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At least 1,693 records · Page 94

All sources NASA NTRS DOE OSTI

DOE OSTI2022

Evaluation of Optimal Net Load Management in Microgrids Using Hardware-in-the-Loop Simulation: Preprint

This paper presents the performance evaluation of a net load management (NLM) engine that balances load and generation in an isolated community to power a critical facility after a grid interruption event (e.g., lost a large generation unit). The NLM engine is a central dispatch control system that provides high-speed cost-optimal coordination of a set of net loads (combination of generation and deferrable loads) connected to the same electrical network. The NLM algorithm cost-optimally dispatches the grid-following inverters and deferrable loads based on the demanded power and load priorities, and the grid-forming inverters use droop control to form system voltages and share active and reactive power. A controller-hardware-in-the-loop platform is developed to evaluate the control performance of the NLM algorithm. The experimental results indicate that the NLM engine can achieve the targeted system voltage and frequency and balance load and generation to serve the critical facility.

droop control↗

DOE OSTI2026

Optimization of the FRIB beam dump: a hybrid genetic algorithm and reinforcement learning approach

The operational envelope of high-power-density systems, such as particle accelerators and advanced nuclear energy systems, is critically constrained by the need to manage extreme thermal loads. To address this, we present a novel hybrid optimization framework combining a genetic algorithm (GA) with a soft actor-critic (SAC) deep reinforcement learning agent. This framework was applied to a practical high-heat-flux problem: redesigning the beam dump at the Facility for Rare Isotope Beams (FRIB) for a power upgrade from 20 kW to 50 kW. The resulting design, validated by three-dimensional conjugate heat transfer simulations, suppresses hazardous hot spots and yields a markedly more uniform temperature distribution. This provides a robust operating margin, increasing the average power-handling capability by 72% relative to the current design, demonstrating the framework’s potential to solve complex thermal management challenges in both accelerator technology and advanced nuclear systems.

Accelerator↗

NASA NTRS2013

Peak-Seeking Optimization of Trim for Reduced Fuel Consumption: Flight-Test Results

A peak-seeking control algorithm for real-time trim optimization for reduced fuel consumption has been developed by researchers at the National Aeronautics and Space Administration (NASA) Dryden Flight Research Center to address the goals of the NASA Environmentally Responsible Aviation project to reduce fuel burn and emissions. The peak-seeking control algorithm is based on a steepest-descent algorithm using a time-varying Kalman filter to estimate the gradient of a performance function of fuel flow versus control surface positions. In real-time operation, deflections of symmetric ailerons, trailing-edge flaps, and leading-edge flaps of an F/A-18 airplane (McDonnell Douglas, now The Boeing Company, Chicago, Illinois) are used for optimization of fuel flow. Results from six research flights are presented herein. The optimization algorithm found a trim configuration that required approximately 3 percent less fuel flow than the baseline trim at the same flight condition. The algorithm consistently rediscovered the solution from several initial conditions. These results show that the algorithm has good performance in a relevant environment.

flight optimization↗

NASA NTRS2013

Peak-Seeking Optimization of Trim for Reduced Fuel Consumption: Flight-test Results

flight optimization↗

DOE OSTI2020

Optimized Quantum Compilation for Near-Term Algorithms with OpenPulse

Quantum computers are traditionally operated by programmers at the granularity of a gate-based instruction set. However, the actual device-level control of a quantum computer is performed via analog pulses. Here, we introduce a compiler that exploits direct control at this microarchitectural level to achieve significant improvements for quantum programs. Unlike quantum optimal control, our approach is bootstrapped from existing gate calibrations and the resulting pulses are simple. Our techniques are applicable to any quantum computer and realizable on current devices. We validate our techniques with millions of experimental shots on IBM quantum computers, controlled via the OpenPulse control interface. For representative benchmarks, our pulse control techniques achieve both 1.6x lower error rates and 2x faster execution time, relative to standard gate-based compilation. These improvements are critical in the near-term era of quantum computing, which is bottlenecked by error rates and qubit lifetimes.

Gokhale, Pranav↗

NASA NTRS1993

Optimization by decomposition in structural and multidisciplinary applications

An algorithm for a general, multilevel structural optimization by substructuring is derived, based on the linear decomposition concept that is rooted in the Bellman's Optimality Criterion enhanced with the optimum sensitivity derivatives used as a means to account for coupling among the subproblems, each of which is limited to optimization of a substructure. The algorithm applies also to those multidisciplinary problems whose subproblems form a hierarchy similar to that of substructures. In systems where the subproblems communicate with each other at the same level, the decomposition becomes non-hierarchic and the system may be optimized as a whole based on the derivatives of the system behavior with respect to the design variables computed by a method that bypasses finite differencing on the system analysis. When a multidisciplinary system includes a structure as its part, a hybrid, hierarchic/non-hierarchic decomposition applies. Numerical examples and references to computational experience accumulated to date illustrate the discussion.

Sobieszczanski-Sobieski, Jaroslaw↗

DOE OSTI2021

Explaining Missing Data in Graphs: A Constraint-based Approach

Abstract: This paper introduces a constraint-based approach to clarify missing values in graphs. Our method capitalizes on a set S of graph data constraints. An explanation is a sequence of operational enforcement of S towards the recovery of interested yet missing data (e.g., attribute values, edges). We show that constraint-based approach helps us to understand not only why a value is missing, but also how to recover the missing value. We study S-explanation problem, which is to compute the optimal explanations with guarantees on the informativeness and conciseness. We show the problem is in ?P^2 for established graph data constraints such as graph keys and graph association rules. We develop an efficient bidirectional algorithm to compute optimal explanations, without enforcing S on the entire graph. We also show our algorithm can be easily extended to support graph refinement within limited time, and to explain missing answers. Using real-world graphs, we experimentally verify the effectiveness and efficiency of our algorithms.

Data Analytics↗

DOE OSTI2021

Avoiding Excess Computation in Asynchronous Evolutionary Algorithms

Asynchronous evolutionary algorithms are becoming increasingly popular as a means of making full use of many processors while solving computationally expensive search and optimization problems. These algorithms excel at keeping large clusters fully utilized, but may sometimes inefficiently sample an excess of fast-evaluating solutions at the expense of higher-quality, slow-evaluating ones. We introduce a steady-state parent selection strategy, SWEET (“Selection whilE EvaluaTing”), that sometimes selects individuals that are still being evaluated and allows them to reproduce early. This gives slow-evaluating individuals that have higher fitnesses an increased ability to multiply in the population. We find that SWEET appears effective in simulated take-over time analysis, but that its benefit is confined mostly to early in the run, and our preliminary study on an autonomous vehicle controller problem that involves tuning a spiking neural network proves inconclusive.

Scott, Eric↗

DOE OSTI2023

Learning Many-Body Hamiltonians with Heisenberg-Limited Scaling

Learning a many-body Hamiltonian from its dynamics is a fundamental problem in physics. Here, in this Letter, we propose the first algorithm to achieve the Heisenberg limit for learning an interacting N-qubit local Hamiltonian. After a total evolution time of $\mathscr{O}$⁡(ε –1 ), the proposed algorithm can efficiently estimate any parameter in the N-qubit Hamiltonian to ε error with high probability. Our algorithm uses ideas from quantum simulation to decouple the unknown N-qubit Hamiltonian H into noninteracting patches and learns H using a quantum-enhanced divide-and-conquer approach. The proposed algorithm is robust against state preparation and measurement error, does not require eigenstates or thermal states, and only uses polylog⁡(ε –1 ) experiments. In contrast, the best existing algorithms require $\mathscr{O}$⁡⁡(ε –2 ) experiments and total evolution time. We prove a matching lower bound to establish the asymptotic optimality of our algorithm.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2023

Data Augmentation for Neutron Spectrum Unfolding with Neural Networks

Neural networks require a large quantity of training spectra and detector responses in order to learn to solve the inverse problem of neutron spectrum unfolding. In addition, due to the under-determined nature of unfolding, non-physical spectra which would not be encountered in usage should not be included in the training set. While physically realistic training spectra are commonly determined experimentally or generated through Monte Carlo simulation, this can become prohibitively expensive when considering the quantity of spectra needed to effectively train an unfolding network. In this paper, we present three algorithms for the generation of large quantities of realistic and physically motivated neutron energy spectra. Using an IAEA compendium of 251 spectra, we compare the unfolding performance of neural networks trained on spectra from these algorithms, when unfolding real-world spectra, to two baselines. We also investigate general methods for evaluating the performance of and optimizing feature engineering algorithms.

McGreivy, James (ORCID:0000000321723411)↗

NASA NTRS2012

Optimal Force Control of Vibro-Impact Systems for Autonomous Drilling Applications

The need to maintain optimal energy efficiency is critical during the drilling operations performed on future and current planetary rover missions (see figure). Specifically, this innovation seeks to solve the following problem. Given a spring-loaded percussive drill driven by a voice-coil motor, one needs to determine the optimal input voltage waveform (periodic function) and the optimal hammering period that minimizes the dissipated energy, while ensuring that the hammer-to-rock impacts are made with sufficient (user-defined) impact velocity (or impact energy). To solve this problem, it was first observed that when voice-coil-actuated percussive drills are driven at high power, it is of paramount importance to ensure that the electrical current of the device remains in phase with the velocity of the hammer. Otherwise, negative work is performed and the drill experiences a loss of performance (i.e., reduced impact energy) and an increase in Joule heating (i.e., reduction in energy efficiency). This observation has motivated many drilling products to incorporate the standard bang-bang control approach for driving their percussive drills. However, the bang-bang control approach is significantly less efficient than the optimal energy-efficient control approach solved herein. To obtain this solution, the standard tools of classical optimal control theory were applied. It is worth noting that these tools inherently require the solution of a two-point boundary value problem (TPBVP), i.e., a system of differential equations where half the equations have unknown boundary conditions. Typically, the TPBVP is impossible to solve analytically for high-dimensional dynamic systems. However, for the case of the spring-loaded vibro-impactor, this approach yields the exact optimal control solution as the sum of four analytic functions whose coefficients are determined using a simple, easy-to-implement algorithm. Once the optimal control waveform is determined, it can be used optimally in the context of both open-loop and closed-loop control modes (using standard realtime control hardware).

Aldrich, Jack B.↗

DOE OSTI2025

Enhancing Gaussian Process Surrogates for Optimization and Posterior Approximation via Random Exploration

This paper proposes novel noise-free Bayesian optimization strategies that rely on a random exploration step to enhance the accuracy of Gaussian process surrogate models. The new algorithms retain the ease of implementation of the classical GP-UCB algorithm, but the additional random exploration step accelerates their convergence, nearly achieving the optimal convergence rate. Furthermore, to facilitate Bayesian inference with intractable likelihoods, we propose to utilize optimization iterates for maximum a posteriori estimation to build a Gaussian process surrogate model for the unnormalized log-posterior density. We provide bounds for the Hellinger distance between the true and the approximate posterior distributions in terms of the number of design points. We demonstrate the effectiveness of our Bayesian optimization algorithms in nonconvex benchmark objective functions, in a machine learning hyperparameter tuning problem, and in a black-box engineering design problem. The effectiveness of our posterior approximation approach is demonstrated in two Bayesian inference problems for parameters of dynamical systems.

Bayesian inference↗

NASA NTRS2000

Analytical and Computational Aspects of Collaborative Optimization

Bilevel problem formulations have received considerable attention as an approach to multidisciplinary optimization in engineering. We examine the analytical and computational properties of one such approach, collaborative optimization. The resulting system-level optimization problems suffer from inherent computational difficulties due to the bilevel nature of the method. Most notably, it is impossible to characterize and hence identify solutions of the system-level problems because the standard first-order conditions for solutions of constrained optimization problems do not hold. The analytical features of the system-level problem make it difficult to apply conventional nonlinear programming algorithms. Simple examples illustrate the analysis and the algorithmic consequences for optimization methods. We conclude with additional observations on the practical implications of the analytical and computational properties of collaborative optimization.

Alexandrov, Natalia M.↗

NASA NTRS2016

MUlti-SpEctral, MUlti-SpEcies, MUlti-SatEllite (MUSES) Retrieval Algorithm: Towards Extending Multi-Decadal NASA EOS Atmospheric Composition Data Records

Multi-Spectra, Multi-Species, Multi-Sensors (MUSES): Builds off of heritage from the Tropospheric Emission Spectrometer (TES) optimal estimation (OE) algorithm to combine a priori and satellite data, including rigorous error analysis diagnostics and observation operators needed for trend analysis, climate model evaluation, and data assimilation; has generic design to incorporate forward model radiances from hyperspectral measurements from multiple sensors into the joint retrieval algorithm.

Fu, Dejian↗

NASA NTRS1989

Recursive multibody dynamics and discrete-time optimal control

A recursive algorithm is developed for the solution of the simulation dynamics problem for a chain of rigid bodies. Arbitrary joint constraints are permitted, that is, joints may allow translational and/or rotational degrees of freedom. The recursive procedure is shown to be identical to that encountered in a discrete-time optimal control problem. For each relevant quantity in the multibody dynamics problem, there exists an analog in the context of optimal control. The performance index that is minimized in the control problem is identified as Gibbs' function for the chain of bodies.

Deleuterio, G. M. T.↗

DOE OSTI2020

PyFLOSIC: Python-based Fermi–Löwdin orbital self-interaction correction

We present pyflosic, an open-source, general-purpose python implementation of the Fermi–Löwdin orbital self-interaction correction (FLO-SIC), which is based on the python simulation of chemistry framework (pyscf) electronic structure and quantum chemistry code. Thanks to pyscf, pyflosic can be used with any kind of Gaussian-type basis set, various kinds of radial and angular quadrature grids, and all exchange-correlation functionals within the local density approximation, generalized-gradient approximation (GGA), and meta-GGA provided in the libxc and xcfun libraries. A central aspect of FLO-SIC is the Fermi-orbital descriptors, which are used to estimate the self-interaction correction. Importantly, they can be initialized automatically within pyflosic; they can also be optimized within pyflosic with an interface to the atomic simulation environment, a python library that provides a variety of powerful gradient-based algorithms for geometry optimization. Although pyflosic has already facilitated applications of FLO-SIC to chemical studies, it offers an excellent starting point for further developments in FLO-SIC approaches, thanks to its use of a high-level programming language and pronounced modularity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Exploring thermal equilibria of the Fermi-Hubbard model with variational quantum algorithms

Here, this study investigates the thermal properties of the repulsive Fermi-Hubbard model with chemical potential using variational quantum algorithms, crucial in comprehending particle behaviour within lattices at heightened temperatures in condensed matter systems. Conventional computational methods encounter challenges, especially in managing chemical potential, prompting exploration into Hamiltonian approaches. Despite the promise of quantum algorithms, their efficacy is hampered by coherence limitations when simulating extended imaginary time evolution sequences. To overcome these constraints, this research focuses on optimizing variational quantum algorithms to probe the thermal properties of the Fermi-Hubbard model. Physics-inspired circuit designs are tailored to alleviate coherence constraints, facilitating a more comprehensive exploration of materials at elevated temperatures. Our study demonstrates the potential of variational algorithms in simulating the thermal properties of the Fermi-Hubbard model while acknowledging limitations stemming from error sources in quantum devices and encountering barren plateaus.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1988

Analytical study of the liquid phase transient behavior of a high temperature heat pipe

The transient operation of the liquid phase of a high temperature heat pipe is studied. The study was conducted in support of advanced heat pipe applications that require reliable transport of high temperature drops and significant distances under a broad spectrum of operating conditions. The heat pipe configuration studied consists of a sealed cylindrical enclosure containing a capillary wick structure and sodium working fluid. The wick is an annular flow channel configuration formed between the enclosure interior wall and a concentric cylindrical tube of fine pore screen. The study approach is analytical through the solution of the governing equations. The energy equation is solved over the pipe wall and liquid region using the finite difference Peaceman-Rachford alternating direction implicit numerical method. The continuity and momentum equations are solved over the liquid region by the integral method. The energy equation and liquid dynamics equation are tightly coupled due to the phase change process at the liquid-vapor interface. A kinetic theory model is used to define the phase change process in terms of the temperature jump between the liquid-vapor surface and the bulk vapor. Extensive auxiliary relations, including sodium properties as functions of temperature, are used to close the analytical system. The solution procedure is implemented in a FORTRAN algorithm with some optimization features to take advantage of the IBM System/370 Model 3090 vectorization facility. The code was intended for coupling to a vapor phase algorithm so that the entire heat pipe problem could be solved. As a test of code capabilities, the vapor phase was approximated in a simple manner.

Roche, Gregory Lawrence↗