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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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At least 1,459 records · Page 81
All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

TIGER: A graphically interactive grid system for turbomachinery applications

Numerical grid generation algorithm associated with the flow field about turbomachinery geometries is presented. Graphical user interface is developed with FORMS Library to create an interactive, user-friendly working environment. This customized algorithm reduces the man-hours required to generate a grid associated with turbomachinery geometry, as compared to the use of general-purpose grid generation softwares. Bezier curves are utilized both interactively and automatically to accomplish grid line smoothness and orthogonality. Graphical User Interactions are provided in the algorithm, allowing the user to design and manipulate the grid lines with a mouse.

Shih, Ming-Hsin↗
DOE OSTI2021

FTK: A Simplicial Spacetime Meshing Framework for Robust and Scalable Feature Tracking

In this work, we present the Feature Tracking Kit (FTK), a framework that simplifies, scales, and delivers various feature-tracking algorithms for scientific data. The key of FTK is our simplicial spacetime meshing scheme that generalizes both regular and unstructured spatial meshes to spacetime while tessellating spacetime mesh elements into simplices. The benefits of using simplicial spacetime meshes include (1) reducing ambiguity cases for feature extraction and tracking, (2) simplifying the handling of degeneracies using symbolic perturbations, and (3) enabling scalable and parallel processing. The use of simplicial spacetime meshing simplifies and improves the implementation of several feature-tracking algorithms for critical points, quantum vortices, and isosurfaces. As a software framework, FTK provides end users with VTK/ParaView filters, Python bindings, a command line interface, and programming interfaces for feature-tracking applications. We demonstrate use cases as well as scalability studies through both synthetic data and scientific applications including tokamak, fluid dynamics, and superconductivity simulations. We also conduct end-to-end performance studies on the Summit supercomputer. FTK is open sourced under the MIT license: https://github.com/hguo/ftk.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Numerical gate synthesis for quantum heuristics on bosonic quantum processors

There is a recent surge of interest and insights regarding the interplay of quantum optimal control and variational quantum algorithms. We study the framework in the context of qudits which are, for instance, definable as controllable electromagnetic modes of a superconducting cavity system coupled to a transmon. By employing recent quantum optimal control approaches described in (Petersson and Garcia, 2021), we showcase control of single-qudit operations up to eight states, and two-qutrit operations, mapped respectively onto a single mode and two modes of the resonator. We discuss the results of numerical pulse engineering on the closed system for parametrized gates useful to implement Quantum Approximate Optimization Algorithm (QAOA) for qudits. The results show that high fidelity ( > 0.99) is achievable with sufficient computational effort for most cases under study, and extensions to multiple modes and open, noisy systems are possible. The tailored pulses can be stored and used as calibrated primitives for a future compiler in circuit quantum electrodynamics (cQED) systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

ECNet is an evolutionary context-integrated deep learning framework for protein engineering

Abstract Machine learning has been increasingly used for protein engineering. However, because the general sequence contexts they capture are not specific to the protein being engineered, the accuracy of existing machine learning algorithms is rather limited. Here, we report ECNet (evolutionary context-integrated neural network), a deep-learning algorithm that exploits evolutionary contexts to predict functional fitness for protein engineering. This algorithm integrates local evolutionary context from homologous sequences that explicitly model residue-residue epistasis for the protein of interest with the global evolutionary context that encodes rich semantic and structural features from the enormous protein sequence universe. As such, it enables accurate mapping from sequence to function and provides generalization from low-order mutants to higher-order mutants. We show that ECNet predicts the sequence-function relationship more accurately as compared to existing machine learning algorithms by using ~50 deep mutational scanning and random mutagenesis datasets. Moreover, we used ECNet to guide the engineering of TEM-1 β-lactamase and identified variants with improved ampicillin resistance with high success rates.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Qubit-efficient entanglement spectroscopy using qubit resets

One strategy to fit larger problems on NISQ devices is to exploit a tradeoff between circuit width and circuit depth. Unfortunately, this tradeoff still limits the size of tractable problems since the increased depth is often not realizable before noise dominates. Here, we develop qubit-efficient quantum algorithms for entanglement spectroscopy which avoid this tradeoff. In particular, we develop algorithms for computing the trace of the n -th power of the density operator of a quantum system, T r ( ρ n ) , (related to the Rényi entropy of order n ) that use fewer qubits than any previous efficient algorithm while achieving similar performance in the presence of noise, thus enabling spectroscopy of larger quantum systems on NISQ devices. Our algorithms, which require a number of qubits independent of n , are variants of previous algorithms with width proportional to n , an asymptotic difference. The crucial ingredient in these new algorithms is the ability to measure and reinitialize subsets of qubits in the course of the computation, allowing us to reuse qubits and increase the circuit depth without suffering the usual noisy consequences. We also introduce the notion of effective circuit depth as a generalization of standard circuit depth suitable for circuits with qubit resets. This tool helps explain the noise-resilience of our qubit-efficient algorithms and should aid in designing future algorithms. We perform numerical simulations to compare our algorithms to the original variants and show they perform similarly when subjected to noise. Additionally, we experimentally implement one of our qubit-efficient algorithms on the Honeywell System Model H0, estimating T r ( ρ n ) for larger n than possible with previous algorithms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Machine Learning-Based Classification of Lignocellulosic Biomass from Pyrolysis-Molecular Beam Mass Spectrometry Data

High-throughput analysis of biomass is necessary to ensure consistent and uniform feedstocks for agricultural and bioenergy applications and is needed to inform genomics and systems biology models. Pyrolysis followed by mass spectrometry such as molecular beam mass spectrometry (py-MBMS) analyses are becoming increasingly popular for the rapid analysis of biomass cell wall composition and typically require the use of different data analysis tools depending on the need and application. Here, the authors report the py-MBMS analysis of several types of lignocellulosic biomass to gain an understanding of spectral patterns and variation with associated biomass composition and use machine learning approaches to classify, differentiate, and predict biomass types on the basis of py-MBMS spectra. Py-MBMS spectra were also corrected for instrumental variance using generalized linear modeling (GLM) based on the use of select ions relative abundances as spike-in controls. Machine learning classification algorithms e.g., random forest, k-nearest neighbor, decision tree, Gaussian Naïve Bayes, gradient boosting, and multilayer perceptron classifiers were used. The k-nearest neighbors (k-NN) classifier generally performed the best for classifications using raw spectral data, and the decision tree classifier performed the worst. After normalization of spectra to account for instrumental variance, all the classifiers had comparable and generally acceptable performance for predicting the biomass types, although the k-NN and decision tree classifiers were not as accurate for prediction of specific sample types. Gaussian Naïve Bayes (GNB) and extreme gradient boosting (XGB) classifiers performed better than the k-NN and the decision tree classifiers for the prediction of biomass mixtures. The data analysis workflow reported here could be applied and extended for comparison of biomass samples of varying types, species, phenotypes, and/or genotypes or subjected to different treatments, environments, etc. to further elucidate the sources of spectral variance, patterns, and to infer compositional information based on spectral analysis, particularly for analysis of data without a priori knowledge of the feedstock composition or identity.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1990

Modeling pilot interaction with automated digital avionics systems: Guidance and control algorithms for contour and nap-of-the-Earth flight

A collection of technical papers are presented that cover modeling pilot interaction with automated digital avionics systems and guidance and control algorithms for contour and nap-of-the-earth flight. The titles of the papers presented are as follows: (1) Automation effects in a multiloop manual control system; (2) A qualitative model of human interaction with complex dynamic systems; (3) Generalized predictive control of dynamic systems; (4) An application of generalized predictive control to rotorcraft terrain-following flight; (5) Self-tuning generalized predictive control applied to terrain-following flight; and (6) Precise flight path control using a predictive algorithm.

Hess, Ronald A.↗
DOE OSTI2025

Quantum Algorithm for Linear Non-unitary Dynamics with Near-Optimal Dependence on All Parameters

We introduce a family of identities that express general linear non-unitary evolution operators as a linear combination of unitary evolution operators, each solving a Hamiltonian simulation problem. This formulation can exponentially enhance the accuracy of the recently introduced linear combination of Hamiltonian simulation (LCHS) method [An, Liu, and Lin, Physical Review Letters, 2023]. For the first time, this approach enables quantum algorithms to solve linear differential equations with both optimal state preparation cost and near-optimal scaling in matrix queries on all parameters.

Applied Dynamical Systems↗
DOE OSTI2020

Noise resilience of variational quantum compiling

Variational hybrid quantum-classical algorithms (VHQCAs) are near-term algorithms that leverage classical optimization to minimize a cost function, which is efficiently evaluated on a quantum computer. Recently VHQCAs have been proposed for quantum compiling, where a target unitary U is compiled into a short-depth gate sequence V. In this work, we report on a surprising form of noise resilience for these algorithms. Namely, we find one often learns the correct gate sequence V (i.e. the correct variational parameters) despite various sources of incoherent noise acting during the cost-evaluation circuit. Our main results are rigorous theorems stating that the optimal variational parameters are unaffected by a broad class of noise models, such as measurement noise, gate noise, and Pauli channel noise. Furthermore, our numerical implementations on IBM's noisy simulator demonstrate resilience when compiling the quantum Fourier transform, Toffoli gate, and W-state preparation. Hence, variational quantum compiling, due to its robustness, could be practically useful for noisy intermediate-scale quantum devices. Finally, we speculate that this noise resilience may be a general phenomenon that applies to other VHQCAs such as the variational quantum eigensolver.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2010

Design and Implementation of the Automated Rendezvous Targeting Algorithms for Orion

The Orion vehicle will be designed to perform several rendezvous missions: rendezvous with the ISS in Low Earth Orbit (LEO), rendezvous with the EDS/Altair in LEO, a contingency rendezvous with the ascent stage of the Altair in Low Lunar Orbit (LLO) and a contingency rendezvous in LLO with the ascent and descent stage in the case of an aborted lunar landing. Therefore, it is not difficult to realize that each of these scenarios imposes different operational, timing, and performance constraints on the GNC system. To this end, a suite of on-board guidance and targeting algorithms have been designed to meet the requirement to perform the rendezvous independent of communications with the ground. This capability is particularly relevant for the lunar missions, some of which may occur on the far side of the moon. This paper will describe these algorithms which are designed to be structured and arranged in such a way so as to be flexible and able to safely perform a wide variety of rendezvous trajectories. The goal of the algorithms is not to merely fly one specific type of canned rendezvous profile. Conversely, it was designed from the start to be general enough such that any type of trajectory profile can be flown.(i.e. a coelliptic profile, a stable orbit rendezvous profile, and a expedited LLO rendezvous profile, etc) all using the same rendezvous suite of algorithms. Each of these profiles makes use of maneuver types which have been designed with dual goals of robustness and performance. They are designed to converge quickly under dispersed conditions and they are designed to perform many of the functions performed on the ground today. The targeting algorithms consist of a phasing maneuver (NC), an altitude adjust maneuver (NH), and plane change maneuver (NPC), a coelliptic maneuver (NSR), a Lambert targeted maneuver, and several multiple-burn targeted maneuvers which combine one of more of these algorithms. The derivation and implementation of each of these algorithms will be discussed in detail, as well and the Rendezvous Targeting "wrapper" which will sequentially tie them all together into a single onboard targeting tool which can produce a final integrated rendezvous trajectory. In a similar fashion, the various guidance modes available for flying out each of these maneuvers will be discussed as well. This paradigm of having the onboard guidance & targeting capability described above is different than the way the Space Shuttle has operated thus far. As a result, a discussion of these differences in terms of operations and ground and crew intervention will also be discussed. However, the general framework of how the mission designers on the ground first perform all mission design and planning functions, and then uplink that burn plan to the vehicle ensures that the ground will be involved to ensure safety and reliability. The only real difference is which of these functions will be done onboard vs. on the ground as done currently. Finally, this paper will describe the performance of each of these algorithms individually as well as the entire suite of algorithms as applied to the Orion ISS and EDS/Altair rendezvous missions in LEO. These algorithms have been incorporated in both a Linear Covariance environment and a Monte Carlo environment and the results of these dispersion analyses will be presented in the paper as well.

DSouza, Christopher↗
NASA NTRS1985

Generalized formulation of a class of explicit and implicit TVD schemes

A one parameter family of second order explicit and implicit total variation diminishing (TVD) schemes is reformulated so that a simpler and wider group of limiters is included. The resulting scheme can be viewed as a symmetrical algorithm with a variety of numerical dissipation terms that are designed for weak solutions of hyperbolic problems. This is a generalization of Roe and Davis's recent works to a wider class of symmetric schemes other than Lax-Wendroff. The main properties of the present class of schemes are that they can be implicit, and when steady state calculations are sought, the numerical solution is independent of the time step.

Yee, H. C.↗
NASA NTRS1980

Grid and metric generation on the assembly of locally bi-quadratic coordinate transformations

The generation of metric coefficients of the coordinate transformation from a generally curved-sided domain boundary to the unit square (cube) is required for efficient solution algorithms in computational fluid mechanics. An algebraic procedure is presented for establishment of these data on the union of arbitrarily selected sub-domains of the global solution domain. A uniformly smooth progression of grid refinement is readily generated, including multiple specification of refined grids for a given macro-element domain discretization. The procedure is illustrated as generally applicable to non-simply connected domains in two and three dimensions.

Baker, A. J.↗
NASA NTRSDate not supplied

1D-Convolutional Neural Network Architecture for Generalized Time-Segmentation Tasks

Time segmentation of experimental data is a common and often difficult task. Consequently, it is of interest to automate this type of segmentation to reduce manual inputs, which are labor intensive and less consistent. However, simple thresholding algorithms are often insufficiently robust due either to noise or inconsistent data. This paper proposes a simple 1D CNN architecture as a generalized solution for typical time segmentation tasks. The layer architecture, training methods, and methods for simple customization are described as well as the results of application to three separate arc jet data streams: facility condition segmentation, video highlight segmentation, and calorimeter time-series segmentation.

Machine learning↗
NASA NTRSDate not supplied

1d-Convolutional Neural Network Architecture for Generalized Time-Segmentation Tasks

Time segmentation of experimental data is a common and often difficult task. Consequently, it is of interest to automate this type of segmentation to reduce manual inputs, which are labor intensive and less consistent. However, simple thresholding algorithms are often insufficiently robust due either to noise or inconsistent data. This paper proposes a simple 1D CNN architecture as a generalized solution for typical time segmentation tasks. The layer architecture, training methods, and methods for simple customization are described as well as the results of application to three separate arc jet data streams: facility condition segmentation, video highlight segmentation, and calorimeter time-series segmentation.

Machine learning↗
NASA NTRS2019

Using Graph Coloring to Compute Total Derivatives More Efficiently in OpenMDAO

When they are applicable, gradient based optimization algorithms are the most efficient way to solve design optimization problems. Although gradient based methods are generally efficient, they can be made significantly more so through the usage of analytic techniques to compute the necessary total derivatives. The traditional forward (direct) and reverse (adjoint) analytic techniques have computational costs that scale linearly with the number of design variables and the number of constraints, respectively. In this work, we present an application of a graph coloring algorithm to the analytic techniques for computing total derivative Jacobians in order to achieve much better computational scaling than the pure analytic methods can provide alone. A detailed theoretical explanation of how coloring algorithms interact with analytic derivative methods is presented that illustrates specific types of sparsity patterns that must be present in total derivative Jacobians in order for this coloring technique to be effective. The new technique has been implemented as a feature in the OpenMDAO framework and the implementation is demonstrated on two example problems. The performance on the example problems up to 50% reduction in compute cost for optimizations with bi-directional coloring compared to traditional constraint aggregation. Additionally, the results show how coloring technique alleviates some of the numerical difficulties that constraint aggregation can cause, leading to the ability to solve larger problems. It is expected that the new method will have wide applicability to multidisciplinary optimization problems, and that its availability in OpenMDAO will offer significant computational savings for users without the need for them to implement the coloring algorithm themselves.

Trajectory↗
NASA NTRS1983

Constrained Self-adaptive Solutions Procedures for Structure Subject to High Temperature Elastic-plastic Creep Effects

This paper will develop a new solution strategy which can handle elastic-plastic-creep problems in an inherently stable manner. This is achieved by introducing a new constrained time stepping algorithm which will enable the solution of creep initiated pre/postbuckling behavior where indefinite tangent stiffnesses are encountered. Due to the generality of the scheme, both monotone and cyclic loading histories can be handled. The presentation will give a thorough overview of current solution schemes and their short comings, the development of constrained time stepping algorithms as well as illustrate the results of several numerical experiments which benchmark the new procedure.

Padovan, J.↗
NASA NTRS1987

Extrapolation methods for vector sequences

This paper derives, describes, and compares five extrapolation methods for accelerating convergence of vector sequences or transforming divergent vector sequences to convergent ones. These methods are the scalar epsilon algorithm (SEA), vector epsilon algorithm (VEA), topological epsilon algorithm (TEA), minimal polynomial extrapolation (MPE), and reduced rank extrapolation (RRE). MPE and RRE are first derived and proven to give the exact solution for the right 'essential degree' k. Then, Brezinski's (1975) generalization of the Shanks-Schmidt transform is presented; the generalized form leads from systems of equations to TEA. The necessary connections are then made with SEA and VEA. The algorithms are extended to the nonlinear case by cycling, the error analysis for MPE and VEA is sketched, and the theoretical support for quadratic convergence is discussed. Strategies for practical implementation of the methods are considered.

Smith, David A.↗