Searcharxiv⌕ Search

arXiv subjects

Karthik Duraisamy

Publications and source records attributed to Karthik Duraisamy.

At least 73 records · Page 4Linked to original sources

Physics-Informed Probabilistic Learning of Linear Embeddings of Non-linear Dynamics With Guaranteed Stability

The Koopman operator has emerged as a powerful tool for the analysis of nonlinear dynamical systems as it provides coordinate transformations to globally linearize the dynamics. While recent deep learning approaches have been useful in extracting the Koopman operator from a data-driven perspective, several challenges remain. In this work, we formalize the problem of learning the continuous-time Koopman operator with deep neural networks in a measure-theoretic framework. Our approach induces two types of models: differential and recurrent form, the choice of which depends on the availability of the governing equations and data. We then enforce a structural parameterization that renders the realization of the Koopman operator provably stable. A new autoencoder architecture is constructed, such that only the residual of the dynamic mode decomposition is learned. Finally, we employ mean-field variational inference (MFVI) on the aforementioned framework in a hierarchical Bayesian setting to quantify uncertainties in the characterization and prediction of the dynamics of observables. The framework is evaluated on a simple polynomial system, the Duffing oscillator, and an unstable cylinder wake flow with noisy measurements.

math.DS↗

Variational Multiscale Closures for Finite Element Discretizations Using the Mori-Zwanzig Approach

Simulation of multiscale problems remains a challenge due to the disparate range of spatial and temporal scales and the complex interaction between the resolved and unresolved scales. This work develops a coarse-grained modeling approach for the Continuous Galerkin discretizations by combining the Variational Multiscale decomposition and the Mori-Zwanzig (M-Z) formalism. An appeal of the M-Z formalism is that - akin to Greens functions for linear problems - the impact of unresolved dynamics on resolved scales can be formally represented as a convolution (or memory) integral in a non-linear setting. To ensure tractable and efficient models, Markovian closures are developed for the M-Z memory integral. The resulting sub-scale model has some similarities to adjoint stabilization and orthogonal subscale models. The model is made parameter free by adaptively determining the memory length during the simulation. To illustrate the generalizablity of this model, it is employed in coarse-grained simulations for the one-dimensional Burgers equation and in incompressible turbulence problems.

physics.comp-ph↗

Formulation of Entropy-Stable schemes for the multicomponent compressible Euler equations

In this work, Entropy-Stable (ES) schemes are formulated for the multicomponent compressible Euler equations. Entropy-conservative (EC) and ES fluxes are derived. Particular attention is paid to the limit case of zero partial densities where the structure required by ES schemes breaks down (the entropy variables are no longer defined). It is shown that while an EC flux is well-defined in this limit, a well-defined upwind ES flux requires appropriately averaged partial densities in the dissipation matrix. A similar result holds for the high-order TecNO reconstruction. However, this does not prevent the numerical solution from developing negative partial densities or internal energy. Numerical experiments were performed on one-dimensional and two-dimensional interface and shock-interface problems. The present scheme exactly preserves stationary interfaces. On moving interfaces, it produces pressure anomalies typically observed with conservative schemes [Karni, \textit{J. Comput. Phys.}, 112 (1994) 1]. We find that these anomalies, which are not present in the single-component case, violate neither entropy stability nor a minimum principle of the specific entropy. Finally, we show that the scheme is able to reproduce the physical mechanisms of the two-dimensional shock-bubble interaction problem [Haas \& Sturtevant, J. Fluid Mech. 181 (1987) 41, Quirk \& Karni, J. Fluid Mech. 318 (1996) 129].

math.NA↗

A minimum entropy principle in the compressible multicomponent Euler equations

In this work, the space of admissible entropy functions for the compressible multicomponent Euler equations is explored, following up on [Harten, \textit{J. Comput. Phys.}, 49 (1), 1983, pp. 151-164]. This effort allows us to prove a minimum entropy principle on entropy solutions, whether smooth or discrete, in the same way it was originally demonstrated for the compressible Euler equations by [Tadmor, \textit{Appl. Numer. Math.}, 49 (3-5), 1986, pp. 211-219].

math.AP↗

The Adjoint Petrov-Galerkin Method for Non-Linear Model Reduction

We formulate a new projection-based reduced-ordered modeling technique for non-linear dynamical systems. The proposed technique, which we refer to as the Adjoint Petrov-Galerkin (APG) method, is derived by decomposing the generalized coordinates of a dynamical system into a resolved coarse-scale set and an unresolved fine-scale set. A Markovian finite memory assumption within the Mori-Zwanzig formalism is then used to develop a reduced-order representation of the coarse-scales. This procedure leads to a closed reduced-order model that displays commonalities with the adjoint stabilization method used in finite elements. The formulation is shown to be equivalent to a Petrov-Galerkin method with a non-linear, time-varying test basis, thus sharing some similarities with the least-squares Petrov-Galerkin method. Theoretical analysis examining a priori error bounds and computational cost is presented. Numerical experiments on the compressible Navier-Stokes equations demonstrate that the proposed method can lead to improvements in numerical accuracy, robustness, and computational efficiency over the Galerkin method on problems of practical interest. Improvements in numerical accuracy and computational efficiency over the least-squares Petrov-Galerkin method are observed in most cases.

math.DS↗

Modal Analysis of Fluid Flows: Applications and Outlook

We present applications of modal analysis techniques to study, model, and control canonical aerodynamic flows. To illustrate how modal analysis techniques can provide physical insights in a complementary manner, we selected four fundamental examples of cylinder wakes, wall-bounded flows, airfoil wakes, and cavity flows. We also offer brief discussions on the outlook for modal analysis techniques, in light of rapid developments in data science.

physics.flu-dyn↗

Investigations and Improvement of Robustness of Reduced-Order Models of Reacting Flow

The impact of chemical reactions on the robustness and accuracy of projection-based Reduced-Order Models (ROMs) of fluid flows is investigated. Both Galerkin and Least-Squares Petrov Galerkin ROMs are shown to be less robust in reacting flows as compared to non-reacting flows. In particular, reacting flow ROMs show a strong sensitivity to \st{the} resolution and are often unstable. To identify the main underlying causes, a representative problem that contains the essential physics encountered in typical combustion dynamics problems is chosen. Comparisons with non-reacting solutions are used to assess the impact of reactions. Investigations are focused on three potential areas of significance: 1) preservation of conservation laws; 2) loss of dissipation; and 3) existence of unphysical local phenomena. Results indicate that conservation is relatively well-controlled and the global dissipation in the ROMs is actually larger than that in the underlying CFD solutions. Spurious local phenomena are, however, highly deleterious. Specifically, the steep temperature gradients that characterize combustion can lead to oscillations in local temperatures even in the absence of reactions. Representative calculations with physics-based temperature constraints verify that eliminating such excursions results in considerable improvement in both stability and future-state prediction capability.

physics.comp-ph↗

Prediction of Aerodynamic Flow Fields Using Convolutional Neural Networks

An approximation model based on convolutional neural networks (CNNs) is proposed for flow field predictions. The CNN is used to predict the velocity and pressure field in unseen flow conditions and geometries given the pixelated shape of the object. In particular, we consider Reynolds Averaged Navier-Stokes (RANS) flow solutions over airfoil shapes. The CNN can automatically detect essential features with minimal human supervision and shown to effectively estimate the velocity and pressure field orders of magnitude faster than the RANS solver, making it possible to study the impact of the airfoil shape and operating conditions on the aerodynamic forces and the flow field in near-real time. The use of specific convolution operations, parameter sharing, and robustness to noise are shown to enhance the predictive capabilities of CNN. We explore the network architecture and its effectiveness in predicting the flow field for different airfoil shapes, angles of attack, and Reynolds numbers.

physics.flu-dyn↗

Reduced Order Modeling Framework for Combustor Instabilities Using Truncated Domain Training

A multi-fidelity framework is established and demonstrated for prediction of combustion instabilities in rocket engines. The major idea is to adapt appropriate fidelity modeling approaches for different components in a rocket engine to ensure accurate and efficient predictions. Specifically, the proposed framework integrates projection-based Reduced Order Models (ROMs) that are developed using bases generated on truncated domain simulations. The ROM training is performed on truncated domains, and thus does not require full order model solutions on the full rocket geometry, thus demonstrating the potential to greatly reduce training cost. Geometry-specific training is replaced by the response generated by perturbing the characteristics at the boundary of the truncated domain. This training method is shown to enhance predictive capabilities and robustness of the resulting ROMs, including at conditions outside the training range. Numerical tests are conducted on a quasi-1D model of a single-element rocket combustor and the present framework is compared to traditional ROM development approaches.

physics.flu-dyn↗

Quad-rotor Flight Simulation in Realistic Atmospheric Conditions

In trajectory planning and control design for unmanned air vehicles, highly simplified models are typically used to represent the vehicle dynamics and the operating environment. The goal of this work is to perform real-time, but realistic flight simulations and trajectory planning for quad-copters in low altitude (<500m) atmospheric conditions. The aerodynamic model for rotor performance is adapted from blade element momentum theory and validated against experimental data. Large-eddy simulations of the atmospheric boundary layer are used to accurately represent the operating environment of unmanned air vehicles. A reduced-order version of the atmospheric boundary layer data as well as the popular Dryden model are used to assess the impact of accuracy of the wind field model on the predicted vehicle performance and trajectory. The wind model, aerodynamics and control modules are integrated into a six-degree-of-freedom flight simulation environment with a fully nonlinear flight controller. Simulations are performed for two representative flight paths, namely, straight and circular paths. Results for different wind models are compared and the impact of simplifying assumptions in representing rotor aerodynamics is discussed. The simulation framework and codes are open-sourced for use by the community.

physics.flu-dyn↗

On entropy stable temporal fluxes

Entropy-stable (ES) schemes have gained considerable attention over the last decade, especially in the context of turbulent flow simulations using high-order methods. While promising because of their nonlinear stability properties, ES schemes have to address a number of issues to become practical. One of them is how much entropy should be produced by the scheme at a certain level of under-resolution. This problem has been so far studied by considering different ES interfaces fluxes in the spatial discretization only because they can be tuned to generate a certain amount of entropy. In this note, we point out that, in the context of space-time discretizations, the same applies to ES interface fluxes in the temporal direction.

math.NA↗

Long-time predictive modeling of nonlinear dynamical systems using neural networks

We study the use of feedforward neural networks (FNN) to develop models of nonlinear dynamical systems from data. Emphasis is placed on predictions at long times, with limited data availability. Inspired by global stability analysis, and the observation of the strong correlation between the local error and the maximum singular value of the Jacobian of the ANN, we introduce Jacobian regularization in the loss function. This regularization suppresses the sensitivity of the prediction to the local error and is shown to improve accuracy and robustness. Comparison between the proposed approach and sparse polynomial regression is presented in numerical examples ranging from simple ODE systems to nonlinear PDE systems including vortex shedding behind a cylinder, and instability-driven buoyant mixing flow. Furthermore, limitations of feedforward neural networks are highlighted, especially when the training data does not include a low dimensional attractor. Strategies of data augmentation are presented as remedies to address these issues to a certain extent.

stat.ML↗

Turbulence Modeling in the Age of Data

Data from experiments and direct simulations of turbulence have historically been used to calibrate simple engineering models such as those based on the Reynolds-averaged Navier--Stokes (RANS) equations. In the past few years, with the availability of large and diverse datasets, researchers have begun to explore methods to systematically inform turbulence models with data, with the goal of quantifying and reducing model uncertainties. This review surveys recent developments in bounding uncertainties in RANS models via physical constraints, in adopting statistical inference to characterize model coefficients and estimate discrepancy, and in using machine learning to improve turbulence models. Key principles, achievements and challenges are discussed. A central perspective advocated in this review is that by exploiting foundational knowledge in turbulence modeling and physical constraints, data-driven approaches can yield useful predictive models.

physics.flu-dyn↗

Data-driven Discovery of Closure Models

Derivation of reduced order representations of dynamical systems requires the modeling of the truncated dynamics on the retained dynamics. In its most general form, this so-called closure model has to account for memory effects. In this work, we present a framework of operator inference to extract the governing dynamics of closure from data in a compact, non-Markovian form. We employ sparse polynomial regression and artificial neural networks to extract the underlying operator. For a special class of non-linear systems, observability of the closure in terms of the resolved dynamics is analyzed and theoretical results are presented on the compactness of the memory. The proposed framework is evaluated on examples consisting of linear to nonlinear systems with and without chaotic dynamics, with an emphasis on predictive performance on unseen data.

math.DS↗

Entropy Conservative Schemes and the Receding Flow Problem

This work delves into the family of entropy conservative (EC) schemes introduced by Tadmor. The discussion is centered around the Euler equations of fluid mechanics and the receding flow problem extensively studied by Liou. This work is motivated by Liou's recent findings that an abnormal spike in temperature observed with finite-volume schemes is linked to a spurious entropy rise, and that it can be prevented in principle by conserving entropy. While a semi-discrete analysis suggests EC schemes are a good fit, a fully discrete analysis based on Tadmor's framework shows the non-negligible impact of time-integration on the solution behavior. An EC time-integration scheme is developed to show that enforcing conservation of entropy at the fully discrete level does not necessarily guarantee a well-behaved solution.

math.NA↗

A Unified Framework for Multiscale Modeling using the Mori-Zwanzig Formalism and the Variational Multiscale Method

We describe a paradigm for multiscale modeling that combines the Mori-Zwanzig (MZ) formalism of Statistical Mechanics with the Variational Multiscale (VMS) method. The MZ-VMS approach leverages both VMS scale-separation projectors as well as phase-space projectors to provide a systematic modeling approach that is applicable to non-linear partial differential equations. Spectral as well as continuous and discontinuous finite element methods are considered. The framework leads to a formally closed equation in which the effect of the unresolved scales on the resolved scales is non-local in time and appears as a convolution or memory integral. The resulting non-Markovian system is used as a starting point for model development. We discover that unresolved scales lead to memory effects that are driven by an orthogonal projection of the coarse-scale residual and inter-element jumps. It is further shown that an MZ-based finite memory model is a variant of the well-known adjoint-stabilization method. For hyperbolic equations, this stabilization is shown to have the form of an artificial viscosity term. We further establish connections between the memory kernel and approximate Riemann solvers. It is demonstrated that, in the case of one-dimensional linear advection, the assumption of a finite memory and a linear quadrature leads to a closure term that is formally equivalent to an upwind flux correction.

math.NA↗

A Dynamic Subgrid Scale Model for Large Eddy Simulations Based on the Mori-Zwanzig Formalism

The development of reduced models for complex multiscale problems remains one of the principal challenges in computational physics. The optimal prediction framework of Chorin et al., which is a reformulation of the Mori-Zwanzig (M-Z) formalism of non-equilibrium statistical mechanics, provides a methodology for the development of mathematically-derived reduced models of dynamical systems. Several promising models have emerged from the optimal prediction community and have found application in molecular dynamics and turbulent flows. In this work, a new M-Z-based closure model that addresses some of the deficiencies of existing methods is developed. The model is constructed by exploiting similarities between two levels of coarse-graining via the Germano identity of fluid mechanics and by assuming that memory effects have a finite temporal support. The appeal of the proposed model, which will be referred to as the `dynamic-MZ-$τ$' model, is that it is parameter-free and has a structural form imposed by the mathematics of the coarse-graining process (rather than the phenomenological assumptions made by the modeler, such as in classical subgrid scale models). To promote the applicability of M-Z models in general, two procedures are presented to compute the resulting model form, helping to bypass the tedious error-prone algebra that has proven to be a hindrance to the construction of M-Z-based models for complex dynamical systems. While the new formulation is applicable to the solution of general partial differential equations, demonstrations are presented in the context of Large Eddy Simulation closures for Burgers equation, decaying homogeneous turbulence, and turbulent channel flow. The performance of the model and validity of the underlying assumptions are investigated in detail.

physics.flu-dyn↗

A Priori Estimation Of Memory Effects In Coarse-Grained Nonlinear Systems Using The Mori-Zwanzig Formalism

Reduced Order Models (ROMs) of complex, nonlinear dynamical systems often require closure, which is the process of representing the contribution of the unresolved physics on the resolved physics. The Mori-Zwanzig (M-Z) procedure allows one to write down formally closed evolution equations for the resolved physics. In these equations, the unclosed terms are recast as a memory integral involving the past history of the resolved variables, and a "noise" term. While the M-Z procedure does not directly reduce the complexity of the original system, these equations can serve as a mathematically consistent starting point to develop closures based on approximations of the memory. In this scenario, a priori knowledge of the memory kernel, which is not explicitly known for nonlinear systems, is of paramount importance to assess the validity of a memory approximation. Unraveling the memory kernel requires the determination of the orthogonal dynamics which is a projected high-dimensional partial differential equation that is not tractable in general. A method to estimate the memory kernel a priori, using full-order solution snapshots, is proposed. The main idea is to solve a pseudo orthogonal dynamics equation, that has a convenient Liouville form, instead of the original one. This ersatz arises from the assumption that the semi-group of the orthogonal dynamics operator is a composition operator, akin to semi-groups of Liouville operators, for one observable. The method is exact in the linear case where the kernel is known explicitly. Results for under-resolved simulations of the Burgers and Kuramoto-Sivashinsky equations demonstrate that the proposed technique can accurately reconstruct the transfer of information between the resolved and unresolved dynamics through memory, and provide valuable information about the kernel.

math.NA↗