study, we put forth a modular dynamic closure modeling and discovery framework to stabilize the Galerkin projection based reduced order models that may arise in many nonlinear spatiotemporal dynamical systems with quadratic nonlinearity. However, a key element in creating a robust RL agent is to introduce a feasible reward function, which can be constituted of any difference metrics between the RL model and high fidelity simulation data. First, we introduce a multi-modal RL to discover mode-dependant closure policies that utilize the high fidelity data in rewarding our RL agent. We then formulate a variational multiscale RL (VMRL) approach to discover closure models without requiring access to the high fidelity data in designing the reward function. Specifically, our chief innovation is to leverage variational multiscale formalism to quantify the difference between modal interactions in Galerkin systems. Our results in simulating the viscous Burgers equation indicate that the proposed VMRL method leads to robust and accurate closure parameterizations, and it may potentially be used to discover scale-aware closure models for complex dynamical systems.

97 MATHEMATICS AND COMPUTING↗

Probabilistic flux limiters

The stable numerical integration of shocks in compressible flow simulations relies on the reduction or elimination of Gibbs phenomena (unstable, spurious oscillations). A popular method to virtually eliminate Gibbs oscillations caused by numerical discretization in under-resolved simulations is to use a flux limiter. A wide range of flux limiters have been studied in the literature, with recent interest in their optimization via machine learning methods trained on high-resolution datasets. The common use of flux limiters in numerical codes as plug-and-play blackbox components makes them key targets for design improvement. Even for deterministic dynamical models, numerical uncertainty is introduced via coarse-graining required by insufficient computational power to solve all scales of motion. Conventional flux limiters are deterministic and lack the capacity to address uncertainties, both aleatoric (inherent randomness) and epistemic (modeling uncertainty due to limited knowledge), which arise in coarse-grained numerical simulations. Here, we introduce a conceptually distinct type of flux limiter that is designed to handle the effects of randomness in the model and uncertainty in model parameters. Unlike traditional single-function flux limiters, these new probabilistic flux limiters incorporate multiple flux limiting functions, each applied with a learned probability drawn from high-resolution data to mitigate the effects of uncertainty in numerical simulations. This approach departs from traditional single-function limiters by explicitly modeling and incorporating uncertainty into the shock capturing process. Using the example of Burgers' equation as a testbed, we show that a machine learned, probabilistic flux limiter may be used in a shock capturing code to more accurately capture shock profiles. In particular, we show that our probabilistic flux limiter outperforms standard limiters and can be successively improved upon (up to a point) by expanding the set of probabilistically chosen flux limiting functions.

97 MATHEMATICS AND COMPUTING↗

Synchronization of dust acoustic waves in a forced Korteweg–de Vries–Burgers model

The synchronization of dust acoustic waves to an external periodic source is studied in the framework of a driven Korteweg–de Vries–Burgers equation that takes into account the appropriate nonlinear and dispersive nature of low-frequency waves in a dusty plasma medium. For a spatiotemporally varying source term, the system is shown to demonstrate harmonic (1:1) and superharmonic (1:2) synchronized states. Here, the existence domains of these states are delineated in the form of Arnold tongue diagrams in the parametric space of the forcing amplitude and forcing frequency and their resemblance to some past experimental results is discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A Hybrid Lagrangian/Eulerian Collocated Velocity Advection and Projection Method for Fluid Simulation

Abstract We present a hybrid particle/grid approach for simulating incompressible fluids on collocated velocity grids. Our approach supports both particle‐based Lagrangian advection in very detailed regions of the flow and efficient Eulerian grid‐based advection in other regions of the flow. A novel Backward Semi‐Lagrangian method is derived to improve accuracy of grid based advection. Our approach utilizes the implicit formula associated with solutions of the inviscid Burgers’ equation. We solve this equation using Newton's method enabled by C 1 continuous grid interpolation. We enforce incompressibility over collocated, rather than staggered grids. Our projection technique is variational and designed for B‐spline interpolation over regular grids where multiquadratic interpolation is used for velocity and multilinear interpolation for pressure. Despite our use of regular grids, we extend the variational technique to allow for cut‐cell definition of irregular flow domains for both Dirichlet and free surface boundary conditions.

Gagniere, S.↗

Domain-decomposition nonlinear manifold reduced order model

This software combines nonlinear-manifold reduced order models (NM-ROMs) with domain decomposition (DD) techniques. NM-ROMs, which utilize a shallow, sparse autoencoder trained with full order model (FOM) snapshot data, approximate the FOM state on a nonlinear manifold. These models offer advantages over linear-subspace ROMs (LS-ROMs) particularly in scenarios with slowly decaying Kolmogorov n-width. However, the training of NM-ROMs involves a number of parameters that scale with the size of the FOM, and storing high-dimensional FOM snapshots can significantly increase the cost of ROM training for extreme-scale problems. To mitigate these costs, the software employs DD to partition the FOM into smaller subdomains, computes NM-ROMs for each, and then integrates these to form a global NM-ROM. This strategy offers multiple benefits: it enables parallel training of subdomain NM-ROMs, reduces the number of parameters needed, decreases the dimensional requirements of subdomain FOM training data, and allows for customization to the unique characteristics of each FOM subdomain. The use of a shallow, sparse autoencoder architecture in each subdomain NM-ROM facilitates the application of hyper-reduction (HR), simplifying the nonlinear complexities and enhancing computational speed. This software marks the inaugural application of NM-ROM combined with HR to a DD problem. It features an algebraic DD reformulation of the FOM, training of NM-ROMs with HR for each subdomain, and employs a sequential quadratic programming (SQP) solver for the evaluation of the coupled global NMROM. The effectiveness of the DD NM-ROM with HR is numerically demonstrated on the 2D steady-state Burgers' equation, showing an order of magnitude improvement in accuracy over the DD LS-ROM with HR.

Diaz, AlejandroN↗

AutoDiffSVDCompression [SWR-25-162]

This software contains the code and results for the paper Reducing Memory Usage of Reverse Mode AD by Compression. In particular, the code includes implementation of the necessary structures and functions for using the Singular Value Decomposition (SVD) to compress forward pass values needed for reverse mode AD as well as the necessary numerical solvers for Burgers’ Equation and numerical solution of a control problem. In addition to the code, the repository also contains the scripts, results, and logs used in the aforementioned publication. This repository is meant to enable the reproducibility of the results in the publication.

Maack, Jonathan [National Renewable Energy Laborat↗

Closure Learning for Nonlinear Model Reduction Using Deep Residual Neural Network

Developing accurate, efficient, and robust closure models is essential in the construction of reduced order models (ROMs) for realistic nonlinear systems, which generally require drastic ROM mode truncations. We propose a deep residual neural network (ResNet) closure learning framework for ROMs of nonlinear systems. The novel ResNet-ROM framework consists of two steps: (i) In the first step, we use ROM projection to filter the given nonlinear system and construct a spatially filtered ROM. This filtered ROM is low-dimensional, but is not closed. (ii) In the second step, we use ResNet to close the filtered ROM, i.e., to model the interaction between the resolved and unresolved ROM modes. We emphasize that in the new ResNet-ROM framework, data is used only to complement classical physical modeling (i.e., only in the closure modeling component), not to completely replace it. We also note that the new ResNet-ROM is built on general ideas of spatial filtering and deep learning and is independent of (restrictive) phenomenological arguments, e.g., of eddy viscosity type. The numerical experiments for the 1D Burgers equation show that the ResNet-ROM is significantly more accurate than the standard projection ROM. The new ResNet-ROM is also more accurate and significantly more efficient than other modern ROM closure models.

Xie, Xuping↗

Propagation of weak shock waves through turbulence.

The effect of turbulence on the structure of weak shock waves is investigated. The equilibrium structure is shown to be governed by a balance between nonlinear steepening and the turbulent scattering of acoustic energy out of the main wave direction. The scattered energy appears as perturbations behind the shock front. For conditions typical of sonic booms in atmospheric turbulence the wave structure is governed by a Burgers equation similar to that describing viscous shocks, except that parameters related to the turbulence appear instead of the viscosity coefficient. The magnitude of the perturbations following a shock is estimated from first-order scattering applied to a thickened shock. Predictions of shock thicknesses and perturbations compare favourably with available experimental data.

Plotkin, K. J.↗

A cubic spline approximation for problems in fluid mechanics

A cubic spline approximation is presented which is suited for many fluid-mechanics problems. This procedure provides a high degree of accuracy, even with a nonuniform mesh, and leads to an accurate treatment of derivative boundary conditions. The truncation errors and stability limitations of several implicit and explicit integration schemes are presented. For two-dimensional flows, a spline-alternating-direction-implicit method is evaluated. The spline procedure is assessed, and results are presented for the one-dimensional nonlinear Burgers' equation, as well as the two-dimensional diffusion equation and the vorticity-stream function system describing the viscous flow in a driven cavity. Comparisons are made with analytic solutions for the first two problems and with finite-difference calculations for the cavity flow.

Rubin, S. G.↗

Viscous flow solutions with a cubic spline approximation

A cubic spline approximation is used for the solution of several problems in fluid mechanics. This procedure provides a high degree of accuracy even with a nonuniform mesh, and leads to a more accurate treatment of derivative boundary conditions. The truncation errors and stability limitations of several typical integration schemes are presented. For two-dimensional flows a spline-alternating-direction-implicit (SADI) method is evaluated. The spline procedure is assessed and results are presented for the one-dimensional nonlinear Burgers' equation, as well as the two-dimensional diffusion equation and the vorticity-stream function system describing the viscous flow in a driven cavity. Comparisons are made with analytic solutions for the first two problems and with finite-difference calculations for the cavity flow.

Rubin, S. G.↗

Over-relaxation applied to the MacCormack finite-difference scheme

An over-relaxation procedure is applied to the MacCormack finite-difference scheme in order to reduce the computation time required to obtain a steady-state solution. The implementation of this acceleration procedure to an existing computer program using the regular MacCormack method is extremely simple and does not require additional storage. The over-relaxation procedure does not alter the steady-state solution, which is second-order accurate. The method is first applied to Burgers' equation. A stability condition and an expression for the increase in the rate of convergence are derived. The method is then applied to the calculation of the hypersonic viscous flow over a flat plate, using the complete Navier-Stokes equations, and the inviscid flow over a wedge. Reductions in computing time by factors of 3 and 1.5, respectively, are obtained by over-relaxation.

Desideri, J.-A.↗

Optimal nodal point distribution for improved accuracy in computational fluid dynamics

In applying finite-difference techniques to flow field problems, the accuracy attained for a fixed number of node points can be improved using unequally-spaced node points. The distribution of these node points is chosen here by minimizing a measure of local truncation error with respect to the parameters which define a transformation between the computational space of equally-spaced node points and the physical space of unequally-spaced node points. The problem then becomes a nonlinear programming problem. Numerical results are presented for two one-dimensional test problems: the Blasius boundary layer problem and the inviscid Burgers' equation.

Pierson, B. L.↗

Evolution of weak disturbances in inert binary mixtures

The evolution of weak disturbances in inert binary mixtures is determined for the one-dimensional piston problem. The interaction of the dissipative and nonlinear mechanisms is described by Burgers' equation. The binary mixture diffusion mechanisms enter as an additive term in an effective diffusivity. Results for the impulsive motion of a piston moving into an ambient medium and the sinusoidally oscillating piston are used to illustrate the results and elucidate the incorrect behavior pertaining to the associated linear theory.

Rasmussen, M. L.↗

Grid evolution in time asymptotic problems

The selection of the proper coordinate system in solving any fluid flow or heat transfer problem is a very important consideration. A new technique of moving mesh points in physical space is introduced so as to reduce the error in a computed asymptotic solution relative to that obtained using a fixed mesh. The technique has been used to solve the simple viscous Burgers' equation in one and two dimensions. Substantial error reductions are demonstrated. The treatment of boundary points and the effect of using different error criteria in generating grids are discussed.

Rai, M. M.↗

Development of a dynamically adaptive grid method for multidimensional problems

An approach to solution adaptive grid generation for use with finite difference techniques, previously demonstrated on model problems in one space dimension, has been extended to multidimensional problems. The method is based on the popular elliptic steady grid generators, but is 'dynamically' adaptive in the sense that a grid is maintained at all times satisfying the steady grid law driven by a solution-dependent source term. Testing has been carried out on Burgers' equation in one and two space dimensions. Results appear encouraging both for inviscid wave propagation cases and viscous boundary layer cases, suggesting that application to practical flow problems is now possible. In the course of the work, obstacles relating to grid correction, smoothing of the solution, and elliptic equation solvers have been largely overcome. Concern remains, however, about grid skewness, boundary layer resolution and the need for implicit integration methods. Also, the method in 3-D is expected to be very demanding of computer resources.

Holcomb, J. E.↗

On the relation between upwind-differencing schemes of Godunov, Engquist-Osher and Roe

The upwind differencing first order schemes of Godunov, Engquist-Osher and Roe are discussed on the basis of the inviscid Burgers equations. The differences between the schemes are interpreted as differences between the approximate Riemann solutions on which their numerical flux functions are based. Special attention is given to the proper formulation of these schemes when a source term is present. Second order two step schemes, based on the numerical flux functions of the first order schemes are also described. The schemes are compared in a numerical experiment, and recommendations on their use are included.

Vanleer, B.↗

Higher order methods for convection-diffusion problems

This paper applies C1 cubic Hermite polynomials embedded in an orthogonal collocation scheme to the spatial discretization of the unsteady nonlinear Burgers equation as a model of the equations of fluid mechanics. The temporal discretization is carried out by means of either a noniterative finite difference or an iterative finite difference procedure. Results of this method are compared with those of a second-order finite difference scheme and a splined-cubic Taylor's series scheme. Stability limits are derived and the matrix structure of the several schemes are compared.

Murphy, J. D.↗