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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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NASA NTRS1999

Is It Possible to Distinguish Between Dust and Salt Aerosol Over Waters with Unknown Chlorophyll Concentrations Using Spectral Remote Sensing?

Atmospheric aerosol has uncertain impacts on the global climate system, as well as on atmospheric and bio-geo-chemical processes of regional and local scales. EOS-MODIS is one example of a satellite sensor designed to improve understanding of the aerosols' type, size and distribution at all temporal and spatial scales. Ocean scientists also plan to use data from EOS-MODIS to assess the temporal and spatial coverage of in-water chlorophyll. MODIS is the first sensor planned to observe the combined ocean-atmosphere system with a wide spectral range (from 410 to 2200 nm). Dust aerosol and salt aerosol have similar spectral signals for wavelengths longer than 550 nm, but because dust selectively absorbs blue light, they have divergent signals in the blue wavelength regions (412 to 490 nm). Chlorophyll also selectively absorbs blue radiation, so that varying chlorophyll concentrations produces a highly varying signal in the blue regions, but less variability in the green, and almost no signal in the red to mid-infrared regions. Thus, theoretically, it may be difficult to differentiate dust and salt in the presence of unknown chlorophyll in the ocean. This study attempts to address the cases in which aerosol and chlorophyll signals can and cannot be separated. For the aerosol spectra, we use the aerosol lookup table from the operational MODIS aerosol-over-ocean algorithm, and for chlorophyll spectra, we use the SeaBAM data set (created for SeaWiFS). We compare the signals using Principal Component Analysis and attempt to retrieve both chlorophyll and aerosol properties using a variant of the operational MODIS aerosol-over-ocean algorithm. Results show that for small optical depths, less than 0.5, it is not possible to differentiate between dust and salt and to determine the chlorophyll concentration at the same time. For larger aerosol optical depths, the chlorophyll signals are comparatively insignificant, and we can hope to distinguish between dust and salt.

Levy, R. C.↗

NASA NTRS1990

Constraint treatment techniques and parallel algorithms for multibody dynamic analysis

Computational procedures for kinematic and dynamic analysis of three-dimensional multibody dynamic (MBD) systems are developed from the differential-algebraic equations (DAE's) viewpoint. Constraint violations during the time integration process are minimized and penalty constraint stabilization techniques and partitioning schemes are developed. The governing equations of motion, a two-stage staggered explicit-implicit numerical algorithm, are treated which takes advantage of a partitioned solution procedure. A robust and parallelizable integration algorithm is developed. This algorithm uses a two-stage staggered central difference algorithm to integrate the translational coordinates and the angular velocities. The angular orientations of bodies in MBD systems are then obtained by using an implicit algorithm via the kinematic relationship between Euler parameters and angular velocities. It is shown that the combination of the present solution procedures yields a computationally more accurate solution. To speed up the computational procedures, parallel implementation of the present constraint treatment techniques, the two-stage staggered explicit-implicit numerical algorithm was efficiently carried out. The DAE's and the constraint treatment techniques were transformed into arrowhead matrices to which Schur complement form was derived. By fully exploiting the sparse matrix structural analysis techniques, a parallel preconditioned conjugate gradient numerical algorithm is used to solve the systems equations written in Schur complement form. A software testbed was designed and implemented in both sequential and parallel computers. This testbed was used to demonstrate the robustness and efficiency of the constraint treatment techniques, the accuracy of the two-stage staggered explicit-implicit numerical algorithm, and the speed up of the Schur-complement-based parallel preconditioned conjugate gradient algorithm on a parallel computer.

Chiou, Jin-Chern↗

NASA NTRS1986

Fast algorithm for calculating chemical kinetics in turbulent reacting flow

This paper addresses the need for a fast batch chemistry solver to perform the kinetics part of a split operator formulation of turbulent reacting flows, with special attention focused on the solution of the ordinary differential equations governing a homogeneous gas-phase chemical reaction. For this purpose, a two-part predictor-corrector algorithm which incorporates an exponentially fitted trapezoidal method was developed. The algorithm performs filtering of ill-posed initial conditions, automatic step-size selection, and automatic selection of Jacobi-Newton or Newton-Raphson iteration for convergence to achieve maximum computational efficiency while observing a prescribed error tolerance. The new algorithm, termed CREK1D (combustion reaction kinetics, one-dimensional), compared favorably with the code LSODE when tested on two representative problems drawn from combustion kinetics, and is faster than LSODE.

Radhakrishnan, K.↗

DOE OSTI2024

Metric Learning to Accelerate Convergence of Operator Splitting Methods

Recent developments in machine learning have led to promising advances in accelerating the solution of constrained optimization problems. Increasing demand for real-time decision-making capabilities in applications such as artificial intelligence and optimal control has led to a variety of proposed strategies for learning to produce fast solutions to optimization problems. For example, recent works have shown that it is possible to accelerate the convergence of optimization algorithms by learning to select their parameters, such as gradient descent stepsizes. This work proposes a new approach, in which the underlying metric spaces of proximal operator splitting algorithms are learned to maximize convergence rate. While prior works in optimization theory have derived optimal metrics in simple cases, no such result exists for many practical problem forms including general Quadratic Programming (QP). This paper shows how differentiable optimization can enable the end-to-end learning of proximal metrics, enhancing the convergence of proximal algorithms for QP problems beyond what is possible based on known theory. Additionally, the results illustrate a strong connection between the learned proximal metrics and active constraints at the optima, leading to an interpretation in which the predicted proximal metrics can be viewed as a form of active set prediction.

King, Ethan [BATTELLE (PACIFIC NW LAB)]↗

NASA NTRS1974

A finite element solution algorithm for the Navier-Stokes equations

A finite element solution algorithm is established for the two-dimensional Navier-Stokes equations governing the steady-state kinematics and thermodynamics of a variable viscosity, compressible multiple-species fluid. For an incompressible fluid, the motion may be transient as well. The primitive dependent variables are replaced by a vorticity-streamfunction description valid in domains spanned by rectangular, cylindrical and spherical coordinate systems. Use of derived variables provides a uniformly elliptic partial differential equation description for the Navier-Stokes system, and for which the finite element algorithm is established. Explicit non-linearity is accepted by the theory, since no psuedo-variational principles are employed, and there is no requirement for either computational mesh or solution domain closure regularity. Boundary condition constraints on the normal flux and tangential distribution of all computational variables, as well as velocity, are routinely piecewise enforceable on domain closure segments arbitrarily oriented with respect to a global reference frame.

Baker, A. J.↗

NASA NTRS1979

Solution of 3-dimensional time-dependent viscous flows. Part 1: Investigation of candidate algoriths

There is considerable interest in developing a numerical scheme for solving the time dependent viscous compressible three dimensional flow to aid in the design of helicopter rotors. Numerical algorithms are examined to determine their overall suitability for the efficient and routine solution of an appropriate system of partial differential equations. It is concluded that a consistently split time linearized block implicit scheme using either quintic B spline collocation or the generalized operator compact implicit approach to generate a fourth order accurate algorithm is particularly well suited for use on the present problem. High cell Reynolds number behavior leads to favoring the generalized operator compact implicit approach over the quintic B spline collocation method.

Weinberg, B. C.↗

NASA NTRS1997

Vector Observation-Aided/Attitude-Rate Estimation Using Global Positioning System Signals

A sequential filtering algorithm is presented for attitude and attitude-rate estimation from Global Positioning System (GPS) differential carrier phase measurements. A third-order, minimal-parameter method for solving the attitude matrix kinematic equation is used to parameterize the filter's state, which renders the resulting estimator computationally efficient. Borrowing from tracking theory concepts, the angular acceleration is modeled as an exponentially autocorrelated stochastic process, thus avoiding the use of the uncertain spacecraft dynamic model. The new formulation facilitates the use of aiding vector observations in a unified filtering algorithm, which can enhance the method's robustness and accuracy. Numerical examples are used to demonstrate the performance of the method.

Oshman, Yaakov↗

NASA NTRS2013

NASA Tech Briefs, March 2013

Topics covered include: Remote Data Access with IDL Data Compression Algorithm Architecture for Large Depth-of-Field Particle Image Velocimeters Vectorized Rebinning Algorithm for Fast Data Down-Sampling Display Provides Pilots with Real-Time Sonic-Boom Information Onboard Algorithms for Data Prioritization and Summarization of Aerial Imagery Monitoring and Acquisition Real-time System (MARS) Analog Signal Correlating Using an Analog-Based Signal Conditioning Front End Micro-Textured Black Silicon Wick for Silicon Heat Pipe Array Robust Multivariable Optimization and Performance Simulation for ASIC Design; Castable Amorphous Metal Mirrors and Mirror Assemblies; Sandwich Core Heat-Pipe Radiator for Power and Propulsion Systems; Apparatus for Pumping a Fluid; Cobra Fiber-Optic Positioner Upgrade; Improved Wide Operating Temperature Range of Li-Ion Cells; Non-Toxic, Non-Flammable, -80 C Phase Change Materials; Soft-Bake Purification of SWCNTs Produced by Pulsed Laser Vaporization; Improved Cell Culture Method for Growing Contracting Skeletal Muscle Models; Hand-Based Biometric Analysis; The Next Generation of Cold Immersion Dry Suit Design Evolution for Hypothermia Prevention; Integrated Lunar Information Architecture for Decision Support Version 3.0 (ILIADS 3.0); Relay Forward-Link File Management Services (MaROS Phase 2); Two Mechanisms to Avoid Control Conflicts Resulting from Uncoordinated Intent; XTCE GOVSAT Tool Suite 1.0; Determining Temperature Differential to Prevent Hardware Cross-Contamination in a Vacuum Chamber; SequenceL: Automated Parallel Algorithms Derived from CSP-NT Computational Laws; Remote Data Exploration with the Interactive Data Language (IDL); Mixture-Tuned, Clutter Matched Filter for Remote Detection of Subpixel Spectral Signals; Partitioned-Interval Quantum Optical Communications Receiver; and Practical UAV Optical Sensor Bench with Minimal Adjustability.

Source record↗

DOE OSTI2022

A phase transition for finding needles in nonlinear haystacks with LASSO artificial neural networks

To fit sparse linear associations, a LASSO sparsity inducing penalty with a single hyperparameter provably allows to recover the important features (needles) with high probability in certain regimes even if the sample size is smaller than the dimension of the input vector (haystack). More recently learners known as artificial neural networks (ANN) have shown great successes in many machine learning tasks, in particular fitting nonlinear associations. Small learning rate, stochastic gradient descent algorithm and large training set help to cope with the explosion in the number of parameters present in deep neural networks. Yet few ANN learners have been developed and studied to find needles in nonlinear haystacks. Driven by a single hyperparameter, our ANN learner, like for sparse linear associations, exhibits a phase transition in the probability of retrieving the needles, which we do not observe with other ANN learners. To select our penalty parameter, we generalize the universal threshold of Donoho and Johnstone (Biometrika 81(3):425–455, 1994) which is a better rule than the conservative (too many false detections) and expensive cross-validation. In the spirit of simulated annealing, we propose a warm-start sparsity inducing algorithm to solve the high-dimensional, non-convex and non-differentiable optimization problem. We perform simulated and real data Monte Carlo experiments to quantify the effectiveness of our approach.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Single-stage gradient-based stellarator coil design: Optimization for near-axis quasi-symmetry

Here we present a new coil design paradigm for magnetic confinement in stellarators. Our approach directly optimizes coil shapes and coil currents to produce a vacuum quasi-symmetric magnetic field with a target rotational transform on the magnetic axis. This approach differs from the traditional two-stage approach in which first a magnetic configuration with desirable physics properties is found, and then coils to approximately realize this magnetic configuration are designed. The proposed single-stage approach allows us to find a compromise between confinement and engineering requirements, i.e., find easy-to-build coils with good confinement properties. Using forward and adjoint sensitivities, we derive derivatives of the physical quantities in the objective, which is constrained by a nonlinear periodic differential equation. In two numerical examples, we compare different gradient-based descent algorithms and find that incorporating approximate second-order derivative information through a quasi-Newton method is crucial for convergence. We also explore the optimization landscape in the neighborhood of a minimizer and find many directions in which the objective is mostly flat, indicating ample freedom to find simple and thus easy-to-build coils.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Regularized inversion of aerosol hygroscopic growth factor probability density function: application to humidity-controlled fast integrated mobility spectrometer measurements

Abstract. Aerosol hygroscopic growth plays an important role in atmospheric particle chemistry and the effects of aerosol on radiation and hence climate. The hygroscopic growth is often characterized by a growth factor probability density function (GF-PDF), where the growth factor is defined as the ratio of the particle size at a specified relative humidity to its dry size. Parametric, least-squares methods are the most widely used algorithms for inverting the GF-PDF from measurements of the humidified tandem differential mobility analyzer (HTDMA) and have been recently applied to the GF-PDF inversion from measurements of the humidity-controlled fast integrated mobility spectrometer (HFIMS). However, these least-squares methods suffer from noise amplification due to the lack of regularization in solving the ill-posed problem, resulting in significant fluctuations in the retrieved GF-PDF and even occasional failures of convergence. In this study, we introduce nonparametric, regularized methods to invert the aerosol GF-PDF and apply them to HFIMS measurements. Based on the HFIMS kernel function, the forward convolution is transformed into a matrix-based form, which facilitates the application of the nonparametric inversion methods with regularizations, including Tikhonov regularization and Twomey's iterative regularization. Inversions of the GF-PDF using the nonparameteric methods with regularization are demonstrated using HFIMS measurements simulated from representative GF-PDFs of ambient aerosols. The characteristics of reconstructed GF-PDFs resulting from different inversion methods, including previously developed least-squares methods, are quantitatively compared. The result shows that Twomey's method generally outperforms other inversion methods. The capabilities of Twomey's method in reconstructing the pre-defined GF-PDFs and recovering the mode parameters are validated.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1974

Changing stepsize in the integration of differential equations using modified divided differences

Multistep methods for solving differential equations based on numerical integration formulas or numerical differentiation formulas (for stiff equations) require special provision for changing the stepsize. New algorithms are given which make the use of modified divided differences an attractive way to carry out the change in stepsize for such methods. Error estimation and some of the important factors in stepsize selection and the selection of integration order are also considered.

Krogh, F. T.↗

NASA NTRS1986

Physical and numerical sources of computational inefficiency in integration of chemical kinetic rate equations: Etiology, treatment and prognosis

The design of a very fast, automatic black-box code for homogeneous, gas-phase chemical kinetics problems requires an understanding of the physical and numerical sources of computational inefficiency. Some major sources reviewed in this report are stiffness of the governing ordinary differential equations (ODE's) and its detection, choice of appropriate method (i.e., integration algorithm plus step-size control strategy), nonphysical initial conditions, and too frequent evaluation of thermochemical and kinetic properties. Specific techniques are recommended (and some advised against) for improving or overcoming the identified problem areas. It is argued that, because reactive species increase exponentially with time during induction, and all species exhibit asymptotic, exponential decay with time during equilibration, exponential-fitted integration algorithms are inherently more accurate for kinetics modeling than classical, polynomial-interpolant methods for the same computational work. But current codes using the exponential-fitted method lack the sophisticated stepsize-control logic of existing black-box ODE solver codes, such as EPISODE and LSODE. The ultimate chemical kinetics code does not exist yet, but the general characteristics of such a code are becoming apparent.

Pratt, D. T.↗

NASA NTRS1987

Optimal cure cycle design of a resin-fiber composite laminate

A unified computed aided design method was studied for the cure cycle design that incorporates an optimal design technique with the analytical model of a composite cure process. The preliminary results of using this proposed method for optimal cure cycle design are reported and discussed. The cure process of interest is the compression molding of a polyester which is described by a diffusion reaction system. The finite element method is employed to convert the initial boundary value problem into a set of first order differential equations which are solved simultaneously by the DE program. The equations for thermal design sensitivities are derived by using the direct differentiation method and are solved by the DE program. A recursive quadratic programming algorithm with an active set strategy called a linearization method is used to optimally design the cure cycle, subjected to the given design performance requirements. The difficulty of casting the cure cycle design process into a proper mathematical form is recognized. Various optimal design problems are formulated to address theses aspects. The optimal solutions of these formulations are compared and discussed.

Hou, Jean W.↗

NASA NTRS1986

Numerical prediction of cold turbulent flow in combustor configurations with different centerbody flame holders

A numerical study of cold turbulent flow in a combustor containing a centerbody flame holder is presented. The axisymmetric Navier-Stokes equations incorporating a k-epsilon turbulence model were solved in a nonorthogonal curvilinear coordinate system. The finite volume method, applied to a staggered grid system, was used to discretize the differential equations. These finite differenced equations were then solved iteratively utilizing the SIMPLE algorithm described by Patankar (1980). Solutions were obtained for two combustor duct geometries with various centerbody flame holders which included a disk, a cone, and a sphere. The extent of mixing due to these bodies was evaluated. A comparison with previously obtained experimental data yielded moderately good agreement.

Yung, C. N.↗

NASA NTRS1991

Video data compression using artificial neural network differential vector quantization

An artificial neural network vector quantizer is developed for use in data compression applications such as Digital Video. Differential Vector Quantization is used to preserve edge features, and a new adaptive algorithm, known as Frequency-Sensitive Competitive Learning, is used to develop the vector quantizer codebook. To develop real time performance, a custom Very Large Scale Integration Application Specific Integrated Circuit (VLSI ASIC) is being developed to realize the associative memory functions needed in the vector quantization algorithm. By using vector quantization, the need for Huffman coding can be eliminated, resulting in superior performance against channel bit errors than methods that use variable length codes.

Krishnamurthy, Ashok K.↗

NASA NTRS1996

Numerical Algorithms Based on Biorthogonal Wavelets

Wavelet bases are used to generate spaces of approximation for the resolution of bidimensional elliptic and parabolic problems. Under some specific hypotheses relating the properties of the wavelets to the order of the involved operators, it is shown that an approximate solution can be built. This approximation is then stable and converges towards the exact solution. It is designed such that fast algorithms involving biorthogonal multi resolution analyses can be used to resolve the corresponding numerical problems. Detailed algorithms are provided as well as the results of numerical tests on partial differential equations defined on the bidimensional torus.

Ponenti, Pj.↗

NASA NTRS1996

Numerical Algorithms Based on Biorthogonal Wavelets

Ponenti, Pj.↗