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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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All sourcesNASA NTRSDOE OSTI
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↗
NASA NTRS1989

Ring dynamics

Theoretical models of planetary-ring dynamics are discussed in a detailed analytical review and illustrated with graphs and diagrams. The streamline concept is introduced, and the phenomena associated with the transport of angular momentum are described. Particular attention is then given to (1) broad rings like those of Saturn (shepherding, density-wave excitation, gaps, bending-wave excitation, multiringlet structures, inner-edge shepherding, and the possibility of polar rings around Neptune), (2) narrow rings like those of Uranus (shepherding, ring shapes, and a self-gravity model of rigid precession), and (3) ring arcs like those seen in stellar-occultation observations of Neptune.

Borderies, Nicole↗
DOE OSTI2025

InterGraph-CPS: A Graph-Theoretic Approach to Characterize Cross-Domain Cyber-Physical Interdependencies and Uncertainties in Electric Grid Systems for Improved Decision-Making in Operation and Response

Critical infrastructure systems such as the electric grid are increasingly cyber-physical; yet, despite the cyber-physical characteristics of critical infrastructure systems, the physical process system and communication/control network system are traditionally analyzed in siloes. As these systems become more cyber-physical, it is crucial that models and methods are available to assess the cyber physical system (CPS) interdependencies, characteristics, and event propagation for improved planning, operation, and response. Thus, we proposed an integrated structural and temporal CPS interdependency analysis framework, InterGraph-CPS, that provides insight into the CPS function during normal operation as well as disturbances. This integrated structural and temporal interdependency framework is uniquely designed for assessing CPSs by account for the challenges of analyzing cyber and physical data streams together due to data availability, data type, and time scale differences. By leveraging both structural (e.g., graph analysis) and temporal (e.g., data analytics) techniques, different CPS behaviors and configurations can be accounted for.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS1991

Structural stereopsis - Potential for automatic stereo camera calibration

The paper describes the use of extended edge features as a source of primitives for structural stereopsis and considers the design of a system for autonomous camera calibration. It is shown that the structural approach permits greater use of spatial relational constraints, eliminating the coarse-to-fine tracking of point-based algorithms. Experimental results concerning matching and calibration on real images using Laplacian-of-Gaussian contour fragments as primitives in structural stereopsis are presented, and results in graph-theoretic representation and inexact matches, analytical photogrammetry, and other computer vision and image analysis problem domains are examined. Such a system might be used in aerial photogrammetry and cartography, and robotic vision systems; however, the system is still very much under development.

Boyer, Kim L.↗
DOE OSTI2025

Expediting field-effect transistor chemical sensor design with neuromorphic spiking graph neural networks

Improving the sensitive and selective detection of analytes in a variety of applications requires accelerating the rational design of field-effect transistor (FET) chemical sensors. Achieving high-performance detection relies on identifying optimal probe materials that can effectively interact with target analytes, a process traditionally driven by chemical intuition and time-consuming trial-and-error methods. To address the difficulties in probe screening for FET sensor development, this work presents a methodology that combines neuromorphic machine learning (ML) architectures, specifically a hybrid spiking graph neural network (SGNN), with an enriched dataset of physicochemical properties through semi-automated data extraction using large language models. Achieving a classification accuracy of 0.89 in predicting sensor sensitivity categories, the SGNN model outperformed traditional ML techniques by leveraging its ability to capture both global physicochemical properties and sparse topological features through a hybrid modeling framework. Next-generation sensor design was informed by the actionable insights into the connections between material properties and sensing performance offered by the SGNN framework. Through virtual screening for the detection of per- and polyfluoroalkyl substances (PFAS) as a use case, the effectiveness of the SGNN model was further validated. Density functional theory simulations confirmed graphene as a promising active material for PFAS detection as suggested by the SGNN framework. By bridging gaps in predictive modeling and data availability, this integrated approach provides a strong foundation for accelerating advancements in FET sensor design and innovation.

Ferreira, Rodrigo Pires [Univ. of Chicago, IL (Uni↗
DOE OSTI2026

Towards Generalizable and Efficient Circuit Topology Design: A Graph-Transformer-based Surrogate Model with Curriculum Learning

Unlike circuit parameter and sizing optimizations, the automated design of analog circuit topologies poses significant challenges for learning-based approaches. One challenge arises from the combinatorial growth of the topology space with circuit size, which limits the topology optimization efficiency. Moreover, traditional circuit evaluation methods are time-consuming, while the presence of data discontinuity in the topology space makes the accurate prediction of circuit performance exceptionally difficult for unseen topologies. To tackle these challenges, we design a novel Graph-Transformer-based Network (GTN) as the surrogate model for circuit evaluation, offering a substantial acceleration in the speed of circuit topology optimization without sacrificing performance. Our GTN model architecture is designed to embed voltage changes in circuit loops and current flows in connected devices, enabling accurate performance predictions for circuits with unseen topologies. To address the cold start problem when scaling GTN to large-scale circuits, we further introduce a curriculum learning strategy that progressively trains GTN from small-scale to large-scale circuits. This approach enables the model to first learn fundamental physical principles from simpler topologies and gradually adapt to complex configurations, effectively bridging the circuit complexity gap and improving prediction accuracy. Taking the power converter circuit design as an experimental task, our GTN model significantly outperforms an analytical approach and baseline methods directly utilizing graph neural networks. Furthermore, GTN achieves less than 5% relative error and 196× speed-up compared with high-fidelity simulation. Notably, our GTN surrogate model empowers an automatic circuit design framework to discover circuits of comparable quality to those identified through high-fidelity simulation while reducing the time required by up to 98.2%. With curriculum learning, the enhanced GTN achieves a 51% improvement for performance prediction of large-scale circuits compared to the GTN model without this strategy. These advancements establish GTN as a scalable framework for automated analog circuit design across varying circuit complexity levels.

Lu, Haoshu [New Jersey Institute of Technology (NJ↗
NASA NTRS1984

A rapid method for obtaining frequency-response functions for multiple input photogrammetric data

A two-digital-camera photogrammetric technique for measuring the motion of a vibrating spacecraft structure or wing surface and an applicable data-reduction algorithm are presented. The 3D frequency-response functions are obtained by coordinate transformation from averaged cross and autopower spectra derived from the 4D camera coordinates by Fourier transformation. Error sources are investigated analytically, and sample results are shown in graphs.

Kroen, M. L.↗
NASA NTRS1990

Effects of source vs. interactive actuator assumptions on modelling of a smart structure

Embedded or internal actuators in a structure are being utilized to perform vibration attenuation, pointing maneuvers, damage control, and other adaptive tasks. The controls-structures-interaction (CSI) design process depends strongly on the coupled dynamic response of the structure and the actuators. A bond graph approach is used to guide this analytical study to uncover the effects of certain generic actuator types on the closed-loop, initial condition control of a single-mode structural model and an eighteen-state model of an active truss. So-called 'flow' and 'effort' source actuator types were studied and were shown to have significant differences in closed-loop response for ranges of initial conditions and system open-loop natural frequencies.

Robertshaw, Harry H.↗
NASA NTRS2004

Advanced Technology Lifecycle Analysis System (ATLAS)

Developing credible mass and cost estimates for space exploration and development architectures require multidisciplinary analysis based on physics calculations, and parametric estimates derived from historical systems. Within the National Aeronautics and Space Administration (NASA), concurrent engineering environment (CEE) activities integrate discipline oriented analysis tools through a computer network and accumulate the results of a multidisciplinary analysis team via a centralized database or spreadsheet Each minute of a design and analysis study within a concurrent engineering environment is expensive due the size of the team and supporting equipment The Advanced Technology Lifecycle Analysis System (ATLAS) reduces the cost of architecture analysis by capturing the knowledge of discipline experts into system oriented spreadsheet models. A framework with a user interface presents a library of system models to an architecture analyst. The analyst selects models of launchers, in-space transportation systems, and excursion vehicles, as well as space and surface infrastructure such as propellant depots, habitats, and solar power satellites. After assembling the architecture from the selected models, the analyst can create a campaign comprised of missions spanning several years. The ATLAS controller passes analyst specified parameters to the models and data among the models. An integrator workbook calls a history based parametric analysis cost model to determine the costs. Also, the integrator estimates the flight rates, launched masses, and architecture benefits over the years of the campaign. An accumulator workbook presents the analytical results in a series of bar graphs. In no way does ATLAS compete with a CEE; instead, ATLAS complements a CEE by ensuring that the time of the experts is well spent Using ATLAS, an architecture analyst can perform technology sensitivity analysis, study many scenarios, and see the impact of design decisions. When the analyst is satisfied with the system configurations, technology portfolios, and deployment strategies, he or she can present the concepts to a team, which will conduct a detailed, discipline-oriented analysis within a CEE. An analog to this approach is the music industry where a songwriter creates the lyrics and music before entering a recording studio.

O'Neil, Daniel A.↗
NASA NTRS2009

Understanding the Scalability of Bayesian Network Inference using Clique Tree Growth Curves

Bayesian networks (BNs) are used to represent and efficiently compute with multi-variate probability distributions in a wide range of disciplines. One of the main approaches to perform computation in BNs is clique tree clustering and propagation. In this approach, BN computation consists of propagation in a clique tree compiled from a Bayesian network. There is a lack of understanding of how clique tree computation time, and BN computation time in more general, depends on variations in BN size and structure. On the one hand, complexity results tell us that many interesting BN queries are NP-hard or worse to answer, and it is not hard to find application BNs where the clique tree approach in practice cannot be used. On the other hand, it is well-known that tree-structured BNs can be used to answer probabilistic queries in polynomial time. In this article, we develop an approach to characterizing clique tree growth as a function of parameters that can be computed in polynomial time from BNs, specifically: (i) the ratio of the number of a BN's non-root nodes to the number of root nodes, or (ii) the expected number of moral edges in their moral graphs. Our approach is based on combining analytical and experimental results. Analytically, we partition the set of cliques in a clique tree into different sets, and introduce a growth curve for each set. For the special case of bipartite BNs, we consequently have two growth curves, a mixed clique growth curve and a root clique growth curve. In experiments, we systematically increase the degree of the root nodes in bipartite Bayesian networks, and find that root clique growth is well-approximated by Gompertz growth curves. It is believed that this research improves the understanding of the scaling behavior of clique tree clustering, provides a foundation for benchmarking and developing improved BN inference and machine learning algorithms, and presents an aid for analytical trade-off studies of clique tree clustering using growth curves.

Mengshoel, Ole Jakob↗
DOE OSTI2025

Optimizing Management of Persistent Data Structures in High-Performance Analytics

Large-scale data analytics workflows ingest massive input data into various data structures, including graphs and key-value datastores. These data structures undergo multiple transformations and computations and are typically reused in incremental and iterative analytics workflows. Persisting in-memory views of these data structures enables reusing them beyond the scope of a single program run while avoiding repetitive raw data ingestion overheads. Memory-mapped I/O enables persisting in-memory data structures without data serialization and deserialization overheads. However, memory-mapped I/O lacks the key feature of persisting consistent snapshots of these data structures for incremental ingestion and processing. The obstacles to efficient virtual memory snapshots using memory-mapped I/O include background writebacks outside the application’s control, and the significantly high storage footprint of such snapshots. To address these limitations, we present Privateer, a memory and storage management tool that enables storage-efficient virtual memory snapshotting while also optimizing snapshot I/O performance. Here, we integrated Privateer into Metall, a state-of-the-art persistent memory allocator for C++, and the Lightning Memory-Mapped Database (LMDB), a widely-used key-value datastore in data analytics and machine learning. Privateer optimized application performance by 1.22× when storing data structure snapshots to node-local storage, and up to 16.7× when storing snapshots to a parallel file system. Privateer also optimizes storage efficiency of incremental data structure snapshots by up to 11× using data deduplication and compression.

Computer science↗
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↗
DOE OSTI2026

MapsTorch : automatic differentiation for X-ray fluorescence data analysis

X-ray fluorescence (XRF) is a popular spectroscopy technique for elemental analysis. Spectrum fitting and parameter tuning are at the core of XRF analysis and are conventionally manually intensive, especially for synchrotron experiments involving large amounts of diverse samples. This work introduces the automatic differentiation (AD) technique to XRF and an open-source package called MapsTorch. By transforming an analytical model of the XRF spectrum into a differentiable computation graph with AD, MapsTorch enables robust optimization of parameters and elemental intensities. We evaluate MapsTorch by conducting computational experiments on a large number of historical synchrotron XRF datasets and compare its performance with the currently practiced fitting tool NLopt. The results show that MapsTorch consistently achieves high-quality fits and often leads to better fitting quality than NLopt, particularly in tasks such as initial spectrum fitting and elemental intensity refinement. The robust performance of MapsTorch paves the way for developing automated and high-throughput XRF data analysis workflows to handle the increasing data volumes expected from next-generation synchrotron facilities.

X-ray fluorescence↗
NASA NTRS1991

Modeling methods for the design and evaluation of fault-tolerant systems

The authors describe an approach for using directed graph simulation models, behavioral simulation models, and semi-Markov analytic models to implement early- to mid-design analysis activities specified by the SDIO BM/C3 Processor and Algorithm Working Group. The use of the models was demonstrated for a mission scenario requiring parallel, reliable computations with a maximum probability of system failure between 10-4 and 10-2 over a 5-year-preengagement phase and between 10-7 and 10-5 over a half-hour engagement phase.

Scheper, Charlotte O.↗
NASA NTRSDate not supplied

Quantum Leap: Evaluating the Feasibility of Quantum Machine Learning Using NASA Earth Observational Data

This study explores the feasibility of leveraging quantum machine learning (QML) to analyze NASA Earth Observational (EO) data for climate change research, with a particular focus on the phenomenon of ”crop frosting” which has become more prevalent due to climate change. We implemented and evaluated two QML models, the Variational Quantum Classifier (VQC) and Quantum Support Vector Classifier (QSVC), in both simulated and real quantum computing environments using a 127 qubit IBM quantum processor. Our study emphasizes the scientific rigor in comparing these quantum models with a classical Support Vector Machine (SVM) classifier, highlighting their performance in processing climate data. The results offer valuable insights into the potential scientific advantages, limitations, and scalability of QML for analyzing EO datasets, thus paving the way for more advanced climate modeling and predictive analytics using quantum computing. We showcased how Environmental Interaction Knowledge Graphs (EIKGs) and Digital Twins (DTs) can be integrated into this study. This research underscores the transformative potential of Classical and QML leveraging KGs and DT to address the multifaceted challenges posed by climate change.

Quantum Computing↗
NASA NTRS1993

Resource utilization model for the algorithm to architecture mapping model

The analytical model for resource utilization and the variable node time and conditional node model for the enhanced ATAMM model for a real-time data flow architecture are presented in this research. The Algorithm To Architecture Mapping Model, ATAMM, is a Petri net based graph theoretic model developed at Old Dominion University, and is capable of modeling the execution of large-grained algorithms on a real-time data flow architecture. Using the resource utilization model, the resource envelope may be obtained directly from a given graph and, consequently, the maximum number of required resources may be evaluated. The node timing diagram for one iteration period may be obtained using the analytical resource envelope. The variable node time model, which describes the change in resource requirement for the execution of an algorithm under node time variation, is useful to expand the applicability of the ATAMM model to heterogeneous architectures. The model also describes a method of detecting the presence of resource limited mode and its subsequent prevention. Graphs with conditional nodes are shown to be reduced to equivalent graphs with time varying nodes and, subsequently, may be analyzed using the variable node time model to determine resource requirements. Case studies are performed on three graphs for the illustration of applicability of the analytical theories.

Stoughton, John W.↗
NASA NTRS1994

Graphing techniques for materials laboratory using Excel

Engineering technology curricula stress hands on training and laboratory practices in most of the technical courses. Laboratory reports should include analytical as well as graphical evaluation of experimental data. Experience shows that many students neither have the mathematical background nor the expertise for graphing. This paper briefly describes the procedure and data obtained from a number of experiments such as spring rate, stress concentration, endurance limit, and column buckling for a variety of materials. Then with a brief introduction to Microsoft Excel the author explains the techniques used for linear regression and logarithmic graphing.

Kundu, Nikhil K.↗
NASA NTRS1989

Numerical fracture simulation of bend specimens using a CTOD criterion

Stable crack growth in 50-mm-thick side-grooved three-point bend specimens of HY-130 steel is modeled numerically. A two-dimensional elastoplastic FEM formulation incorporating a CTOD fracture criterion is developed analytically, and the theoretical predictions are compared with experimental data in graphs. Good general agreement is obtained, except for the crack extension, which was typically overpredicted. The value of the J integral at crack initiation is found to be 83 kJ/sq m.

Shivakumar, K. N.↗