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At least 1,063 records · Page 59

Regularization by denoising diffusion models for solving inverse PDE problems with application to full waveform inversion

Partial differential equation (PDE)-governed inverse problems are fundamental across various scientific and engineering applications; yet they face significant challenges due to nonlinearity, ill-posedness, and sensitivity to noise. Here, we introduce a computational framework, regularization by denoising using diffusion models for partial differential equations (RED-DiffEq), by integrating physics-driven inversion and data-driven learning. RED-DiffEq leverages pretrained diffusion models as a regularization mechanism for PDE-governed inverse problems. We apply RED-DiffEq to solve the full waveform inversion problem in geophysics, a challenging seismic imaging technique that seeks to reconstruct high-resolution subsurface velocity models from seismic measurement data. Our method shows enhanced accuracy and robustness compared to benchmark methods. Additionally, it exhibits strong generalization and domain decomposition capacity, enabling the inversion of more complex velocity models with larger domains than those used in training the diffusion model. Our framework can also be directly applied to diverse PDE-governed inverse problems.

Shan, Siming [Yale University, New Haven, CT (Unit↗

Nonlinear Asymptotic Integration Algorithms for One-dimensional Autonomous Dissipative First-order Odes

Nonlinear asymptotic integrators are applied to one-dimensional, nonlinear, autonomous, dissipative, ordinary differential equations. These integrators, including a one-step explicit, a one-step implicit, and a one- and two-step midpoint algorithm, are designed to follow the asymptotic behavior of a system approaching a steady state. The methods require that the differential equation be written in a particular asymptotic form. This is always possible for a one-dimensional equation with a globally asymptotic steady state. In this case, conditions are obtained to guarantee that the implicit algorithms are well defined. Further conditions are determined for the implicit methods to be contractive. These methods are all first order accurate, while under certain conditions the midpoint algorithms may also become second order accurate. The stability of each method is investigated and an estimate of the local error is provided.

Haslach, Henry W., Jr.↗

Generalized Functions for the Fractional Calculus

Previous papers have used two important functions for the solution of fractional order differential equations, the Mittag-Leffler functionE(sub q)[at(exp q)](1903a, 1903b, 1905), and the F-function F(sub q)[a,t] of Hartley & Lorenzo (1998). These functions provided direct solution and important understanding for the fundamental linear fractional order differential equation and for the related initial value problem (Hartley and Lorenzo, 1999). This paper examines related functions and their Laplace transforms. Presented for consideration are two generalized functions, the R-function and the G-function, useful in analysis and as a basis for computation in the fractional calculus. The R-function is unique in that it contains all of the derivatives and integrals of the F-function. The R-function also returns itself on qth order differ-integration. An example application of the R-function is provided. A further generalization of the R-function, called the G-function brings in the effects of repeated and partially repeated fractional poles.

Lorenzo, Carl F.↗

Efficient numerical algorithm for multi-level ionization of high-atomic-number gases

An efficient numerical algorithm for laser driven multi-level ionization of high-atomic-number gases is proposed and implemented in an electromagnetic particle-in-cell code SPACE. The algorithm is based on analytical solutions to the system of differential equations describing ionization evolution. Using analytical solutions resolves the multiscale issue of ionization due to different characteristic time scales of ionization processes and the main code time step. Algorithm efficiency and memory requirements are significantly improved by using a locally reduced system of differential equations. The algorithm also assigns proper orbital quantum numbers and their projections to ionization states. The algorithm is verified and validated using experimental data.

Cheng, A. (ORCID:000000021945282X)↗

ILI Code

This R code consists of three scripts, described below. 1. ILI_LHC_sample.R The first script generate 10,000 samples from the total parameter space formed by the ranges of the following five parameters inputted into the ILI model: transmission rate (beta), per capita rate of progress from exposed to infectious state (gamma_1), per capita rate of progress through initial infectious state (gamma_2), per capita rate of progress through hospitalized state (gamma_3), and per capita rate of progress through non-hospitalized infectious state (gamma_4). The output is LHS_samples.csv, for input into the global sensitivity script, ILI_SEIR. 2. ILI_SEIR.R The second script solves a standard Susceptible-Exposed-Infected- Recovered (SEIR) model (a system of Ordinary Differential Equations (ODEs)), runs global sensitivity analyses, and generates plots showing the impact of the input variables on the response variables for each virus. 3. virus_sims.R The third script solves a standard Susceptible-Exposed-Infected- Recovered (SEIR) model (a system of Ordinary Differential Equations (ODEs)), aimed at modeling outbreaks for five common upper respiratory viruses within a contained population. The output of this code is an epidemic curve to show timing and magnitude of the epidemic peak for each virus. Note: for all three scripts, the parameter values must be hard-coded by the user or the output will not be accurate.

Spencer, Julie↗

A refined analysis of composite laminates

The purpose of this paper is to develop a sufficiently accurate analysis, which is much simpler than exact three-dimensional analysis, for statics and dynamics of composite laminates. The governing differential equations and boundary conditions are derived by following a variational approach. The displacements are assumed piecewise linear across the thickness and the effects of transverse shear deformations and rotary inertia are included. A procedure for obtaining the general solution of the above governing differential equations in the form of hyperbolic-trigonometric series is given. The accuracy of the present theory is assessed by obtaining results for free vibrations and flexure of simply supported rectangular laminates and comparing them with results from exact three-dimensional analysis.

Srinivas, S.↗

Multiphysics Time-Integration for Turbulent Combustion at the Exascale

Turbulent reacting flow systems are often modeled with coupled time-dependent partial differential equations (PDEs). Solving such equations can easily tax the world's largest supercomputers. One pragmatic strategy for attacking such problems is to split the PDEs into components that can more easily be solved in isolation. This generic operator-splitting strategy leads to a set of ordinary differential equations (ODEs) that need to be solved as part of an "outer-loop" time-stepping approach. In many combustion applications, the ODEs to be solved can be very stiff, exhibiting timescales that span many orders of magnitude. The SUNDIALS library provides a plethora of robust time integration algorithms for solving these ODEs on exascale-capable computing hardware, yet for many complex applications (such multicomponent fuels or emissions predictions), the chemical models remain too complex to solve using reasonable resources. The Quasi-Steady State Approximation (QSSA) can be an effective tool for reducing the size and stiffness of the simulations. In this talk, I will discuss the use of the SUDIALS library of ODE solvers together with automatic code generation tools to solve complex turbulent reacting flow problems using QSSA models.

chemistry↗

Stability of semidiscrete approximations for hyperbolic initial-boundary-value problems: An eigenvalue analysis

A hyperbolic initial-boundary-value problem can be approximated by a system of ordinary differential equations (ODEs) by replacing the spatial derivatives by finite-difference approximations. The resulting system of ODEs is called a semidiscrete approximation. A complication is the fact that more boundary conditions are required for the spatially discrete approximation than are specified for the partial differential equation. Consequently, additional numerical boundary conditions are required and improper treatment of these additional conditions can lead to instability. For a linear initial-boundary-value problem (IBVP) with homogeneous analytical boundary conditions, the semidiscrete approximation results in a system of ODEs of the form du/dt = Au whose solution can be written as u(t) = exp(At)u(O). Lax-Richtmyer stability requires that the matrix norm of exp(At) be uniformly bounded for O less than or = t less than or = T independent of the spatial mesh size. Although the classical Lax-Richtmyer stability definition involves a conventional vector norm, there is no known algebraic test for the uniform boundedness of the matrix norm of exp(At) for hyperbolic IBVPs. An alternative but more complicated stability definition is used in the theory developed by Gustafsson, Kreiss, and Sundstrom (GKS). The two methods are compared.

Warming, Robert F.↗

Distributed Minimal Residual (DMR) method for acceleration of iterative algorithms

A new method for enhancing the convergence rate of iterative algorithms for the numerical integration of systems of partial differential equations was developed. It is termed the Distributed Minimal Residual (DMR) method and it is based on general Krylov subspace methods. The DMR method differs from the Krylov subspace methods by the fact that the iterative acceleration factors are different from equation to equation in the system. At the same time, the DMR method can be viewed as an incomplete Newton iteration method. The DMR method was applied to Euler equations of gas dynamics and incompressible Navier-Stokes equations. All numerical test cases were obtained using either explicit four stage Runge-Kutta or Euler implicit time integration. The formulation for the DMR method is general in nature and can be applied to explicit and implicit iterative algorithms for arbitrary systems of partial differential equations.

Lee, Seungsoo↗

Application of Model Based Parameter Estimation for Fast Frequency Response Calculations of Input Characteristics of Cavity-Backed Aperture Antennas Using Hybrid FEM/MoM Technique

Model Based Parameter Estimation (MBPE) is presented in conjunction with the hybrid Finite Element Method (FEM)/Method of Moments (MoM) technique for fast computation of the input characteristics of cavity-backed aperture antennas over a frequency range. The hybrid FENI/MoM technique is used to form an integro-partial- differential equation to compute the electric field distribution of a cavity-backed aperture antenna. In MBPE, the electric field is expanded in a rational function of two polynomials. The coefficients of the rational function are obtained using the frequency derivatives of the integro-partial-differential equation formed by the hybrid FEM/ MoM technique. Using the rational function approximation, the electric field is obtained over a frequency range. Using the electric field at different frequencies, the input characteristics of the antenna are obtained over a wide frequency range. Numerical results for an open coaxial line, probe-fed coaxial cavity and cavity-backed microstrip patch antennas are presented. Good agreement between MBPE and the solutions over individual frequencies is observed.

Reddy C. J.↗

A perturbation method and some applications

For differential equations with one fast variable, a perturbation method is introduced that transforms a solution valid over only a short time interval to a new solution composed of averaged variables plus a periodic function of the averaged variables. The averaged variables are governed by a set of differential equations where the fast variable has been removed and thus can be numerically integrated quickly or solved directly. This method is applied to a perturbed harmonic oscillator with a cubic perturbation, van der Pol's equation, coorbital motion in the restricted three-body problem, and to nearly circular motion of a particle near one of the primaries in the restricted three-body problem.

Konopliv, Alex↗

Applications of estimation theory to numerical weather prediction

Numerical weather prediction (NWP) is an initial value problem for a system of nonlinear partial differential equations in which the initial values are known only incompletely and inaccurately. Data at initial time can be supplemented, however, by observations of the system distributed over a time interval preceding it. Estimation theory was successful in approaching such problems for models governed by systems of ordinary differential equations and of linear PDEs. Estimation-theoretic methods for NWP are developed. A model exhibiting many features of large scale atmospheric flow important in NWP is the one governed by the shallow fluid equations. The estimation problem for a linearized formulation of these equations is studied. A finite difference version of the equations is used as a forecast model to simulate the numerical models used in NWP.

Cohn, S.↗

Optimization-based design of control systems for flexible structures

The purpose of this presentation is to show that it is possible to use nonsmooth optimization algorithms to design both closed-loop finite dimensional compensators and open-loop optimal controls for flexible structures modeled by partial differential equations. An important feature of our approach is that it does not require modal decomposition and hence is immune to instabilities caused by spillover effects. Furthermore, it can be used to design control systems for structures that are modeled by mixed systems of coupled ordinary and partial differential equations.

Polak, E.↗

The Exact Solution for Linear Thermoelastic Axisymmetric Deformations of Generally Laminated Circular Cylindrical Shells

A detailed exact solution is presented for laminated-composite circular cylinders with general wall construction and that undergo axisymmetric deformations. The overall solution is formulated in a general, systematic way and is based on the solution of a single fourth-order, nonhomogeneous ordinary differential equation with constant coefficients in which the radial displacement is the dependent variable. Moreover, the effects of general anisotropy are included and positive-definiteness of the strain energy is used to define uniquely the form of the basis functions spanning the solution space of the ordinary differential equation. Loading conditions are considered that include axisymmetric edge loads, surface tractions, and temperature fields. Likewise, all possible axisymmetric boundary conditions are considered. Results are presented for five examples that demonstrate a wide range of behavior for specially orthotropic and fully anisotropic cylinders.

Nemeth, Michael P.↗

Frequency Response Calculations of Input Characteristics of Cavity-Backed Aperture Antennas Using AWE with Hybrid FEM/MoM Technique

Application of Asymptotic Waveform Evaluation (AWE) is presented in conjunction with a hybrid Finite Element Method (FEM)/Method of Moments (MoM) technique to calculate the input characteristics of cavity-backed aperture antennas over a frequency range. The hybrid FEM/MoM technique is used to form an integro-partial-differential equation to compute the electric field distribution of the cavity-backed aperture antenna. The electric field, thus obtained, is expanded in a Taylor series around the frequency of interest. The coefficients of 'Taylor series (called 'moments') are obtained using the frequency derivatives of the integro-partial-differential Equation formed by the hybrid FEM/MoM technique. Using the moments, the electric field in the cavity is obtained over a frequency range. Using the electric field at different frequencies, the input characteristics of the antenna are obtained over a wide frequency band. Numerical results for an open coaxial line, probe fed cavity, and cavity-backed microstrip patch antennas are presented. Good agreement between AWE and the exact solution over the frequency range is observed.

Reddy, C. J.↗

Tusas: A fully implicit parallel approach for coupled phase-field equations

In this study, we develop a fully-coupled, fully-implicit approach for phase-field modeling of solidification in metals and alloys. Predictive simulation of solidification in pure metals and metal alloys remains a significant challenge in the field of materials science, as microstructure formation during the solidification process plays a critical role in the properties and performance of the solid material. Our simulation approach consists of a finite element spatial discretization of the fully-coupled nonlinear system of partial differential equations at the microscale, which is treated implicitly in time with a preconditioned Jacobian-free Newton-Krylov method. The approach is algorithmically scalable as well as efficient due to an effective preconditioning strategy based on algebraic multigrid and block factorization. We implement this approach in the open-source Tusas framework, which is a general, flexible tool developed in C++ for solving coupled systems of nonlinear partial differential equations. The performance of our approach is analyzed in terms of algorithmic scalability and efficiency, while the computational performance of Tusas is presented in terms of parallel scalability and efficiency on emerging heterogeneous architectures. We demonstrate that modern algorithms, discretizations, and computational science, and heterogeneous hardware provide a robust route for predictive phase-field simulation of microstructure evolution during additive manufacturing.

97 MATHEMATICS AND COMPUTING↗