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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 sources NASA NTRS DOE OSTI

DOE OSTI2018

Understanding Selection And Diversity For Evolution Of Spiking Recurrent Neural Networks

Evolutionary optimization or genetic algorithms have been used to optimize a variety of neural network types, including spiking recurrent neural networks, and are attractive for many reasons. However, a key impediment to their widespread use is the potential for slow training times and failure to converge to a good fitness value in a reasonable amount of time. In this work, we evaluate the effect of different selection algorithms on the performance of an evolutionary optimization method for designing spiking recurrent neural networks, including those that are meant to be deployed in a neuromorphic system. We propose a selection approach that utilizes a richer understanding of the fitness of an individual network to inform the selection process and to promote diversity in the population. We show that including this feature can provide a significant increase in performance over utilizing a standard selection approach.

Schuman, Catherine↗

NASA NTRS1993

Automatic A-set selection for dynamics analysis

A method for selecting optimum NASTRAN analysis set degrees of freedom for the dynamic eigenvalue problem is described. Theoretical development of the Guyan reduction procedure on which the method is based is first summarized. The algorithm used to select the analysis set degrees of freedom is then developed. Two example problems are provided to demonstrate the accuracy of the algorithm.

Allen, Tom↗

NASA NTRS1982

A concept for a fuel efficient flight planning aid for general aviation

A core equation for estimation of fuel burn from path profile data was developed. This equation was used as a necessary ingredient in a dynamic program to define a fuel efficient flight path. The resultant algorithm is oriented toward use by general aviation. The pilot provides a description of the desired ground track, standard aircraft parameters, and weather at selected waypoints. The algorithm then derives the fuel efficient altitudes and velocities at the waypoints.

Collins, B. P.↗

NASA NTRSDate not supplied

Linear Regression Model for Predictive Service Provider Selection

The increasing number of satellites in orbit has led to a growing reliance on third-party service providers for data transfer between Earth and space. Traditional approaches to managing satellite communications require human intervention, which becomes more burdensome with the escalating number of satellites. This research addresses the need for an efficient and automated system to optimize service provider selection for NASA space communication. Previous research has utilized human-operated approaches for service provider management. Our study fills a gap by developing a cognitive algorithm that automates and optimizes the selection process based on various parameters, such as data volume, priority, quality of service and cost. This novel solution reduces user burden, facilitates service management, and contributes to the development of cognitive spaceflight missions, ultimately supporting NASA’s research into Cognitive Communications technology. The algorithm design consists of three major steps: modeling data, developing a Link Selection Algorithm (LSA) based on a grading system, and applying machine learning using linear regression. The LSA evaluates providers based on user-defined constraints, considering factors such as delivery time, cost, and quality of service. We define a suitability metric which allows our algorithm to make a recommendation to a user regarding which commercial service providers to select. The addition of Linear Regression predicts the future suitability value. Our main findings demonstrate that the resulting algorithm can autonomously manage connections between satellites and providers, maximizing communication channel efficiency. This research has significant implications, as it not only addresses a pressing issue in satellite communication management but also advances the field of cognitive spaceflight missions.

Linear regression↗

NASA NTRS1982

Yet another method for triangulation and contouring for automated cartography

An algorithm is presented for hierarchical subdivision of a set of three-dimensional surface observations. The data structure used for obtaining the desired triangulation is also singularly appropriate for extracting contours. Some examples are presented, and the results obtained are compared with those given by Delaunay triangulation. The data points selected by the algorithm provide a better approximation to the desired surface than do randomly selected points.

De Floriani, L.↗

NASA NTRS2015

The Ocean Colour Climate Change Initiative: I. A Methodology for Assessing Atmospheric Correction Processors Based on In-Situ Measurements

The Ocean Colour Climate Change Initiative intends to provide a long-term time series of ocean colour data and investigate the detectable climate impact. A reliable and stable atmospheric correction procedure is the basis for ocean colour products of the necessary high quality. In order to guarantee an objective selection from a set of four atmospheric correction processors, the common validation strategy of comparisons between in-situ and satellite derived water leaving reflectance spectra, is extended by a ranking system. In principle, the statistical parameters such as root mean square error, bias, etc. and measures of goodness of fit, are transformed into relative scores, which evaluate the relationship of quality dependent on the algorithms under study. The sensitivity of these scores to the selected database has been assessed by a bootstrapping exercise, which allows identification of the uncertainty in the scoring results. Although the presented methodology is intended to be used in an algorithm selection process, this paper focusses on the scope of the methodology rather than the properties of the individual processors.

Climate Change↗

DOE OSTI2025

Using active learning to improve quasar identification for the DESI spectra processing pipeline

The Dark Energy Spectroscopic Instrument (DESI) survey uses an automatic spectral classification pipeline to classify spectra. QuasarNET is a convolutional neural network used as part of this pipeline originally trained using data from the Baryon Oscillation Spectroscopic Survey (BOSS). In this paper we implement an active learning algorithm to optimally select spectra to use for training a new version of the QuasarNET weights file using only DESI data, with the goal of improving classification accuracy. This active learning algorithm includes a novel outlier rejection step using a Self-Organizing Map to ensure we label spectra representative of the larger quasar sample observed in DESI. We perform two iterations of the active learning pipeline, assembling a final dataset of 5600 labeled spectra, a small subset of the approximately 1.3 million quasar targets in DESI's Data Release 1. When splitting the spectra into training and validation subsets we achieve similar performance to the previously trained weights file in completeness and purity calculated on the validation dataset but do so with less than one tenth of the amount of training data. The new weights also more consistently classify objects in the same way when used on unlabeled data compared to the old weights file. In the process of improving QuasarNET's classification accuracy we discovered a systemic error in QuasarNET's redshift estimation and used our findings to improve our understanding of QuasarNET's redshifts.

Machine learning↗

NASA NTRS1977

Spacecraft flight control with the new phase space control law and optimal linear jet select

An autopilot designed for rotation and translation control of a rigid spacecraft is described. The autopilot uses reaction control jets as control effectors and incorporates a six-dimensional phase space control law as well as a linear programming algorithm for jet selection. The interaction of the control law and jet selection was investigated and a recommended configuration proposed. By means of a simulation procedure the new autopilot was compared with an existing system and was found to be superior in terms of core memory, central processing unit time, firings, and propellant consumption. But it is thought that the cycle time required to perform the jet selection computations might render the new autopilot unsuitable for existing flight computer applications, without modifications. The new autopilot is capable of maintaining attitude control in the presence of a large number of jet failures.

Bergmann, E. V.↗

NASA NTRS1980

Investigation of the application of remote sensing technology to environmental monitoring

Activities and results are reported of a project to investigate the application of remote sensing technology developed for the LACIE, AgRISTARS, Forestry and other NASA remote sensing projects for the environmental monitoring of strip mining, industrial pollution, and acid rain. Following a remote sensing workshop for EPA personnel, the EOD clustering algorithm CLASSY was selected for evaluation by EPA as a possible candidate technology. LANDSAT data acquired for a North Dakota test sight was clustered in order to compare CLASSY with other algorithms.

Rader, M. L.↗

DOE OSTI2025

High-Throughput Discovery Illuminates Design Principles and Limits for Long-Lived Charged Species in Organic Electrolytes

The chemical stability of charged molecules in all-organic redox flow batteries (RFBs) is required for the prolonged operation of these devices. Molecular engineering and electrolyte optimization are used to mitigate parasitic reactions and extend the lifetimes of the charge carriers. However, how much can structural variation extend the lifetime? To probe this query, we designed a high-throughput kinetic study of the radical cation of N-methylphenothiazinium, guided by statistical sampling and learning algorithms. Using Argonne’s autonomous discovery facility, we conducted over 6,000 kinetic experiments with robotic sample preparation, parallel kinetic measurements, and machine learning inputs, testing 188 solvent molecules selected from a space of over 540 candidates from 11 chemical classes. Algorithmic selections guided us to stable solvent candidates, which were further tested in high concentration with and without supporting electrolyte. Our findings reveal the inherent difficulty of exceeding the current state of the art through solvent variation. The desired stability is statistically rare and poorly predictable. Among the many tested, only three solvents significantly outperformed our baseline, acetonitrile─and none by more than a factor of 3─suggesting a general challenge in achieving the necessary techno-economic targets. Furthermore, we suggest that self-discharge through solvent homolysis is the cause of the observed limitations. Several structural motifs contribute to >1,000 h half-life stability including molecular simplicity, symmetry, oxidation complement, and strategic fluorination. Importantly, this workflow establishes effective assays for diagnosing and predicting oxidative stress for highly stable liquid electrolytes in all batteries.

Batteries↗

DOE OSTI2022

Component-wise reduced-order model design optimization such as for lattice design optimization

Systems and methods for optimizing a lattice structure design are disclosed herein. In some embodiments, a method for optimizing a lattice structure design can include (i) modeling the lattice structure with a component-wise reduced-order model (CWROM) and (ii) optimizing the CWROM based on a selected criterion using a topology optimization algorithm for lattice design. The selected criterion can include a boundary condition and a load applied to the lattice structure. By modeling the lattice structure as a CWROM, the optimization process can be very fast while still permitting the accurate computation of physical quantities of the lattice structure.

Choi, Youngsoo↗

NASA NTRS1991

An algorithm to design a multiple-channel communications system

The authors present a novel algorithm to design a phase-modulated residual carrier communications system for optimum performance. The algorithm has been developed as an aid in the design of two telemetry data channels operating simultaneously with a turn-around ranging signal. The algorithm provides the selection of an optimum subcarrier frequency and modulation indices for minimizing the mutual interferences among the channels to achieve desired link performance margins. The set of modulation indices provided by this algorithm will also achieve an optimum power division between the carrier, the ranging and the high data rate and low data rate channels. Finally, a software program using this algorithm has been developed for use with personal computers. This program provides the computation of the optimum subcarrier frequencies and modulation indices for a standard case that is recommended by the international Consultative Committee for Space Data Systems.

Nguyen, Tien M.↗

NASA NTRS1995

Adaptive Finite Element Methods for Continuum Damage Modeling

The paper presents an application of adaptive finite element methods to the modeling of low-cycle continuum damage and life prediction of high-temperature components. The major objective is to provide automated and accurate modeling of damaged zones through adaptive mesh refinement and adaptive time-stepping methods. The damage modeling methodology is implemented in an usual way by embedding damage evolution in the transient nonlinear solution of elasto-viscoplastic deformation problems. This nonlinear boundary-value problem is discretized by adaptive finite element methods. The automated h-adaptive mesh refinements are driven by error indicators, based on selected principal variables in the problem (stresses, non-elastic strains, damage, etc.). In the time domain, adaptive time-stepping is used, combined with a predictor-corrector time marching algorithm. The time selection is controlled by required time accuracy. In order to take into account strong temperature dependency of material parameters, the nonlinear structural solution a coupled with thermal analyses (one-way coupling). Several test examples illustrate the importance and benefits of adaptive mesh refinements in accurate prediction of damage levels and failure time.

Min, J. B.↗

DOE OSTI2025

Surrogate-Based Autotuning for Randomized Sketching Algorithms in Regression Problems

Algorithms from Randomized Numerical Linear Algebra (RandNLA) are known to be effective in handling high-dimensional computational problems, providing high-quality empirical performance as well as strong probabilistic guarantees. However, their practical application is complicated by the fact that the user needs to set various algorithm-specific tuning parameters which are different from those used in traditional NLA. This paper demonstrates how a surrogate-based autotuning approach can be used to address fundamental problems of parameter selection in RandNLA algorithms. In particular, we provide a detailed investigation of surrogate-based autotuning for sketch-and-precondition (SAP)-based randomized least squares methods, which have been one of the great success stories in modern RandNLA. Empirical results show that our surrogate-based autotuning approach can achieve near-optimal performance with much less tuning cost than a random search (up to about 7.6x fewer trials of different parameter configurations). Moreover, while our experiments focus on least squares, our results demonstrate a general-purpose autotuning pipeline applicable to any kind of RandNLA algorithm.

Cho, Younghyun↗

DOE OSTI2024

Comparing Sensor Fusion and Multimodal Chemometric Models for Monitoring U(VI) in Complex Environments Representative of Irradiated Nuclear Fuel

Optical sensors and chemometric models were leveraged for the quantification of uranium(VI) (0–100 μg mL –1 ), europium (0–150 μg mL –1 ), samarium (0–250 μg mL –1 ), praseodymium (0–350 μg mL –1 ), neodymium (0–1000 μg mL –1 ), and HNO 3 (2–4 M) with varying corrosion product (iron, nickel, and chromium) levels using laser fluorescence, Raman scattering, and ultraviolet–visible–near-infrared absorption spectra. In this paper, an efficient approach to developing and evaluating tens of thousands of partial least-squares regression (PLSR) models, built from fused optical spectra or multimodal acquisitions, is discussed. Each PLSR model was optimized with unique preprocessing combinations, and features were selected using genetic algorithm filters. The 7-factor D-optimal design training set contained just 55 samples to minimize the number of samples. The performance of PLSR models was evaluated by using an automated latent variable selection script. PLS1 regression models tailored to each species outperformed a global PLS2 model. PLS1 models built using fused spectra data and a multimodal (i.e., analyzed separately) approach yielded similar information, resulting in percent root-mean-square error of prediction values of 0.9–5.7% for the seven factors. Further, the optical techniques and data processing strategies established in this study allow for the direct analysis of numerous species without measuring luminescence lifetimes or relying on a standard addition approach, making it optimal for near-real-time, in situ measurements. Nuclear reactor modeling helped bound training set conditions and identified elemental ratios of lanthanide fission products to characterize the burnup of irradiated nuclear fuel. Leveraging fluorescence, spectrophotometry, experimental design, and chemometrics can enable the remote quantification and characterization of complex systems with numerous species, monitor system performance, help identify the source of materials, and enable rapid high-throughput experiments in a variety of industrial processes and fundamental studies.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2018

A case study evaluating the portability of an executable computable phenotype algorithm across multiple institutions and electronic health record environments

Abstract Electronic health record (EHR) algorithms for defining patient cohorts are commonly shared as free-text descriptions that require human intervention both to interpret and implement. We developed the Phenotype Execution and Modeling Architecture (PhEMA, http://projectphema.org) to author and execute standardized computable phenotype algorithms. With PhEMA, we converted an algorithm for benign prostatic hyperplasia, developed for the electronic Medical Records and Genomics network (eMERGE), into a standards-based computable format. Eight sites (7 within eMERGE) received the computable algorithm, and 6 successfully executed it against local data warehouses and/or i2b2 instances. Blinded random chart review of cases selected by the computable algorithm shows PPV ≥90%, and 3 out of 5 sites had >90% overlap of selected cases when comparing the computable algorithm to their original eMERGE implementation. This case study demonstrates potential use of PhEMA computable representations to automate phenotyping across different EHR systems, but also highlights some ongoing challenges.

Pacheco, Jennifer A.↗

DOE OSTI2019

Influence of pseudopotentials on excitation energies from selected configuration interaction and diffusion Monte Carlo

Due to their diverse nature, the faithful description of excited states within electronic structure theory methods remains one of the grand challenges of modern theoretical chemistry. Quantum Monte Carlo (QMC) methods have been applied very successfully to ground state properties but still remain generally less effective than other non-stochastic methods for electronically excited states. Nonetheless, we have recently reported accurate excitation energies for small organic molecules at the fixed-node diffusion Monte Carlo (FN-DMC) within a Jastrow-free QMC protocol relying on a deterministic and systematic construction of nodal surfaces using the selected configuration interaction (sCI) algorithm known as CIPSI (Configuration Interaction using a Perturbative Selection made Iteratively). Albeit highly accurate, these all-electron calculations are computationally expensive due to the presence of core electrons. One very popular approach to remove these chemically-inert electrons from the QMC simulation is to introduce pseudopotentials (also known as effective core potentials). Taking the water molecule as an example, we investigate the influence of Burkatzki-Filippi-Dolg (BFD) pseudopotentials and their associated basis sets on vertical excitation energies obtained with sCI and FN-DMC methods. Although these pseudopotentials are known to be relatively safe for ground state properties, we evidence that special care may be required if one strives for highly accurate vertical transition energies. Indeed, comparing all-electron and valence-only calculations, we show that using pseudopotentials with the associated basis sets can induce differences of the order of 0.05 eV on the excitation energies. Fortunately, a reasonable estimate of this shift can be estimated at the sCI level.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

A Scalable PDC Placement Technique for Fast and Resilient Monitoring of Large Power Grids

The wide-area measurement system (WAMS) is a key enabler of real-time monitoring of power grids. The essential goals of WAMS design are fast and resilient data transfer from phasor measurement units (PMU) to phasor data concentrators (PDC). We propose a scalable two-stage PDC placement technique for minimizing the end-to-end delay while maintaining resiliency. In the prescreening stage, the plausible candidates of PDC configurations are identified based on a graph theory-based multi-median function (MMF). Here, in this article, a computationally efficient meta-heuristic algorithm is used to address scalability. In the candidate selection stage, two different algorithms, namely, Suurballe's and Dijkstra's, are employed to identify the best of those plausible PDC configurations as the final design. This technique not only minimizes the hop paths between PMUs and PDCs, but also ensures network resiliency against single PMU, PDC, or communication link failure by incorporating the roles of PMUs in power grid observability into routing policy. Simulation results on the IEEE 57-bus test power system and the 2000-bus test power system demonstrate the effectiveness and scalability of the proposed technique.

24 POWER TRANSMISSION AND DISTRIBUTION↗