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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

QuAIL Tools for Benchmarking, Analysis and Quantum Algorithm Development

HybridQ and PySA are open-source tools developed by NASA to support benchmarking, analysis and quantum algorithm development in areas such as simulation, optimization and machine learning. These tools leverage classical hardware acceleration via high-performance computing CPU and GPU architectures and support high-performance computing. HybridQ is a highly extensible platform designed to provide a common framework to integrate multiple state-of-the-art techniques to simulate large scale quantum circuits. PySA is an extensible platform to optimize a classical cost function. We provide an outline of each of these open-source tools and highlight projects using each of these tools in contexts of simulation, optimization and machine learning.

Quantum Computing↗
DOE OSTI2024

A Kaczmarz-inspired approach to accelerate the optimization of neural network wavefunctions

Neural network wavefunctions optimized using the variational Monte Carlo method have been shown to produce highly accurate results for the electronic structure of atoms and small molecules, but the high cost of optimizing such wavefunctions prevents their application to larger systems. We propose the Subsampled Projected-Increment Natural Gradient Descent (SPRING) optimizer to reduce this bottleneck. SPRING combines ideas from the recently introduced minimum-step stochastic reconfiguration optimizer (MinSR) and the classical randomized Kaczmarz method for solving linear least-squares problems. We demonstrate that SPRING outperforms both MinSR and the popular Kronecker-Factored Approximate Curvature method (KFAC) across a number of small atoms and molecules, given that the learning rates of all methods are optimally tuned. For example, on the oxygen atom, SPRING attains chemical accuracy after forty thousand training iterations, whereas both MinSR and KFAC fail to do so even after one hundred thousand iterations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Grover-QAOA for 3-SAT: quadratic speedup, fair-sampling, and parameter clustering

Abstract The SAT problem is a prototypical NP-complete problem of fundamental importance in computational complexity theory with many applications in science and engineering; as such, it has long served as an essential benchmark for classical and quantum algorithms. This study shows numerical evidence for a quadratic speedup of the Grover Quantum Approximate Optimization Algorithm (G-QAOA) over random sampling for finding all solutions to 3-SAT (All-SAT) and Max-SAT problems. G-QAOA is less resource-intensive and more adaptable for these problems than Grover’s algorithm, and it surpasses conventional QAOA in its ability to sample all solutions. We show these benefits by classical simulations of many-round G-QAOA on thousands of random 3-SAT instances. We also observe G-QAOA advantages on the IonQ Aria quantum computer for small instances, finding that current hardware suffices to determine and sample all solutions. Interestingly, a single-angle-pair constraint that uses the same pair of angles at each G-QAOA round greatly reduces the classical computational overhead of optimizing the G-QAOA angles while preserving its quadratic speedup. We also find parameter clustering of the angles. The single-angle-pair protocol and parameter clustering significantly reduce obstacles to classical optimization of the G-QAOA angles.

Zhang, Zewen (ORCID:000000032258613X)↗
NASA NTRS1981

Classical and modern control design of a speed-hold system for a STOL airplane

A speed-hold system for an experimental short takeoff and landing jet airplane has been designed using both classical root-locus and modern optimal control synthesis techniques. The purpose of the speed-hold system is to maintain airspeed during final approach in the presence of wind shears, gusts, engine failures, and pilot control inputs. Designs were based on using airspeed as a single measurement and two symmetrically deployed upper surface blown flaps as a single control. An optimal control law feeding back all the states and the integral of airspeed through constant gains provided superior performance in terms of speed tracking and control surface activity. However, when a constant-gain Kalman filter was inserted to estimate the states using only the measurement of airspeed, the performance of the optimal control law was reduced to the same as that of a much simpler classical proportional-path plus integral-path control law. To improve the performance of the optimal control law, additional measurements would be required.

Blight, J. D.↗
NASA NTRS1973

Limiting performance of dynamic systems subject to random inputs

The problem of determining the limiting performance characteristics of mechanical systems subject to random input is studied. A review is presented of the classical work in the optimal design of stochastic systems. Some recent results of stochastic optimal control theory are employed. The solution to the limiting performance problem is formulated in both the frequency and time domains. Both formulations require substantial, burdensome computations when applied to large scale systems.

Pilkey, W. D.↗
NASA NTRS1998

Conversion from Engineering Units to Telemetry Counts on Dryden Flight Simulators

Dryden real-time flight simulators encompass the simulation of pulse code modulation (PCM) telemetry signals. This paper presents a new method whereby the calibration polynomial (from first to sixth order), representing the conversion from counts to engineering units (EU), is numerically inverted in real time. The result is less than one-count error for valid EU inputs. The Newton-Raphson method is used to numerically invert the polynomial. A reverse linear interpolation between the EU limits is used to obtain an initial value for the desired telemetry count. The method presented here is not new. What is new is how classical numerical techniques are optimized to take advantage of modem computer power to perform the desired calculations in real time. This technique makes the method simple to understand and implement. There are no interpolation tables to store in memory as in traditional methods. The NASA F-15 simulation converts and transmits over 1000 parameters at 80 times/sec. This paper presents algorithm development, FORTRAN code, and performance results.

Fantini, Jay A.↗
NASA NTRS2016

Spin Glass Patch Planting

In this paper, we propose a patch planting method for creating arbitrarily large spin glass instances with known ground states. The scaling of the computational complexity of these instances with various block numbers and sizes is investigated and compared with random instances using population annealing Monte Carlo and the quantum annealing DW2X machine. The method can be useful for benchmarking tests for future generation quantum annealing machines, classical and quantum mechanical optimization algorithms.

Quantum Annealing↗
NASA NTRSDate not supplied

A Modern Load Relief Guidance Scheme for Space Launch Vehicles

Launch vehicle load relief algorithms are concerned with realizing a reduction of transient bending moments near maximum dynamic pressure. Traditional approaches to load relief typically use inner-loop acceleration feedback to reduce the wind-induced angle of attack. When implemented in the inner loop, load relief bandwidth is necessarily limited by the achievable stability margins, and when acceleration feedback is employed, by the uncertainty associated with structural modes that couple with the body-mounted accelerometer. The structure of inner loop load relief increases the dimensionality of the flight control gain and filter optimization problem. Most importantly, classical load relief laws do not take advantage of high-rate and high-accuracy GPS-aided inertial velocity data that is readily available from modern strap down IMUs. In this paper, a novel load relief guidance scheme is described that uses direct angle-of-attack feedback in a clever mechanization. The steering commands are determined by examining the wind-perturbed dynamics of a launch vehicle with respect to a gravity turn ascent trajectory. An angle of attack estimate is derived from GPS-aided inertial data and pre-launch range wind measurements, and it is shown that a reduction worst-case rigid-body loads can be realized without requiring air data. The algorithm also includes a high-rate navigation data preprocessing scheme that operates directly on the IMU delta-theta and delta-velocity measurements in order to produce a filtered acceleration estimate at the vehicle center of mass. The outer-loop guidance scheme simplifies the design process for the classical inner-loop autopilot. Algorithm performance is demonstrated using Monte Carlo analysis of a representative liquid booster in a production high fidelity launch vehicle simulation.

NESC↗
NASA NTRS1992

Aerodynamic design of axisymmetric hypersonic wind-tunnel nozzles using least-squares/parabolized Navier-Stokes procedure

A new procedure unifying the best of present classical design practices, CFD and optimization procedures, is demonstrated for designing the aerodynamic lines of hypersonic wind tunnel nozzles. This procedure can be employed to design hypersonic wind tunnel nozzles with thick boundary layers where the classical design procedure has been demonstrated to break down. Advantages of this procedure allow full utilization of powerful CFD codes in the design process, solves an optimization problem to determine the new contour, may be used to design new nozzles or improve sections of existing nozzles, and automatically compensates the nozzle contour for viscous effects as part of the unified design procedure.

Korte, John J.↗
NASA NTRSDate not supplied

Introducing Tropical Geometric Approaches to Delay Tolerant Networking Optimization

Delay Tolerant Networking (DTN) is the standard approach to the networking of space systems with the goal of supporting the Solar System Internet (SSI). Current space networks have a small scale and often depend on rigorously scheduled (pre-determined) contact opportunities; this manual approach inhibits scalability. The goal of this paper is to recast these scheduling problems in order to apply the optimization machinery of tropical geometry. Contact opportunities in space are dependent on such factors as orbital mechanics and asset availability, which induce time-varying connectivity; indeed, end-to-end connectivity might never occur. Routing optimization within this structure is classically difficult and typically utilizes Dijkstra's algorithm as applied to contact graphs. Alternatively, we follow the successes of tropical geometry in train schedule optimization, job assignments, and even traditional networking, by extending this approach to this more general (i.e. disconnected) problem space. These successes imply tropical geometry provides a useful framework in the context of DTNs, starting with applications to queuing theory and long-haul links. Recently, tropical geometry has been applied to parametric path optimization on graphs with variable edge weights. In this work, we extend these advances to account for the problem of routing in a space network, and find that tropical geometry is well-suited to the challenges offered by this new setting, including contact schedules featuring probabilities. Our approach leverages the combinatorial nature of the problem to give feasible shortest path trees in the presence of variable channel conditions and latency, evolving topologies, and uncertainty inherent in space routing. We discuss our tropical approach to DTN for two Python implementations, a Verilog Tropical ALU implementation, tropical frameworks for other parametric graph problems, and solution stability. Lastly, a program for future work is included to illuminate the path ahead.

Delay Tolerant Networking↗
DOE OSTI2025

Quantifying the impact of precision errors on quantum approximate optimization algorithms

The quantum approximate optimization algorithm (QAOA) is a hybrid quantum-classical algorithm that seeks to achieve approximate solutions to optimization problems by iteratively alternating between intervals of controlled quantum evolution. Here, we examine the effect of analog precision errors on QAOA performance from the perspective of both algorithmic training and performance guarantees. Leveraging cumulant expansions, we recast the faulty QAOA as a control problem in which precision errors are expressed as multiplicative control noise and derive bounds on the performance of QAOA. We show using both analytical techniques and numerical simulations that fixed precision implementations of QAOA circuits are subject to an exponential degradation in performance dependent upon the number of optimal QAOA layers and magnitude of the precision error. Despite this significant reduction, we show that it is possible to mitigate precision errors in QAOA via digitization of the variational parameters at the cost of increasing circuit depth.

quantum algorithms↗
DOE OSTI2025

Designing an Optimal Sensor Network via Minimizing Information Loss

Optimal experimental design is a classic topic in statistics, with many well-studied problems, applications, and solutions. The design problem we study is the placement of sensors to monitor spatiotemporal processes, explicitly accounting for the temporal dimension in our modeling and optimization. We observe that recent advancements in computational sciences often yield large datasets based on physics-based simulations, which are rarely leveraged in experimental design. We introduce a novel model-based sensor placement criterion, along with a highly-efficient optimization algorithm, which integrates physics-based simulations and Bayesian experimental design principles to identify sensor networks that “minimize information loss” from simulated data. Our technique relies on sparse variational inference and (separable) Gauss-Markov priors, and thus may adapt many techniques from Bayesian experimental design. We validate our method through a case study monitoring air temperature in Phoenix, Arizona, using state-of-the-art physics-based simulations. Our results show our framework to be superior to random or quasi-random sampling, particularly with a limited number of sensors. We conclude by discussing practical considerations and implications of our framework, including more complex modeling tools and real-world deployments.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1993

Techniques for designing rotorcraft control systems

This report summarizes the work that was done on the project from 1 Apr. 1992 to 31 Mar. 1993. The main goal of this research is to develop a practical tool for rotorcraft control system design based on interactive optimization tools (CONSOL-OPTCAD) and classical rotorcraft design considerations (ADOCS). This approach enables the designer to combine engineering intuition and experience with parametric optimization. The combination should make it possible to produce a better design faster than would be possible using either pure optimization or pure intuition and experience. We emphasize that the goal of this project is not to develop an algorithm. It is to develop a tool. We want to keep the human designer in the design process to take advantage of his or her experience and creativity. The role of the computer is to perform the calculation necessary to improve and to display the performance of the nominal design. Briefly, during the first year we have connected CONSOL-OPTCAD, an existing software package for optimizing parameters with respect to multiple performance criteria, to a simplified nonlinear simulation of the UH-60 rotorcraft. We have also created mathematical approximations to the Mil-specs for rotorcraft handling qualities and input them into CONSOL-OPTCAD. Finally, we have developed the additional software necessary to use CONSOL-OPTCAD for the design of rotorcraft controllers.

Levine, William S.↗
DOE OSTI2026

RxnRover/amlro

AMLRO (Active Machine Learning Reaction Optimizer) is an open-source framework designed to accelerate chemical reaction optimization using active learning with classical machine learning regression models. AMLRO integrates space-filling sampling strategies (e.g., Sobol and Latin Hypercube sampling) with iterative model training, prediction, and experiment selection to efficiently navigate complex reaction spaces. The platform supports multiple regression models, flexible multi-objective definitions, and user-defined parameter bounds, enabling data-efficient optimization from small initial datasets. AMLRO is designed for ease of use by experimentalists and can operate as a standalone decision-support tool or be integrated into closed-loop automated experimentation workflows.

Kulathunga, Dulitha Prasanna [Iowa State Universit↗
NASA NTRSDate not supplied

Exploring Quantum State Preparation Using Tensor Networks and Sparse Wavefunction Simulations

The variational quantum eigenvalue solver is a powerful hybrid quantum-classical approach that has been suggested as a candidate method to run on near-term quantum hardware for computing ground state electronic energies of molecular systems. However, even for small molecules, the number of variational parameters and qubits required to minimize the electronic energy is beyond the reach of current quantum computers except for small basis sets. We explore a new paradigm for state preparation where we test how much of the optimization can be approximately prepared with classical computers to reduce the number of optimization steps performed using a quantum device. By adapting a recent algorithm for the factorized form of the UCC ansatz, we can study molecular electronic structure problems with up to 64 qubits. In addition, we also test a related approach of using tensor networks to optimize quantum circuits in order to benchmark various lattice models. We present results using these approaches and discuss strategies for incorporating these ideas into variational algorithms involving near-term quantum computers. Our results help demonstrate the strength of the UCC ansatz and address pressing questions about optimal initial parameterizations and circuit construction.

quantum computing↗
NASA NTRS1992

Control-structure interaction

The feasibility of using conventional proportional-integral-derivative (PID) control and an alternative optimal control to perform the pointing and tracking functions of the Space Station solar dynamic power module is investigated. A very large state model of 6 rigid body modes and 272 flexible modes is used in conjunction with classical linear-quadratic-Gaussian (LQG) optimal control to produce a full-order controller that satisfies the requirements. The results are compared with a classically designed PID controller that was implemented for a much smaller (6 rigid body, 40 flexible modes) model. The conventional control design approach is shown to be very much influenced by the order reduction of the plant model, i.e., the number of retained elastic modes from the full-order model, suggesting that for a complex, large space structure, such as the Space Station Freedom solar dynamic module, application of conventional control system design methods may not be adequate. The use of LQG control is recommended, and method for solving the large matrix. Riccati equation that arises from the optimal formulation is provided.

Cheng, Joseph K.↗
NASA NTRS1988

Viscous induced drag

A fundamentally new approach to the aircraft minimum induced drag problem is presented. The method, a 'viscous lifting line', is based on the minimum entropy production principle and does not require the planar wake assumption. An approximate, closed form solution is obtained and compared with several classical results. In addition, the problem of optimizing in-plane wing sweep with constant wing root bending moment is considered. Like the classical lifting line theory, this theory predicts that induced drag is proportional to the square of the lift coefficient and inversely proportional to the wing aspect ratio. Unlike the classical theory, it predicts that in-plane wing sweep may significantly reduce induced drag, that induced drag is Reynolds number dependent, and that the optimum spanwise circulation distribution is non-elliptic.

Greene, George C.↗