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Results for “algorithmic differentiation”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
NASA NTRS1990

Kalman filter based range estimation for autonomous navigation using imaging sensors

Rotorcraft operating in high-threat environments fly close to the surface of the earth to utilize surrounding terrain, vegetation, or man-made objects to minimize the risk of being detected by the enemy. Two basic requirements for obstacle avoidance are detection and range estimation of the object from the current rotorcraft position. There are many approaches to the estimation of range using a sequence of images. The approach used in this analysis differes from previous methods in two significant ways: an attempt is not made to estimate the rotorcraft's motion from the images; and the interest lies in recursive algorithms. The rotorcraft parameters are assumed to be computed using an onboard inertial navigation system. Given a sequence of images, using image-object differential equations, a Kalman filter (Sridhar and Phatak, 1988) can be used to estimate both the relative coordinates and the earth coordinates of the objects on the ground. The Kalman filter can also be used in a predictive mode to track features in the images, leading to a significant reduction of search effort in the feature extraction step of the algorithm. The purpose is to summarize early results obtained in extending the Kalman filter for use with actual image sequences. The experience gained from the application of this algorithm to real images is very valuable and is a necessary step before proceeding to the estimation of range during low-altitude curvilinear flight. A simple recursive method is presented to estimate range to objects using a sequence of images. The method produces good range estimates using real images in a laboratory set up and needs to be evaluated further using several different image sequences to test its robustness. The feature generation part of the algorithm requires further refinement on the strategies to limit the number of features (Sridhar and Phatak, 1989). The extension of the work reported here to curvilinear flight may require the use of the extended Kalman filter.

Sridhar, Banavar↗
DOE OSTI2010

Higher-order phase shift reconstruction approach

Purpose: Biological soft tissues encountered in clinical and preclinical imaging mainly consists of atoms of light elements with low atomic numbers and their elemental composition is nearly uniform with little density variation. Hence, x-ray attenuation contrast is relatively poor and cannot achieve satisfactory sensitivity and specificity. In contrast, x-ray phase-contrast provides a new mechanism for soft tissue imaging. The x-ray phase shift of soft tissues is about a thousand times greater than the x-ray absorption over the diagnostic x-ray energy range, yielding a higher signal-to-noise ratio than the attenuation contrast counterpart. Thus, phase-contrast imaging is a promising technique to reveal detailed structural variation in soft tissues, offering a high contrast resolution between healthy and malignant tissues. Here the authors develop a novel phase retrieval method to reconstruct the phase image on the object plane from the intensity measurements. The reconstructed phase image is a projection of the phase shift induced by an object and serves as input to reconstruct the 3D refractive index distribution inside the object using a tomographic reconstruction algorithm. Such x-ray refractive index images can reveal structural features in soft tissues, with excellent resolution differentiating healthy and malignant tissues. Methods: A novel phase retrieval approach is proposed to reconstruct an x-ray phase image of an object based on the paraxial Fresnel-Kirchhoff diffraction theory. A primary advantage of the authors' approach is higher-order accuracy over that with the conventional linear approximation models, relaxing the current restriction of slow phase variation. The nonlinear terms in the autocorrelation equation of the Fresnel diffraction pattern are eliminated using intensity images measured at different distances in the Fresnel diffraction region, simplifying the phase reconstruction to a linear inverse problem. Numerical experiments are performed to demonstrate the accuracy and stability of the proposed approach. Results: The proposed reconstruction formula is a generalization of the transport of intensity equation (TIE). It has the second-order accuracy compared to the linear model used in the conventional phase retrieval approach. The numerical experiments demonstrate that the accuracy and stability of the proposed phase reconstruction method outperforms the TIE-based reconstruction method. Conclusions: A novel approach has been proposed to retrieve an x-ray phase shift image induced by an object from intensity images measured at different distances in the Fresnel diffraction region. The authors' approach has the second-order accuracy and is able to retrieve the phase shift of an object stably, overcoming the restriction of slow phase variation assumed by the conventional phase retrieval techniques.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Solving differential‐algebraic equations in power system dynamic analysis with quantum computing

Abstract Power system dynamics are generally modeled by high dimensional non‐linear differential‐algebraic equations (DAEs) given a large number of components forming the network. These DAEs' complexity can grow exponentially due to the increasing penetration of distributed energy resources, whereas their computation time becomes sensitive due to the increasing interconnection of the power grid with other energy systems. This paper demonstrates the use of quantum computing algorithms to solve DAEs for power system dynamic analysis. We leverage a symbolic programming framework to equivalently convert the power system's DAEs into ordinary differential equations (ODEs) using index reduction methods and then encode their data into qubits using amplitude encoding. The system non‐linearity is captured by Hamiltonian simulation with truncated Taylor expansion so that state variables can be updated by a quantum linear equation solver. Our results show that quantum computing can solve the power system's DAEs accurately with a computational complexity polynomial in the logarithm of the system dimension. We also illustrate the use of recent advanced tools in scientific machine learning for implementing complex computing concepts, that is, Taylor expansion, DAEs/ODEs transformation, and quantum computing solver with abstract representation for power engineering applications.

computational complexity↗
DOE OSTI2023

Primal-Dual Differentiable Programming for Distribution System Critical Load Restoration: Preprint

Swift and reliable critical load restoration (CLR) can help make a distribution system resilient towards extreme events. To optimally achieve that, alongside practical concerns such as limiting online computational burden, some studies leverage model-free reinforcement learning (RL) to train control policies. Despite the advantages provided by RL algorithms, these approaches suffer from two issues: 1) the lack of a proper mechanism for constraint enforcement, and 2) poor sample efficiency. Therefore, in this paper, a primal-dual differentiable programming (PDDP) method is developed for guiding the training leading to a constraint-satisfying policy. Additionally, the model-based nature of the proposed method aims at improving sample efficiency. The experiment on a CLR problem demonstrates that PDDP can effectively train a control policy that both achieves desirable performance and satisfies required constraints.

differentiable programming↗
NASA NTRS1993

The use of linked lists in the simulation of controller-structure interaction

An algorithm for the computer simulation of large space structures under active control is considered. Linked lists are used in a matrix data structure to implement the trapezoidal rule on system differential equations. The use of the trapezoidal rule ensures that the numerical stability is equivalent to the system stability, which is essential for this type of simulation. The sparsity of the system matrices is exploited by the linked lists, and the algorithm efficiently steps through the lists in an orderly fashion. Results of simulations on a NASA large space structure experiment are reported.

Quan, R.↗
DOE OSTI2014

Massively parallel solvers for elliptic partial differential equations in numerical weather and climate prediction

The demand for substantial increases in the spatial resolution of global weather and climate prediction models makes it essential to use numerically efficient and highly scalable algorithms to solve the equations of large-scale atmospheric fluid dynamics. For stability and efficiency reasons, several of the operational forecasting centres, in particular the Met Office and the European Centre for Medium-Range Weather Forecasts (ECMWF) in the UK, use semi-implicit semi-Lagrangian time-stepping in the dynamical core of the model. The additional burden with this method is that a three-dimensional elliptic partial differential equation (PDE) for the pressure correction has to be solved at every model time step and this often constitutes a significant proportion of the time spent in the dynamical core. In global models, this PDE must be solved in a thin spherical shell. To run within tight operational time-scales, the solver has to be parallelized and there seems to be a (perceived) misconception that elliptic solvers do not scale to large processor counts and hence implicit time-stepping cannot be used in very high-resolution global models. After reviewing several methods for solving the elliptic PDE for the pressure correction and their application in atmospheric models, we demonstrate the performance and very good scalability of Krylov subspace solvers and multigrid algorithms for a representative model equation with more than 1010 unknowns on 65 536 cores on the High-End Computing Terascale Resource (HECToR), the UK's national supercomputer. Here, we tested and optimized solvers from two existing numerical libraries (the Distributed and Unified Numerics Environment (DUNE) and Parallel High Performance Preconditioners (hypre)) and implemented both a conjugate gradient solver and a geometric multigrid algorithm based on a tensor-product approach, which exploits the strong vertical anisotropy of the discretized equation. We study both weak and strong scalability and compare the absolute solution times for all methods; in contrast to one-level methods, the multigrid solver is robust with respect to parameter variations.

58 GEOSCIENCES↗
DOE OSTI2020

Multigrid-Reduction-in-Time for the Rotating Shallow Water Equations

We consider multilevel time-parallel methods for the numerical solution of the rotating shallow water equations. In particular, the multigrid-reduction-in-time (MGRIT) algorithm is used for the parallel time integration. An asymptotic model is used at the coarse levels while the full model is employed at the finer levels. The asymptotic model is well-suited for highly oscillatory partial differential equations like the rotating shallow water equations because it can accurately and stably take the required large time-steps on coarse levels. Our work exploits the flexibility of the MGRIT algorithm in terms of the number of levels and relaxation schemes to show some computational benefits, especially with respect to FCF-relaxation and data reuse.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Encoding nonlinear and unsteady aerodynamics of limit cycle oscillations using nonlinear sparse Bayesian learning

This article investigates the applicability of a recently proposed, nonlinear sparse Bayesian learning (NSBL) algorithm to identify and estimate the complex aerodynamics of limit cycle oscillations. NSBL provides a semi-analytical framework for determining the data-optimal sparse model nested within a (potentially) over-parameterized model. This is particularly relevant to nonlinear dynamical systems where modelling approaches involve the use of physics-based and data-driven components. In such cases, the data-driven components, where analytical descriptions of the physical processes are not readily available, are often prone to overfitting, meaning that the empirical aspects of these models will often involve the calibration of an unnecessarily large number of parameters. While an overparameterized model may fit the observed data well, such models may be inadequate for making predictions in regimes that are different from those wherein the data were recorded. In view of this, it is desirable to not only calibrate the model parameters, but also identify the optimal compromise between data fit and model complexity. In this article, we exhibit the optimal model discovery for an aeroelastic system wherein the structural dynamics are well-known and described by a differential equation model, coupled with a semi-empirical aerodynamic model for laminar separation flutter, resulting in low-amplitude limit cycle oscillations (LCO). To illustrate the performance of the algorithm, in this article, we use synthetic data and demonstrate the ability of the algorithm to correctly rediscover the optimal model and model parameters, given a known data-generating model. The synthetic data are generated from a forward simulation of a known differential equation model with parameters selected so as to mimic the dynamics observed in wind-tunnel experiments. Subsequently, we demonstrate the performance of the algorithm for model selection using noisy LCO data from wind tunnel experiments. As there is no ground truth available for the experimental data case, we provide a comparison between NSBL and Bayesian model selection to validate the results, and demonstrate the use of NSBL as an efficient alternative to traditional methods.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1993

Grid and aerodynamic sensitivity analyses of airplane components

An algorithm is developed to obtain the grid sensitivity with respect to design parameters for aerodynamic optimization. The procedure is advocating a novel (geometrical) parameterization using spline functions such as NURBS (Non-Uniform Rational B-Splines) for defining the wing-section geometry. An interactive algebraic grid generation technique, known as Two-Boundary Grid Generation (TBGG) is employed to generate C-type grids around wing-sections. The grid sensitivity of the domain with respect to geometric design parameters has been obtained by direct differentiation of the grid equations. A hybrid approach is proposed for more geometrically complex configurations such as a wing or fuselage. The aerodynamic sensitivity coefficients are obtained by direct differentiation of the compressible two-dimensional thin-layer Navier-Stokes equations. An optimization package has been introduced into the algorithm in order to optimize the wing-section surface. Results demonstrate a substantially improved design due to maximized lift/drag ratio of the wing-section.

Sadrehaghighi, Ideen↗
NASA NTRS1993

The use of linked lists in the simulation of controller-structure interaction

An algorithm for the computer simulation of large space structures under active control is considered. Linked lists are used in a matrix data structure to implement the trapezoidal rule on the system differential equations. The use of the trapezoidal rule ensures that the numerical stability is equivalent to the system stability, which is essential for this type of simulation. The sparsity of the system matrices is exploited by the linked lists, and the algorithm efficiently steps through the lists in an orderly fashion. Results of simulations on a NASA large space structure experiment are reported.

Quan, Ralph↗
DOE OSTI2015

Explicit integration with GPU acceleration for large kinetic networks

We demonstrate the first implementation of recently-developed fast explicit kinetic integration algorithms on modern graphics processing unit (GPU) accelerators. Taking as a generic test case a Type Ia supernova explosion with an extremely stiff thermonuclear network having 150 isotopic species and 1604 reactions coupled to hydrodynamics using operator splitting, we demonstrate the capability to solve of order 100 realistic kinetic networks in parallel in the same time that standard implicit methods can solve a single such network on a CPU. This orders-of-magnitude decrease in computation time for solving systems of realistic kinetic networks implies that important coupled, multiphysics problems in various scientific and technical fields that were intractable, or could be simulated only with highly schematic kinetic networks, are now computationally feasible.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Multigrid treatment of implicit continuum diffusion

Implicit treatment of diffusive terms of various differential orders common in continuum mechanics modeling, such as computational fluid dynamics, is investigated with spectral and multigrid algorithms in non-periodic 2D domains. In doubly periodic time dependent problems these terms are handled efficiently by spectral methods, but in non-periodic systems solved with distributed memory parallel computing and 2D domain decomposition, this efficiency is lost for a large number of processors. Here, we built and present here a multigrid algorithm for these types of problems that outperforms a spectral solution employing the highly optimized FFTW library. This solver is suitable for high performance computing and may be able to efficiently treat implicit diffusion of arbitrary order by introducing auxiliary equations of lower order. We test these solvers for fourth and sixth order diffusion with harmonic test functions as well as turbulent 2D magnetohydrodynamic simulations. It is also shown that an anisotropic operator without mixed-derivative terms improves model accuracy and speed, and we examine the impact that the various diffusion operators have on the energy, the enstrophy, and the qualitative aspect of a simulation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2012

Perfectly matched layers in a divergence preserving ADI scheme for electromagnetics

For numerical simulations of highly relativistic and transversely accelerated charged particles including radiation fast algorithms are needed. While the radiation in particle accelerators has wavelengths in the order of 100 {mu}m the computational domain has dimensions roughly five orders of magnitude larger resulting in very large mesh sizes. The particles are confined to a small area of this domain only. To resolve the smallest scales close to the particles subgrids are envisioned. For reasons of stability the alternating direction implicit (ADI) scheme by Smithe et al. [D.N. Smithe, J.R. Cary, J.A. Carlsson, Divergence preservation in the ADI algorithms for electromagnetics, J. Comput. Phys. 228 (2009) 7289-7299] for Maxwell equations has been adopted. At the boundary of the domain absorbing boundary conditions have to be employed to prevent reflection of the radiation. In this paper we show how the divergence preserving ADI scheme has to be formulated in perfectly matched layers (PML) and compare the performance in several scenarios.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Physics-informed neural networks: A deep learning framework for solving forward and inverse problems involving nonlinear partial differential equations

Hejre, we introduce physics-informed neural networks – neural networks that are trained to solve supervised learning tasks while respecting any given laws of physics described by general nonlinear partial differential equations. In this work, we present our developments in the context of solving two main classes of problems: data-driven solution and data-driven discovery of partial differential equations. Depending on the nature and arrangement of the available data, we devise two distinct types of algorithms, namely continuous time and discrete time models. The first type of models forms a new family of data-efficient spatio-temporal function approximators, while the latter type allows the use of arbitrarily accurate implicit Runge–Kutta time stepping schemes with unlimited number of stages. Moreover, the effectiveness of the proposed framework is demonstrated through a collection of classical problems in fluids, quantum mechanics, reaction–diffusion systems, and the propagation of nonlinear shallow-water waves.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2011

Algorithms for lattice QCD: progress and challenges

The development of improved algorithms for QCD on the lattice has enabled us to do calculations at small quark masses and get control over the chiral extrapolation. Also finer lattices have become possible, however, a severe slowing down associated with the topology of the gauge fields has been observed. This may prevent simulations of lattices fine enough for controlling the continuum extrapolation. This conference contribution introduces the basic concepts behind contemporary lattice algorithms, the current knowledge about their slowing down towards the continuum and its consequences for future lattice simulations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2011

Nonlinear wake potential and stopping power for charged particles interacting with a one-dimensional electron gas

We examine the interaction of particles with a one-dimensional electron gas by employing the quantum hydrodynamic (QHD) theory, where the nonlinear wake potential and stopping power have been numerically calculated by solving the nonlinear QHD equations with flux corrected transport (FCT) numerical method. In our calculation, the nonlinear effects on the wake potential and stopping power are clearly observed and presented. In the moving coordinate, comparisons are made between the nonlinear and linear wake potentials, in which the maximum values are larger and more oscillations appear behind the projectile in a nonlinear case in contrast to that in a linear case. The nonlinear wake potentials show a clear dependence on time, that is, the FCT algorithm solves the nonlinear QHD equations by time integration starting from the initial time. It is shown that the nonlinear effects can enhance the wake potential and stopping power for particle velocities greater than a few Bohr velocities.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Data-driven linear time advance operators for the acceleration of plasma physics simulation

In this study, we demonstrate the application of data-driven linear operator construction for time advance with a goal of accelerating plasma physics simulation. We apply dynamic mode decomposition (DMD) to data produced by the nonlinear SOLPS-ITER (Scrape-off Layer Plasma Simulator - International Thermonuclear Experimental Reactor) plasma boundary code suite in order to estimate a series of linear operators and monitor their predictive accuracy via online error analysis. We find that this approach defines when these dynamics can be represented by a sequence of approximate linear operators and is essential for providing consistent projections when compared to an unconstrained application. For linear diffusion and advection–diffusion fluid test problems, we construct and apply operators within explicit and implicit time advance schemes, demonstrating that stability can be robustly guaranteed in each case. We further investigate the use of the linear time advance operators within several integration methods including forward Euler, backward Euler, and the matrix exponential. The application of this method to simulation data from SOLPS-ITER, with varying levels of Markov chain Monte Carlo numerical noise, shows that constrained DMD operators yield a capability to identify, extract, and integrate a (slow) subset of the present timescales. Example applications show that for projected speedup factors of [Formula: see text], and [Formula: see text], a mean relative error of 3%, 5%, and 8% and maximum relative error less than 20% are achievable, which appears acceptable for typical SOLPS-ITER steady-state simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

TEQUILA: a platform for rapid development of quantum algorithms

Variational quantum algorithms are currently the most promising class of algorithms for deployment on near-term quantum computers. In contrast to classical algorithms, there are almost no standardized methods in quantum algorithmic development yet, and the field continues to evolve rapidly. As in classical computing, heuristics play a crucial role in the development of new quantum algorithms, resulting in a high demand for flexible and reliable ways to implement, test, and share new ideas. In this paper, inspired by this demand, we introduce TEQUILA, a development package for quantum algorithms in PYTHON, designed for fast and flexible implementation, prototyping and deployment of novel quantum algorithms in electronic structure and other fields. TEQUILA operates with abstract expectation values which can be combined, transformed, differentiated, and optimized. On evaluation, the abstract data structures are compiled to run on state of the art quantum simulators or interfaces.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗