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At least 199 records · Page 11

All sources NASA NTRS DOE OSTI

DOE OSTI2021

Improving the accuracy and efficiency of quantum connected moments expansions

The still-maturing noisy intermediate-scale quantum technology faces strict limitations on the algorithms that can be implemented efficiently. In the realm of quantum chemistry, the variational quantum eigensolver (VQE) algorithm has become ubiquitous, with many variations. Alternatively, a promising new avenue has been unraveled by the quantum variants of techniques grounded on expansions of the moments of the Hamiltonian, notably the connected moments expansion (CMX) and the Peeters–Devreese–Soldatov (PDS) energy functional. Common to those approaches is that, upon preparing an approximate ground state used to compute the necessary moments, the accuracy of the estimated ground state energy depends on the degree of overlap between the prepared state and the true ground state. Thus, we use the ADAPT-VQE algorithm to test shallow circuit construction strategies for the purpose of increasing the overlap with the exact ground state, validated by the sizable accuracy improvement herein reported in the PDS and CMX ground state energies. We also show that we can take advantage of the fact that the terms to be measured are highly recurring in different moments, incurring a substantial reduction in the number of necessary measurements. Finally, by coupling this measurement caching with a threshold that determines whether a given term is to be measured based on its associated scalar coefficient, we observe a further reduction in the number of circuit implementations while allowing for tunable accuracy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1993

Variational Trajectory Optimization Tool Set: Technical description and user's manual

The algorithms that comprise the Variational Trajectory Optimization Tool Set (VTOTS) package are briefly described. The VTOTS is a software package for solving nonlinear constrained optimal control problems from a wide range of engineering and scientific disciplines. The VTOTS package was specifically designed to minimize the amount of user programming; in fact, for problems that may be expressed in terms of analytical functions, the user needs only to define the problem in terms of symbolic variables. This version of the VTOTS does not support tabular data; thus, problems must be expressed in terms of analytical functions. The VTOTS package consists of two methods for solving nonlinear optimal control problems: a time-domain finite-element algorithm and a multiple shooting algorithm. These two algorithms, under the VTOTS package, may be run independently or jointly. The finite-element algorithm generates approximate solutions, whereas the shooting algorithm provides a more accurate solution to the optimization problem. A user's manual, some examples with results, and a brief description of the individual subroutines are included.

Bless, Robert R.↗

DOE OSTI2022

Quantum algorithm for electronic band structures with local tight-binding orbitals

While the main thrust of quantum computing research in materials science is to accurately measure the classically intractable electron correlation effects due to Coulomb repulsion, designing optimal quantum algorithms for simpler problems with well-understood solutions is a useful tactic to advance our quantum “toolbox”. With this in mind, we consider the quantum calculation of a periodic system’s single-electron band structure over a path through reciprocal space. Previous efforts have used the Variational Quantum Eigensolver algorithm to solve the energy of each band, which involves numerically optimizing the parameters of a variational quantum circuit to minimize a cost function, constructed as the expectation value of a Hamiltonian operator. Traditionally, a unique Hamiltonian operator is constructed for each k-point, so that many cost functions, each with their own parameter space, must be optimized to generate a single band. Similarly, calculating higher bands than the first has traditionally involved modifying the cost function with additional overlap terms to ensure higher-energy eigenstates are orthogonal to those of lower bands. In this paper, we adopt a direct space approach, using a novel hybrid first/second-quantized qubit mapping which allows us to construct a single Hamiltonian, and a single cost-function, suitable for solving the entire electronic band structure. In contrast to previous approaches, the k-point and the band index are selected by additional parameters in our quantum circuit, rather than through modifications to the cost function. The result is a technically and conceptually simpler approach to band structure calculations on a quantum computer. Moreover, we expect that the tools developed herein will motivate new strategies for tackling highly-correlated materials beyond the grasp of classical computing.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1973

The calculation of efficient high precision orbits by optimum matching of the formulation and numerical integrator

The development of improved computer algorithms is considered for calculating earth satellite orbital trajectories by optimum selection of the analytical method that minimizes the number of perturbative acceleration computations for a given accuracy. A variation of parameter algorithm considering the equation of motion for a satellite proved superior for the geosynchronous orbit.

Velez, C. E.↗

NASA NTRS1992

Possibility expectation and its decision making algorithm

The fuzzy integral has been shown to be an effective tool for the aggregation of evidence in decision making. Of primary importance in the development of a fuzzy integral pattern recognition algorithm is the choice (construction) of the measure which embodies the importance of subsets of sources of evidence. Sugeno fuzzy measures have received the most attention due to the recursive nature of the fabrication of the measure on nested sequences of subsets. Possibility measures exhibit an even simpler generation capability, but usually require that one of the sources of information possess complete credibility. In real applications, such normalization may not be possible, or even desirable. In this report, both the theory and a decision making algorithm for a variation of the fuzzy integral are presented. This integral is based on a possibility measure where it is not required that the measure of the universe be unity. A training algorithm for the possibility densities in a pattern recognition application is also presented with the results demonstrated on the shuttle-earth-space training and testing images.

Keller, James M.↗

NASA NTRS2014

Adaptive Augmenting Control Flight Characterization Experiment on an F/A-18

The NASA Marshall Space Flight Center (MSFC) Flight Mechanics and Analysis Division developed an Adaptive Augmenting Control (AAC) algorithm for launch vehicles that improves robustness and performance by adapting an otherwise welltuned classical control algorithm to unexpected environments or variations in vehicle dynamics. This AAC algorithm is currently part of the baseline design for the SLS Flight Control System (FCS), but prior to this series of research flights it was the only component of the autopilot design that had not been flight tested. The Space Launch System (SLS) flight software prototype, including the adaptive component, was recently tested on a piloted aircraft at Dryden Flight Research Center (DFRC) which has the capability to achieve a high level of dynamic similarity to a launch vehicle. Scenarios for the flight test campaign were designed specifically to evaluate the AAC algorithm to ensure that it is able to achieve the expected performance improvements with no adverse impacts in nominal or nearnominal scenarios. Having completed the recent series of flight characterization experiments on DFRC's F/A-18, the AAC algorithm's capability, robustness, and reproducibility, have been successfully demonstrated. Thus, the entire SLS control architecture has been successfully flight tested in a relevant environment. This has increased NASA's confidence that the autopilot design is ready to fly on the SLS Block I vehicle and will exceed the performance of previous architectures.

VanZwieten, Tannen S.↗

NASA NTRS2008

Signal Analysis Algorithms for Optimized Fitting of Nonresonant Laser Induced Thermal Acoustics Damped Sinusoids

This study seeks a numerical algorithm which optimizes frequency precision for the damped sinusoids generated by the nonresonant LITA technique. It compares computed frequencies, frequency errors, and fit errors obtained using five primary signal analysis methods. Using variations on different algorithms within each primary method, results from 73 fits are presented. Best results are obtained using an AutoRegressive method. Compared to previous results using Prony s method, single shot waveform frequencies are reduced approx.0.4% and frequency errors are reduced by a factor of approx.20 at 303K to approx. 0.1%. We explore the advantages of high waveform sample rates and potential for measurements in low density gases.

Balla, R. Jeffrey↗

DOE OSTI2021

Slow manifolds of classical Pauli particle enable structure-preserving geometric algorithms for guiding center dynamics

Since variational symplectic integrators for the guiding center was proposed, structure-preserving geometric algorithms have become an active research field in plasma physics. We found that the slow manifolds of the classical Pauli particle enable a family of structure-preserving geometric algorithms for guiding center dynamics with long-term stability and accuracy. This discovery overcomes the difficulty associated with the unstable parasitic modes for variational symplectic integrators when applied to the degenerate guiding center Lagrangian. It is a pleasant surprise that Pauli's Hamiltonian for electrons, which predated the Dirac equation and marks the beginning of particle physics, reappears in classical physics as an effective algorithm for solving an important plasma physics problem. This technique is applicable to other degenerate Lagrangians reduced from regular Lagrangians.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Light-Front Field Theory on Current Quantum Computers

We present a quantum algorithm for simulation of quantum field theory in the light-front formulation and demonstrate how existing quantum devices can be used to study the structure of bound states in relativistic nuclear physics. Specifically, we apply the Variational Quantum Eigensolver algorithm to find the ground state of the light-front Hamiltonian obtained within the Basis Light-Front Quantization (BLFQ) framework. The BLFQ formulation of quantum field theory allows one to readily import techniques developed for digital quantum simulation of quantum chemistry. This provides a method that can be scaled up to simulation of full, relativistic quantum field theories in the quantum advantage regime. As an illustration, we calculate the mass, mass radius, decay constant, electromagnetic form factor, and charge radius of the pion on the IBM Vigo chip. This is the first time that the light-front approach to quantum field theory has been used to enable simulation of a real physical system on a quantum computer.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2023

Survey of Time Shift Detection Algorithms for Measured PV Data

In this research, three variations of time shift detection algorithms were tested for their ability to detect time shift issues (including daylight savings time and random time shifts) in measured PV data sets. Two algorithms from the Python PVAnalytics package were assessed, and one algorithm from the Solar-Data-Tools package was assessed. Each algorithm's ability to accurately detect and measure time shifts was assessed.

automated preprocessing↗

NASA NTRS1986

Application of satellite data to the variational analysis of the three dimensional wind field

The use of a hybrid vertical velocity algorithm, composed of the kinematic and adiabatic methods of Pettersen (1956), to analyze three-dimensional wind fields is studied. The basic principles and advantages and disadvantages of the adiabatic and kinematic techniques are discussed. The adiabatic method is useful in the clear regions and above the tropopause and the kinematic method is applicable near the surface and in cloudy regions. The effects of a finite difference scheme and the objective analysis of Barnes (1973) on a wind field are investigated. The variational algorithm is evaluated by applying it to SESAME data collected in April 1979.

Chance, Barbara A.↗

DOE OSTI2020

The geometric theory of charge conservation in particle-in-cell simulations

In recent years, several gauge-symmetric particle-in-cell (PIC) methods have been developed whose simulations of particles and electromagnetic fields exactly conserve charge. While it is rightly observed that these methods’ gauge symmetry gives rise to their charge conservation, this causal relationship has generally been asserted via ad hoc derivations of the associated conservation laws. In this work, we develop a comprehensive theoretical grounding for charge conservation in gauge-symmetric Lagrangian and Hamiltonian PIC algorithms. For Lagrangian variational PIC methods, we apply Noether’s second theorem to demonstrate that gauge symmetry gives rise to a local charge conservation law as an off-shell identity. For Hamiltonian splitting methods, we show that the momentum map establishes their charge conservation laws. We define a new class of algorithms – gauge-compatible splitting methods – that exactly preserve the momentum map associated with a Hamiltonian system’s gauge symmetry – even after time discretization. This class of algorithms affords splitting schemes a decided advantage over alternative Hamiltonian integrators. We apply this general technique to design a novel, explicit, symplectic, gauge-compatible splitting PIC method, whose momentum map yields an exact local charge conservation law. Finally, our study clarifies the appropriate initial conditions for such schemes and examines their symplectic reduction.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS2012

A Comparative Study of Interval Management Control Law Capabilities

This paper presents a new tool designed to allow for rapid development and testing of different control algorithms for airborne spacing. This tool, Interval Management Modeling and Spacing Tool (IM MAST), is a fast-time, low-fidelity tool created to model the approach of aircraft to a runway, with a focus on their interactions with each other. Errors can be induced between pairs of aircraft by varying initial positions, winds, speed profiles, and altitude profiles. Results to-date show that only a few of the algorithms tested had poor behavior in the arrival and approach environment. The majority of the algorithms showed only minimal variation in performance under the test conditions. Trajectory-based algorithms showed high susceptibility to wind forecast errors, while performing marginally better than the other algorithms under other conditions. Trajectory-based algorithms have a sizable advantage, however, of being able to perform relative spacing operations between aircraft on different arrival routes and flight profiles without employing ghosting. methods. This comes at the higher cost of substantially increased complexity, however. Additionally, it was shown that earlier initiation of relative spacing operations provided more time for corrections to be made without any significant problems in the spacing operation itself. Initiating spacing farther out, however, would require more of the aircraft to begin spacing before they merge onto a common route.

Barmore, Bryan E.↗

DOE OSTI2022

Online eco-routing for electric vehicles using combinatorial multi-armed bandit with estimated covariance

Identifying energy-efficient routes in real-time has significant implications for the energy-optimal operations of electric vehicles (EVs). Here, this study proposes a novel model for EV online eco-routing problem, which obtains the minimal expected energy consumption paths (MECPs) for multiple origin-destination (OD) pairs simultaneously. Specifically, we formulate the routing problem as a bandit problem and solve it with online algorithms. We extend the algorithms by implementing a path elimination mechanism to reduce the candidate path set and introducing the variance and covariance of the energy consumption to reduce the uncertainties. The numerical results show that the proposed algorithms can efficiently obtain near-optimal MECPs, and the solution is significantly better than the widely used shortest trip time path algorithm (STTP) and shortest trip distance path algorithm (SDP). The variation considering link energy covariance and path elimination generates paths that save 4.1% of energy compared to the SDP and 5.4% to the STTP.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2020

Quantum computation of silicon electronic band structure

Development of quantum architectures during the last decade has inspired hybrid classical–quantum algorithms in physics and quantum chemistry that promise simulations of fermionic systems beyond the capability of modern classical computers, even before the era of quantum computing fully arrives. Strong research efforts have been recently made to obtain minimal depth quantum circuits which could accurately represent chemical systems. Here, we show that unprecedented methods used in quantum chemistry, designed to simulate molecules on quantum processors, can be extended to calculate properties of periodic solids. In particular, we present minimal depth circuits implementing the variational quantum eigensolver algorithm and successfully use it to compute the band structure of silicon on a quantum machine for the first time. We are convinced that the presented quantum experiments performed on cloud-based platforms will stimulate more intense studies towards scalable electronic structure computation of advanced quantum materials.

36 MATERIALS SCIENCE↗

NASA NTRS1995

Imaging spectrometer measurement of water vapor in the 400 to 2500 nm spectral region

The Airborne Visible-Infrared Imaging Spectrometer (AVIRIS) measures the total upwelling spectral radiance from 400 to 2500 nm sampled at 10 nm intervals. The instrument acquires spectral data at an altitude of 20 km above sea level, as images of 11 by up to 100 km at 17x17 meter spatial sampling. We have developed a nonlinear spectral fitting algorithm coupled with a radiative transfer code to derive the total path water vapor from the spectrum, measured for each spatial element in an AVIRIS image. The algorithm compensates for variation in the surface spectral reflectance and atmospheric aerosols. It uses water vapor absorption bands centered at 940 nm, 1040 nm, and 1380 nm. We analyze data sets with water vapor abundances ranging from 1 to 40 perceptible millimeters. In one data set, the total path water vapor varies from 7 to 21 mm over a distance of less than 10 km. We have analyzed a time series of five images acquired at 12 minute intervals; these show spatially heterogeneous changes of advocated water vapor of 25 percent over 1 hour. The algorithm determines water vapor for images with a range of ground covers, including bare rock and soil, sparse to dense vegetation, snow and ice, open water, and clouds. The precision of the water vapor determination approaches one percent. However, the precision is sensitive to the absolute abundance and the absorption strength of the atmospheric water vapor band analyzed. We have evaluated the accuracy of the algorithm by comparing several surface-based determinations of water vapor at the time of the AVIRIS data acquisition. The agreement between the AVIRIS measured water vapor and the in situ surface radiometer and surface interferometer measured water vapor is 5 to 10 percent.

Green, Robert O.↗

NASA NTRSDate not supplied

Investigating seasonal ENSO forecast amplitude calibration for GEOS-S2S-2

The GEOS-S2S-2 is a global coupled model and assimilation system, encompassing many aspects of the Earth climate system. This project looked at seasonal (nine-month) ensemble forecasts, over the period from 1982 through the present. We explored and validated a forecast amplitude correction technique used by the North American Multi-Model Ensemble (NMME), of which GEOS is a member, for Niño3.4 sea-surface temperature (SST) anomaly predictions. The method relies on deriving a set of correction factors based on the standard deviations of hindcast and observed SST anomalies. This algorithm was implemented at the Global Modeling and Assimilation Office (GMAO) and applied to the GEOS-S2S-2 Niño 3.4 hindcasts. In general, the correction reduced the forecast amplitude. This improved the quality of the forecasts when measured by the root mean square error (RMSE) of the ensemble mean forecast. RMSE decreased for most initialization months and forecast leads. The correction had a larger impact on seasons with strong El Niño-Southern Oscillation (ENSO) events than neutral seasons. The effects of the correction on the ensemble characteristics were also examined, and a variation of the algorithm was proposed that preserves the ensemble spread. The outcome of this project is a tool that can be used to calibrate GEOS-S2S-2 ENSO forecasts and potentially improve the precision of multi-model El Niño outlooks.

ENSO↗

NASA NTRS1997

On Approximate Factorization Schemes for Solving the Full Potential Equation

An approximate factorization scheme based on the AF2 algorithm is presented for solving the three-dimensional full potential equation for the transonic flow about isolated wings. Two spatial discretization variations are presented, one using a hybrid first-order/second-order-accurate scheme and the second using a fully second-order-accurate scheme. The present algorithm utilizes a C-H grid topology to map the flow field about the wing. One version of the AF2 iteration scheme is used on the upper wing surface and another slightly modified version is used on the lower surface. These two algorithm variations are then connected at the wing leading edge using a local iteration technique. The resulting scheme has improved linear stability characteristics and improved time-like damping characteristics relative to previous implementations of the AF2 algorithm. The presentation is highlighted with a grid refinement study and a number of numerical results.

Holst, Terry L.↗