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NASA NTRS1987

The abundance of interstellar CO

Data from recent observations of interstellar CO column densities are compiled in tables and graphs and compared with the predictions of theoretical models. The energy-level structure of CO and the excitation of interstellar CO are discussed; UV-absorption and IR line observations are characterized; and techniques used to estimate the CO column density from mm-wavelength observations (based on calibration of the CO line intensity with the column density of H2) are described in detail. Consideration is then given to CO chemistry under interstellar-cloud conditions (isotope fractionation and photodissociation) and models for diffuse, translucent, and dense clouds. A number of unsolved problems requiring additional observations or laboratory investigations are identified.

Van Dishoeck, Ewine F.↗

NASA NTRS1988

Quasi-steady flight to quasi-steady flight transition for abort landing in a windshear - Trajectory optimization and guidance

Trajectory optimization and trajectory-guidance problems for abort-landing maneuvers in the presence of low-altitude wind shear are investigated by means of numerical simulations, with a focus on methods designed to achieve quasi-steady flight recovery (final values of the relative velocity, path inclination, and angle of attack equal to those for quasi-steady steepest climb). The derivation of the governing equations is outlined; the modeling techniques are explained; and results for a B-727 transport aircraft approaching a sea-level airfield at temperature 100 F are presented in extensive tables and graphs and characterized in detail. The techniques developed are shown to be effective in restoring the aircraft to stable quasi-steady flight.

Miele, A.↗

NASA NTRS1999

Finite Ground Coplanar (FGC) Waveguide: Characteristics and Advantages Evaluated for Radiofrequency and Wireless Communication Circuits

Researchers in NASA Lewis Research Center s Electron Device Technology Branch are developing transmission lines for radiofrequency and wireless circuits that are more efficient, smaller, and make lower cost circuits possible. Traditionally, radiofrequency and wireless circuits have employed a microstrip or coplanar waveguide to interconnect the various electrical elements that comprise a circuit. Although a coplanar waveguide (CPW) is widely viewed as better than a microstrip for most applications, it too has problems. To solve these problems, NASA Lewis and the University of Michigan developed a new version of a coplanar waveguide with electrically narrow ground planes. Through extensive numerical modeling and experimental measurements, we have characterized the propagation constant of the FGC waveguide, the lumped and distributed circuit elements integrated in the FGC waveguide, and the coupling between parallel transmission lines. Although the attenuation per unit length is higher for the FGC waveguide because of higher conductor loss, the attenuation is comparable when the ground plane width is twice the center conductor width as shown in the following graph. An upper limit to the line width is derived from observations that when the total line width is greater than ld/2, spurious resonances due to the parallel plate waveguide mode are established. Thus, the ground plane width must be less than ld/4 where ld is the wavelength in the dielectric. Since the center conductor width S is typically less than l/10 to maintain good transverse electromagnetic mode characteristics, it follows that a ground plane width of B = 2S would also be electrically narrow. Thus, we can now treat the ground strips of the FGC waveguide the same way that the center conductor is treated.

Ponchak, George E.↗

NASA NTRS2021

Small UAV Flight Planning in Urban Environments

This work proposes a fast algorithm for generating obstacle-free and wind-efficient flight paths at a constant above-ground-level altitude in urban environments because a fast flight path planning algorithm is an essential function or service needed for enabling small unmanned aerial vehicle (sUAV) to operate in urban environments within Class G airspace. The proposed method first converts the 3D path planning problem to a 2D problem by constructing an obstacle map at a given above-ground-level altitude. A quad-tree decomposition is then used to build a search space in terms of obstacle occupancy and wind difference. The wind cost of traveling through each cell is defined based on energy consumption under various wind conditions. A repulsive potential is also adopted to make sure that the flight plans stay away from obstacles. The Theta* search algorithm, a variant of A* algorithm, is applied to mitigate the path angle change constraints introduced by grid-based graphs. With the Theta* and postsmoothing techniques, an obstacle-free, wind efficient, and constant above-ground-level flight plan can be quickly generated for sUAV operations in urban environments while meeting the lateral path angle constraints. The results showed that the path planning algorithm is efficient and can be finished within several seconds. With a proper choice of wind coefficient, the proposed path planning algorithm outperforms the multiple-shooting trajectory optimization method even in an obstacle-free environment. With the flexibility of incorporating other geo-related costs and computation efficiency, the proposed algorithm shows the potential for real-time flight path planning in complex urban environments.

Path planning↗

DOE OSTI2021

Progress toward favorable landscapes in quantum combinatorial optimization

The performance of variational quantum algorithms relies on the success of using quantum and classical computing resources in tandem. Here, we study how these quantum and classical components interrelate. In particular, we focus on algorithms for solving the combinatorial optimization problem MaxCut, and study how the structure of the classical optimization landscape relates to the quantum circuit used to evaluate the MaxCut objective function. In order to analytically characterize the impact of quantum features on the critical points of the landscape, we consider a family of quantum circuit ansätze composed of mutually commuting elements. We identify multiqubit operations as a key resource and show that overparameterization allows for obtaining favorable landscapes. Namely, we prove that an ansatz from this family containing exponentially many variational parameters yields a landscape free of local optima for generic graphs. However, we further prove that these ansätze do not offer superpolynomial advantages over purely classical MaxCut algorithms. Here, we then present a series of numerical experiments illustrating that noncommutativity and entanglement are important features for improving algorithm performance.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2023

High-Level Synthesis of Irregular Applications: A Case Study on Influence Maximization

The Influence Maximization problem is the problem of identifying a small cohort of actors from a broader population that, when initially activated in a diffusion process, are expected to result in a large number of activations in the population. While the problem is known to be NP-hard, several approximation algorithms have been devised by leveraging its submodular structure. While these algorithms are theoretically efficient, they are computationally very expensive in practice. This work advances the current state-of-the-art parallelization scheme for the IMM algorithm by devising the adoption of custom hardware accelerators implemented on FPGAs by leveraging High Level Synthesis from OpenCL. We study the performance of our proposed approach by exploring optimizations tailored at improving the parallel efficiency of the accelerators and highlight their effects and limitations in accelerating complex graph analytic applications. Our experimental evaluation shows that FPGA acceleration can improve the performance of the LT diffusion model up to 1.72x for the entire application and up to 2.90x for its most important kernel with respect to a CPU only parallel execution. The FPGA acceleration of the LT model shows also a 1.54x reduction in energy consumption when compared to a parallel CPU only run.

Neff, Reece W.↗

DOE OSTI2023

Evaluation of global teleconnections in CMIP6 climate projections using complex networks

In climatological research, the evaluation of climate models is one of the central research subjects. As an expression of large-scale dynamical processes, global teleconnections play a major role in interannual to decadal climate variability. Their realistic representation is an indispensable requirement for the simulation of climate change, both natural and anthropogenic. Therefore, the evaluation of global teleconnections is of utmost importance when assessing the physical plausibility of climate projections. We present an application of the graph-theoretical analysis tool δ-MAPS, which constructs complex networks on the basis of spatio-temporal gridded data sets, here sea surface temperature and geopotential height at 500 hPa. Complex networks complement more traditional methods in the analysis of climate variability, like the classification of circulation regimes or empirical orthogonal functions, assuming a new non-linear perspective. While doing so, a number of technical tools and metrics, borrowed from different fields of data science, are implemented into the δ-MAPS framework in order to overcome specific challenges posed by our target problem. Those are trend empirical orthogonal functions (EOFs), distance correlation and distance multicorrelation, and the structural similarity index. δ-MAPS is a two-stage algorithm. In the first place, it assembles grid cells with highly coherent temporal evolution into so-called domains. In a second step, the teleconnections between the domains are inferred by means of the non-linear distance correlation. We construct 2 unipartite and 1 bipartite network for 22 historical CMIP6 climate projections and 2 century-long coupled reanalyses (CERA-20C and 20CRv3). Potential non-stationarity is taken into account by the use of moving time windows. The networks derived from projection data are compared to those from reanalyses. Our results indicate that no single climate projection outperforms all others in every aspect of the evaluation. But there are indeed models which tend to perform better/worse in many aspects. Differences in model performance are generally low within the geopotential height unipartite networks but higher in sea surface temperature and most pronounced in the bipartite network representing the interaction between ocean and atmosphere.

58 GEOSCIENCES↗

NASA NTRS2012

Intelligent Data Visualization for Cross-Checking Spacecraft System Diagnosis

Any reasoning system is fallible, so crew members and flight controllers must be able to cross-check automated diagnoses of spacecraft or habitat problems by considering alternate diagnoses and analyzing related evidence. Cross-checking improves diagnostic accuracy because people can apply information processing heuristics, pattern recognition techniques, and reasoning methods that the automated diagnostic system may not possess. Over time, cross-checking also enables crew members to become comfortable with how the diagnostic reasoning system performs, so the system can earn the crew s trust. We developed intelligent data visualization software that helps users cross-check automated diagnoses of system faults more effectively. The user interface displays scrollable arrays of timelines and time-series graphs, which are tightly integrated with an interactive, color-coded system schematic to show important spatial-temporal data patterns. Signal processing and rule-based diagnostic reasoning automatically identify alternate hypotheses and data patterns that support or rebut the original and alternate diagnoses. A color-coded matrix display summarizes the supporting or rebutting evidence for each diagnosis, and a drill-down capability enables crew members to quickly view graphs and timelines of the underlying data. This system demonstrates that modest amounts of diagnostic reasoning, combined with interactive, information-dense data visualizations, can accelerate system diagnosis and cross-checking.

Ong, James C.↗

NASA NTRS2017

The Quantum Approximation Optimization Algorithm for MaxCut: A Fermionic View

Farhi et al. recently proposed a class of quantum algorithms, the Quantum Approximate Optimization Algorithm (QAOA), for approximately solving combinatorial optimization problems. A level-p QAOA circuit consists of steps in which a classical Hamiltonian, derived from the cost function, is applied followed by a mixing Hamiltonian. The 2p times for which these two Hamiltonians are applied are the parameters of the algorithm. As p increases, however, the parameter search space grows quickly. The success of the QAOA approach will depend, in part, on finding effective parameter-setting strategies. Here, we analytically and numerically study parameter setting for QAOA applied to MAXCUT. For level-1 QAOA, we derive an analytical expression for a general graph. In principle, expressions for higher p could be derived, but the number of terms quickly becomes prohibitive. For a special case of MAXCUT, the Ring of Disagrees, or the 1D antiferromagnetic ring, we provide an analysis for arbitrarily high level. Using a Fermionic representation, the evolution of the system under QAOA translates into quantum optimal control of an ensemble of independent spins. This treatment enables us to obtain analytical expressions for the performance of QAOA for any p. It also greatly simplifies numerical search for the optimal values of the parameters. By exploring symmetries, we identify a lower-dimensional sub-manifold of interest; the search effort can be accordingly reduced. This analysis also explains an observed symmetry in the optimal parameter values. Further, we numerically investigate the parameter landscape and show that it is a simple one in the sense of having no local optima.

quantum algorithm↗

DOE OSTI2024

Graph-learning approach to combine multiresolution seismic velocity models

SUMMARY The resolution of velocity models obtained by tomography varies due to multiple factors and variables, such as the inversion approach, ray coverage, data quality, etc. Combining velocity models with different resolutions can enable more accurate ground motion simulations. Toward this goal, we present a novel methodology to fuse multiresolution seismic velocity maps with probabilistic graphical models (PGMs). The PGMs provide segmentation results, corresponding to various velocity intervals, in seismic velocity models with different resolutions. Further, by considering physical information (such as ray path density), we introduce physics-informed probabilistic graphical models (PIPGMs). These models provide data-driven relations between subdomains with low (LR) and high (HR) resolutions. Transferring (segmented) distribution information from the HR regions enhances the details in the LR regions by solving a maximum likelihood problem with prior knowledge from HR models. When updating areas bordering HR and LR regions, a patch-scanning policy is adopted to consider local patterns and avoid sharp boundaries. To evaluate the efficacy of the proposed PGM fusion method, we tested the fusion approach on both a synthetic checkerboard model and a fault zone structure imaged from the 2019 Ridgecrest, CA, earthquake sequence. The Ridgecrest fault zone image consists of a shallow (top 1 km) high-resolution shear-wave velocity model obtained from ambient noise tomography, which is embedded into the coarser Statewide California Earthquake Center Community Velocity Model version S4.26-M01. The model efficacy is underscored by the deviation between observed and calculated traveltimes along the boundaries between HR and LR regions, 38 per cent less than obtained by conventional Gaussian interpolation. The proposed PGM fusion method can merge any gridded multiresolution velocity model, a valuable tool for computational seismology and ground motion estimation.

Geochemistry & Geophysics↗

NASA NTRS1985

Performance evaluation of a simulated data-flow computer with low-resolution actors

Basic problems related to the exploitation of parallelism in a program include sequencing of the instructions and communication of the data. It is pointed out that the data-flow approach offers an elegant solution to the sequencing problem, since all data dependencies are automatically handled and only instructions with ready input sets are activated. It is shown that a change in the level of subcomputations (actors) affects communications costs. The concept of variable resolution is discussed, and the testbed environment is examined. Attention is given to the architecture of the processing elements, the communication network, and the simulators. A description of the analytical model is also provided. Simulation and results are discussed, taking into account test programs and allocation, the variation of the number of processing elements, the variation of the resolution in directed acyclic graphs, performance in processing loops, and array handling.

Gaudiot, J. L.↗

DOE OSTI2024

Phase Diagrams of Alloys and Their Hydrides via On-Lattice Graph Neural Networks and Limited Training Data

Efficient prediction of sampling-intensive thermodynamic properties is needed to evaluate material performance and permit high-throughput materials modeling for a diverse array of technology applications. To alleviate the prohibitive computational expense of high-throughput configurational sampling with density functional theory (DFT), surrogate modeling strategies like cluster expansion are many orders of magnitude more efficient but can be difficult to construct in systems with high compositional complexity. We therefore employ minimal-complexity graph neural network models that accurately predict and can even extrapolate to out-of-train distribution formation energies of DFT-relaxed structures from an ideal (unrelaxed) crystallographic representation. This enables the large-scale sampling necessary for various thermodynamic property predictions that may otherwise be intractable and can be achieved with small training data sets. Two exemplars, optimizing the thermodynamic stability of low-density high-entropy alloys and modulating the plateau pressure of hydrogen in metal alloys, demonstrate the power of this approach, which can be extended to a variety of materials discovery and modeling problems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2012

OVERSMART Reporting Tool for Flow Computations Over Large Grid Systems

Structured grid solvers such as NASA's OVERFLOW compressible Navier-Stokes flow solver can generate large data files that contain convergence histories for flow equation residuals, turbulence model equation residuals, component forces and moments, and component relative motion dynamics variables. Most of today's large-scale problems can extend to hundreds of grids, and over 100 million grid points. However, due to the lack of efficient tools, only a small fraction of information contained in these files is analyzed. OVERSMART (OVERFLOW Solution Monitoring And Reporting Tool) provides a comprehensive report of solution convergence of flow computations over large, complex grid systems. It produces a one-page executive summary of the behavior of flow equation residuals, turbulence model equation residuals, and component forces and moments. Under the automatic option, a matrix of commonly viewed plots such as residual histograms, composite residuals, sub-iteration bar graphs, and component forces and moments is automatically generated. Specific plots required by the user can also be prescribed via a command file or a graphical user interface. Output is directed to the user s computer screen and/or to an html file for archival purposes. The current implementation has been targeted for the OVERFLOW flow solver, which is used to obtain a flow solution on structured overset grids. The OVERSMART framework allows easy extension to other flow solvers.

Kao, David L.↗

DOE OSTI2020

Deep Learning-Based Queue-Aware Eco-Approach and Departure System for Plug-In Hybrid Electric Buses at Signalized Intersections: A Simulation Study

Eco-Approach and Departure (EAD) has been considered as a promising eco-driving strategy for vehicles traveling in an urban environment, where information such as signal phase and timing (SPaT) and geometric intersection description is well utilized to guide vehicles passing through intersections in the most energy-efficient manner. Previous studies formulated the optimal trajectory planning problem as finding the shortest path on a graphical model. While this method is effective in terms of energy saving, its computation efficiency can be further enhanced by adopting machine learning techniques. In this paper, we propose an innovative deep learning-based queue-aware eco-approach and departure (DLQ-EAD) system for a plug-in hybrid electric bus (PHEB), which is able to provide an online optimal trajectory for the vehicle considering both the downstream traffic condition (i.e. traffic lights, queues) and the vehicle powertrain efficiency. Based on optimal solutions obtained from the graph-based trajectory planning algorithm (GTPA), a deep neural network (DNN) is developed to learn the optimal vehicle speed for the next time step given its current state. It is demonstrated that the trained DNN can provide energy-efficient trajectories with high computational efficiency and high flexibility adopting to dynamic changes in the surrounding environment. To address the impact of downstream traffic, a queue prediction model is further developed using data from radars and connected vehicles (CVs), as well as signal timing data from SPaT messages. A comprehensive simulation study in the microscopic traffic modeling software PTV VISSIM shows that the proposed DLQ-EAD can achieve 18.7%-24.0% energy efficiency improvements for a single PHEB on various traffic congestion levels. The proposed queue prediction model can be of practical significance even at low penetration rates of CVs. Specifically, additional energy savings of 2.0%-8.2% can be further achieved with 20% vehicles in the network.

Ye, Fei↗

DOE OSTI2021

Neuromorphic Graph Algorithms

Graph algorithms enable myriad large-scale applications including cybersecurity, social network analysis, resource allocation, and routing. The scalability of current graph algorithm implementations on conventional computing architectures are hampered by the demise of Moore’s law. We present a theoretical framework for designing and assessing the performance of graph algorithms executing in networks of spiking artificial neurons. Although spiking neural networks (SNNs) are capable of general-purpose computation, few algorithmic results with rigorous asymptotic performance analysis are known. SNNs are exceptionally well-motivated practically, as neuromorphic computing systems with 100 million spiking neurons are available, and systems with a billion neurons are anticipated in the next few years. Beyond massive parallelism and scalability, neuromorphic computing systems offer energy consumption orders of magnitude lower than conventional high-performance computing systems. We employ our framework to design and analyze new spiking algorithms for shortest path and dynamic programming problems. Our neuromorphic algorithms are message-passing algorithms relying critically on data movement for computation. For fair and rigorous comparison with conventional algorithms and architectures, which is challenging but paramount, we develop new models of data-movement in conventional computing architectures. This allows us to prove polynomial-factor advantages, even when we assume a SNN consisting of a simple grid-like network of neurons. To the best of our knowledge, this is one of the first examples of a rigorous asymptotic computational advantage for neuromorphic computing.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2010

Comparison of Traditional Design Nonlinear Programming Optimization and Stochastic Methods for Structural Design

Structural design generated by traditional method, optimization method and the stochastic design concept are compared. In the traditional method, the constraints are manipulated to obtain the design and weight is back calculated. In design optimization, the weight of a structure becomes the merit function with constraints imposed on failure modes and an optimization algorithm is used to generate the solution. Stochastic design concept accounts for uncertainties in loads, material properties, and other parameters and solution is obtained by solving a design optimization problem for a specified reliability. Acceptable solutions were produced by all the three methods. The variation in the weight calculated by the methods was modest. Some variation was noticed in designs calculated by the methods. The variation may be attributed to structural indeterminacy. It is prudent to develop design by all three methods prior to its fabrication. The traditional design method can be improved when the simplified sensitivities of the behavior constraint is used. Such sensitivity can reduce design calculations and may have a potential to unify the traditional and optimization methods. Weight versus reliabilitytraced out an inverted-S-shaped graph. The center of the graph corresponded to mean valued design. A heavy design with weight approaching infinity could be produced for a near-zero rate of failure. Weight can be reduced to a small value for a most failure-prone design. Probabilistic modeling of load and material properties remained a challenge.

Patnaik, Surya N.↗

NASA NTRS1989

Automatic determination of fault effects on aircraft functionality

The problem of determining the behavior of physical systems subsequent to the occurrence of malfunctions is discussed. It is established that while it was reasonable to assume that the most important fault behavior modes of primitive components and simple subsystems could be known and predicted, interactions within composite systems reached levels of complexity that precluded the use of traditional rule-based expert system techniques. Reasoning from first principles, i.e., on the basis of causal models of the physical system, was required. The first question that arises is, of course, how the causal information required for such reasoning should be represented. The bond graphs presented here occupy a position intermediate between qualitative and quantitative models, allowing the automatic derivation of Kuipers-like qualitative constraint models as well as state equations. Their most salient feature, however, is that entities corresponding to components and interactions in the physical system are explicitly represented in the bond graph model, thus permitting systematic model updates to reflect malfunctions. Researchers show how this is done, as well as presenting a number of techniques for obtaining qualitative information from the state equations derivable from bond graph models. One insight is the fact that one of the most important advantages of the bond graph ontology is the highly systematic approach to model construction it imposes on the modeler, who is forced to classify the relevant physical entities into a small number of categories, and to look for two highly specific types of interactions among them. The systematic nature of bond graph model construction facilitates the process to the point where the guidelines are sufficiently specific to be followed by modelers who are not domain experts. As a result, models of a given system constructed by different modelers will have extensive similarities. Researchers conclude by pointing out that the ease of updating bond graph models to reflect malfunctions is a manifestation of the systematic nature of bond graph construction, and the regularity of the relationship between bond graph models and physical reality.

Feyock, Stefan↗

NASA NTRS2002

An Interactive Excel Program for Tracking a Single Droplet in Crossflow Computation

Spray jet in crossflow has been a subject of research because of its wide application in systems involving pollutant dispersion, jet mixing in the dilution zone of combustors, and fuel injection strategies. The focus of this work is to investigate dispersion of a 2-dimensional atomized spray jet into a 2-dimensional crossflow. A quick computational method is developed using available software. The spreadsheet can be used for any 2D droplet trajectory problem where the drop is injected into the free stream eventually coming to the free stream conditions. During the transverse injection of a spray into high velocity airflow, the droplets (carried along and deflected by a gaseous stream of co-flowing air) are subjected to forces that affect their motion in the flow field. Based on the Newton's Second Law of motion, four ordinary differential equations were used. These equations were then solved by a fourth-order Runge-Kutta method using Excel software. Visual basic programming and Excel macrocode to produce the data facilitate Excel software to plot graphs describing the droplet's motion in the flow field. This program computes and plots the data sequentially without forcing users to open other types of plotting programs. A user's manual on how to use the program is also included in this report.

Urip, E.↗