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Uncertainty Quantification and Sensitivity Analysis for Multiscale Kinetic Equations with Random Inputs

Uncertainty Quantification and Sensitivity Analysis for Multiscale Kinetic Equations with Random Inputs PDF Author: Ruiwen Shu
Publisher:
ISBN:
Category :
Languages : en
Pages : 0

Book Description
This thesis gives an overview of the current results on uncertainty quantification and sensitivity analysis for multiscale kinetic equations with random inputs, with an emphasis on the author's contribution to this field. In the first part of this thesis we consider a kinetic-fluid model for disperse two-phase flows with uncertainty in the fine particle regime. We propose a stochastic asymptotic-preserving (s-AP) scheme in the generalized polynomial chaos stochastic Galerkin (gPC-sG) framework, which allows the efficient computation of the problem in both kinetic and hydrodynamic regimes. The s-AP property is proved by deriving the equilibrium of the gPC version of the Fokker-Planck operator. The coefficient matrices that arise in a Helmholtz equation and a Poisson equation, essential ingredients of the algorithms, are proved to be positive definite under reasonable and mild assumptions. The computation of the gPC version of a translation operator that arises in the inversion of the Fokker-Planck operator is accelerated by a spectrally accurate splitting method. Numerical examples illustrate the s-AP property and the efficiency of the gPC-sG method in various asymptotic regimes. In the second part of this thesis we consider the same kinetic-fluid model with random initial inputs in the light particle regime. Using energy estimates, we prove the uniform regularity in the random space of the model for random initial data near the global equilibrium in some suitable Sobolev spaces, with the randomness in the initial particle distribution and fluid velocity. By hypocoercivity arguments, we prove that the energy decays exponentially in time, which means that the long time behavior of the solution is insensitive to such randomness in the initial data. Then we consider the gPC-sG method for the same model. For initial data near the global equilibrium and smooth enough in the physical and random spaces, we prove that the gPC-sG method has spectral accuracy, uniformly in time and the Knudsen number, and the error decays exponentially in time. In the third part of this thesis we propose a stochastic Galerkin method using sparse wavelet bases for the Boltzmann equation with multi-dimensional random inputs. The method uses locally supported piecewise polynomials as an orthonormal basis of the random space. By a sparse approach, only a moderate number of basis functions is required to achieve good accuracy in multi-dimensional random spaces. We discover a sparse structure of a set of basis-related coefficients, which allows us to accelerate the computation of the collision operator. Regularity of the solution of the Boltzmann equation in the random space and an accuracy result of the stochastic Galerkin method are proved in multi-dimensional cases. The efficiency of the method is illustrated by numerical examples with uncertainties from the initial data, boundary data and collision kernel. In the fourth part of this thesis we explore the possibility of using Generalized polynomial chaos (gPC) for uncertainty quantification in hyperbolic problems. GPC has been extensively used in uncertainty quantification problems to handle random variables. For gPC to be valid, one requires high regularity on the random space that hyperbolic type problems usually cannot provide, and thus it is believed to behave poorly in those systems. We provide a counter-argument, and show that despite the solution profile itself develops singularities in the random space, which prevents the use of gPC, the physical quantities such as shock emergence time, shock location, and shock width are all smooth functions of random variables in the initial data: with proper shifting, the solution's polynomial interpolation approximates with high accuracy. The studies were inspired by the stability results from hyperbolic systems. We use the Burgers' equation as an example for thorough analysis, and the analysis could be extended to general conservation laws with convex fluxes.

Uncertainty Quantification and Sensitivity Analysis for Multiscale Kinetic Equations with Random Inputs

Uncertainty Quantification and Sensitivity Analysis for Multiscale Kinetic Equations with Random Inputs PDF Author: Ruiwen Shu
Publisher:
ISBN:
Category :
Languages : en
Pages : 0

Book Description
This thesis gives an overview of the current results on uncertainty quantification and sensitivity analysis for multiscale kinetic equations with random inputs, with an emphasis on the author's contribution to this field. In the first part of this thesis we consider a kinetic-fluid model for disperse two-phase flows with uncertainty in the fine particle regime. We propose a stochastic asymptotic-preserving (s-AP) scheme in the generalized polynomial chaos stochastic Galerkin (gPC-sG) framework, which allows the efficient computation of the problem in both kinetic and hydrodynamic regimes. The s-AP property is proved by deriving the equilibrium of the gPC version of the Fokker-Planck operator. The coefficient matrices that arise in a Helmholtz equation and a Poisson equation, essential ingredients of the algorithms, are proved to be positive definite under reasonable and mild assumptions. The computation of the gPC version of a translation operator that arises in the inversion of the Fokker-Planck operator is accelerated by a spectrally accurate splitting method. Numerical examples illustrate the s-AP property and the efficiency of the gPC-sG method in various asymptotic regimes. In the second part of this thesis we consider the same kinetic-fluid model with random initial inputs in the light particle regime. Using energy estimates, we prove the uniform regularity in the random space of the model for random initial data near the global equilibrium in some suitable Sobolev spaces, with the randomness in the initial particle distribution and fluid velocity. By hypocoercivity arguments, we prove that the energy decays exponentially in time, which means that the long time behavior of the solution is insensitive to such randomness in the initial data. Then we consider the gPC-sG method for the same model. For initial data near the global equilibrium and smooth enough in the physical and random spaces, we prove that the gPC-sG method has spectral accuracy, uniformly in time and the Knudsen number, and the error decays exponentially in time. In the third part of this thesis we propose a stochastic Galerkin method using sparse wavelet bases for the Boltzmann equation with multi-dimensional random inputs. The method uses locally supported piecewise polynomials as an orthonormal basis of the random space. By a sparse approach, only a moderate number of basis functions is required to achieve good accuracy in multi-dimensional random spaces. We discover a sparse structure of a set of basis-related coefficients, which allows us to accelerate the computation of the collision operator. Regularity of the solution of the Boltzmann equation in the random space and an accuracy result of the stochastic Galerkin method are proved in multi-dimensional cases. The efficiency of the method is illustrated by numerical examples with uncertainties from the initial data, boundary data and collision kernel. In the fourth part of this thesis we explore the possibility of using Generalized polynomial chaos (gPC) for uncertainty quantification in hyperbolic problems. GPC has been extensively used in uncertainty quantification problems to handle random variables. For gPC to be valid, one requires high regularity on the random space that hyperbolic type problems usually cannot provide, and thus it is believed to behave poorly in those systems. We provide a counter-argument, and show that despite the solution profile itself develops singularities in the random space, which prevents the use of gPC, the physical quantities such as shock emergence time, shock location, and shock width are all smooth functions of random variables in the initial data: with proper shifting, the solution's polynomial interpolation approximates with high accuracy. The studies were inspired by the stability results from hyperbolic systems. We use the Burgers' equation as an example for thorough analysis, and the analysis could be extended to general conservation laws with convex fluxes.

Uncertainty Quantification for Multiscale Kinetic Equations and Quantum Dynamics

Uncertainty Quantification for Multiscale Kinetic Equations and Quantum Dynamics PDF Author: Liu Liu
Publisher:
ISBN:
Category :
Languages : en
Pages : 330

Book Description
In the first part of the thesis, we develop a generalized polynomial chaos approach based stochastic Galerkin (gPC-SG) method for the linear semi-conductor Boltzmann equation with random inputs and diffusive scalings. The random inputs are due to uncertainties in the collision kernel or initial data. We study the regularity (uniform in the Knudsen number) of the solution in the random space, and prove the spectral accuracy of the gPC-SG method. We then use the asymptotic-preserving framework for the deterministic counterpart to come up with the stochastic asymptotic-preserving (sAP) gPC-SG method for the problem under study which is efficient in the diffusive regime. Numerical experiments are conducted to validate the accuracy and asymptotic properties of the method. In the second part, we study the linear transport equation under diffusive scaling and with random inputs. The method is based on the gPC-SG framework. Several theoretical aspects will be addressed. A uniform numerical stability with respect to the Knudsen number and a uniform error estimate is given. For temporal and spatial discretizations, we apply the implicit-explicit (IMEX) scheme under the micro-macro decomposition framework and the discontinuous Galerkin (DG) method. A rigorous proof of the sAP property is given. Extensive numerical experiments that validate the accuracy and sAP of the method are shown. In the last part, we study a class of highly oscillatory transport equations that arise in semiclassical modeling of non-adiabatic quantum dynamics. These models contain uncertainties, particularly in coefficients that correspond to the potentials of the molecular system. We first focus on a highly oscillatory scalar model with random uncertainty. Our method is built upon the nonlinear geometrical optics (NGO) based method for numerical approximations of deterministic equations, which can obtain accurate pointwise solution even without numerically resolving spatially and temporally the oscillations. With the random uncertainty, we show that such a method has oscillatory higher order derivatives in the random space, thus requires a frequency dependent discretization in the random space. We modify this method by introducing a new "time" variable based on the phase, which is shown to be non-oscillatory in the random space, based on which we develop a gPC-SG method that can capture oscillations with the frequency-independent time step, mesh size as well as the degree of polynomial chaos. A similar approach is then extended to a semiclassical surface hopping model system with a similar numerical conclusion. Various numerical examples attest that these methods indeed capture accurately the solution statistics pointwisely even though none of the numerical parameters resolve the high frequencies of the solution.

Advances in Numerical Methods for Hyperbolic Balance Laws and Related Problems

Advances in Numerical Methods for Hyperbolic Balance Laws and Related Problems PDF Author: Giacomo Albi
Publisher: Springer Nature
ISBN: 3031298756
Category : Mathematics
Languages : en
Pages : 241

Book Description
A broad range of phenomena in science and technology can be described by non-linear partial differential equations characterized by systems of conservation laws with source terms. Well known examples are hyperbolic systems with source terms, kinetic equations, and convection-reaction-diffusion equations. This book collects research advances in numerical methods for hyperbolic balance laws and kinetic equations together with related modelling aspects. All the contributions are based on the talks of the speakers of the Young Researchers’ Conference “Numerical Aspects of Hyperbolic Balance Laws and Related Problems”, hosted at the University of Verona, Italy, in December 2021.

Uncertainty Quantification in Multiscale Materials Modeling

Uncertainty Quantification in Multiscale Materials Modeling PDF Author: Yan Wang
Publisher: Woodhead Publishing Limited
ISBN: 0081029411
Category : Materials science
Languages : en
Pages : 604

Book Description
Uncertainty Quantification in Multiscale Materials Modeling provides a complete overview of uncertainty quantification (UQ) in computational materials science. It provides practical tools and methods along with examples of their application to problems in materials modeling. UQ methods are applied to various multiscale models ranging from the nanoscale to macroscale. This book presents a thorough synthesis of the state-of-the-art in UQ methods for materials modeling, including Bayesian inference, surrogate modeling, random fields, interval analysis, and sensitivity analysis, providing insight into the unique characteristics of models framed at each scale, as well as common issues in modeling across scales.

Proceedings Of The International Congress Of Mathematicians 2018 (Icm 2018) (In 4 Volumes)

Proceedings Of The International Congress Of Mathematicians 2018 (Icm 2018) (In 4 Volumes) PDF Author: Sirakov Boyan
Publisher: World Scientific
ISBN: 9813272899
Category : Mathematics
Languages : en
Pages : 5396

Book Description
The Proceedings of the ICM publishes the talks, by invited speakers, at the conference organized by the International Mathematical Union every 4 years. It covers several areas of Mathematics and it includes the Fields Medal and Nevanlinna, Gauss and Leelavati Prizes and the Chern Medal laudatios.

Uncertainty Quantification and Predictive Computational Science

Uncertainty Quantification and Predictive Computational Science PDF Author: Ryan G. McClarren
Publisher: Springer
ISBN: 3319995251
Category : Science
Languages : en
Pages : 345

Book Description
This textbook teaches the essential background and skills for understanding and quantifying uncertainties in a computational simulation, and for predicting the behavior of a system under those uncertainties. It addresses a critical knowledge gap in the widespread adoption of simulation in high-consequence decision-making throughout the engineering and physical sciences. Constructing sophisticated techniques for prediction from basic building blocks, the book first reviews the fundamentals that underpin later topics of the book including probability, sampling, and Bayesian statistics. Part II focuses on applying Local Sensitivity Analysis to apportion uncertainty in the model outputs to sources of uncertainty in its inputs. Part III demonstrates techniques for quantifying the impact of parametric uncertainties on a problem, specifically how input uncertainties affect outputs. The final section covers techniques for applying uncertainty quantification to make predictions under uncertainty, including treatment of epistemic uncertainties. It presents the theory and practice of predicting the behavior of a system based on the aggregation of data from simulation, theory, and experiment. The text focuses on simulations based on the solution of systems of partial differential equations and includes in-depth coverage of Monte Carlo methods, basic design of computer experiments, as well as regularized statistical techniques. Code references, in python, appear throughout the text and online as executable code, enabling readers to perform the analysis under discussion. Worked examples from realistic, model problems help readers understand the mechanics of applying the methods. Each chapter ends with several assignable problems. Uncertainty Quantification and Predictive Computational Science fills the growing need for a classroom text for senior undergraduate and early-career graduate students in the engineering and physical sciences and supports independent study by researchers and professionals who must include uncertainty quantification and predictive science in the simulations they develop and/or perform.

Trails in Kinetic Theory

Trails in Kinetic Theory PDF Author: Giacomo Albi
Publisher: Springer Nature
ISBN: 3030671046
Category : Science
Languages : en
Pages : 251

Book Description
In recent decades, kinetic theory - originally developed as a field of mathematical physics - has emerged as one of the most prominent fields of modern mathematics. In recent years, there has been an explosion of applications of kinetic theory to other areas of research, such as biology and social sciences. This book collects lecture notes and recent advances in the field of kinetic theory of lecturers and speakers of the School “Trails in Kinetic Theory: Foundational Aspects and Numerical Methods”, hosted at Hausdorff Institute for Mathematics (HIM) of Bonn, Germany, 2019, during the Junior Trimester Program “Kinetic Theory”. Focusing on fundamental questions in both theoretical and numerical aspects, it also presents a broad view of related problems in socioeconomic sciences, pedestrian dynamics and traffic flow management.

Quantification of Uncertainty: Improving Efficiency and Technology

Quantification of Uncertainty: Improving Efficiency and Technology PDF Author: Marta D'Elia
Publisher: Springer Nature
ISBN: 3030487210
Category : Mathematics
Languages : en
Pages : 290

Book Description
This book explores four guiding themes – reduced order modelling, high dimensional problems, efficient algorithms, and applications – by reviewing recent algorithmic and mathematical advances and the development of new research directions for uncertainty quantification in the context of partial differential equations with random inputs. Highlighting the most promising approaches for (near-) future improvements in the way uncertainty quantification problems in the partial differential equation setting are solved, and gathering contributions by leading international experts, the book’s content will impact the scientific, engineering, financial, economic, environmental, social, and commercial sectors.

Uncertainty Quantification

Uncertainty Quantification PDF Author: Ralph C. Smith
Publisher: SIAM
ISBN: 1611973228
Category : Computers
Languages : en
Pages : 400

Book Description
The field of uncertainty quantification is evolving rapidly because of increasing emphasis on models that require quantified uncertainties for large-scale applications, novel algorithm development, and new computational architectures that facilitate implementation of these algorithms. Uncertainty Quantification: Theory, Implementation, and Applications provides readers with the basic concepts, theory, and algorithms necessary to quantify input and response uncertainties for simulation models arising in a broad range of disciplines. The book begins with a detailed discussion of applications where uncertainty quantification is critical for both scientific understanding and policy. It then covers concepts from probability and statistics, parameter selection techniques, frequentist and Bayesian model calibration, propagation of uncertainties, quantification of model discrepancy, surrogate model construction, and local and global sensitivity analysis. The author maintains a complementary web page where readers can find data used in the exercises and other supplementary material.

Sensitivity Analysis in Multiscale, Multi-physics Problems

Sensitivity Analysis in Multiscale, Multi-physics Problems PDF Author: Kimoon Um
Publisher:
ISBN:
Category :
Languages : en
Pages : 105

Book Description
This dissertation deals with multiscale and multi-physics mathematical modeling and global sensitivity analysis. Multiscale and multi-physics problems are ubiquitous in every field of science and engineering. For example, micro- or even nano-scale material properties often influence their large-scale properties, and microscopic interfaces between different materials affect bulk transport phenomena. We develop and deploy methods of global (variance-based) sensitivity analysis to determine how, and to what degree, nano-scale characteristics of (nano)porous materials affect and give rise to bulk (Darcy-scale) properties. We deploy stochastic multiscale algorithms to solve several problems of relevance in materials science and biology, and conduct rigorous sensitivity analysis and uncertainty quantification. In Chapter 2, we present a novel hybrid algorithm to ameliorate high computational costs typical of multiscale, multi-physics simulations, and apply it to solve a chemotaxis-diffusion-reaction problem. In Chapter 3, we report on our pore- and multi-scale simulations and perform a global (variance based) sensitivity analysis for uncorrelated input parameters. This chapter also contains results of our uncertainty quantification analysis for this multiscale problem, which is based on a (generalized) polynomial chaos expansion (gPCE). This UQ strategy can be used to identify a set of pore-scale characteristics for robust materials design. In Chapter 4, we introduce a novel graph-theoretic approach to conduct global sensitivity analyses in the presence of correlated inputs.