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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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Identification of hot water end-use process of electric water heaters from energy measurements

This paper presents an algorithm for the identification of parameters for a stochastic hot water end-use process that drives a homogeneous population of thermostatically controlled electric water heaters (EWH). Usually, only metered interval consumption data (kWh) is collected and the hot water end-use process is unobservable to utility and aggregators. However, the availability of EWHs for demand response (DR) is closely coupled with the hot water end-use process. In this context, the hot water end-use process is modeled as a two-state Markov chain (Use / No use), which causes the thermostatic ON-OFF switching process to behave as a Markov renewal process (MRP). A set of first passage-time problems is developed to obtain the moments of the transition probability densities of the MRP. These problems are addressed by establishing a system of coupled partial differential equations characterizing the temperature evolution of the EWH population. A key quantity in the methodology for estimating the parameters is the total time an EWH is ON within a period of interest. It is referred to as the total busy time. Total busy time in this approach is a random variable for which analytical expressions of the moments are developed as a function of the metered window length. The latter expressions become the basis of a hot water demand model identification algorithm which is validated using agent-based simulations of EWHs.

42 ENGINEERING↗
DOE OSTI2024

Automated annotation of scientific texts for ML-based keyphrase extraction and validation

Advanced omics technologies and facilities generate a wealth of valuable data daily; however, the data often lack the essential metadata required for researchers to find, curate, and search them effectively. The lack of metadata poses a significant challenge in the utilization of these data sets. Machine learning (ML)–based metadata extraction techniques have emerged as a potentially viable approach to automatically annotating scientific data sets with the metadata necessary for enabling effective search. Text labeling, usually performed manually, plays a crucial role in validating machine-extracted metadata. However, manual labeling is time-consuming and not always feasible; thus, there is a need to develop automated text labeling techniques in order to accelerate the process of scientific innovation. This need is particularly urgent in fields such as environmental genomics and microbiome science, which have historically received less attention in terms of metadata curation and creation of gold-standard text mining data sets. In this paper, we present two novel automated text labeling approaches for the validation of ML-generated metadata for unlabeled texts, with specific applications in environmental genomics. Our techniques show the potential of two new ways to leverage existing information that is only available for select documents within a corpus to validate ML models, which can then be used to describe the remaining documents in the corpus. The first technique exploits relationships between different types of data sources related to the same research study, such as publications and proposals. The second technique takes advantage of domain-specific controlled vocabularies or ontologies. In this paper, we detail applying these approaches in the context of environmental genomics research for ML-generated metadata validation. Our results show that the proposed label assignment approaches can generate both generic and highly specific text labels for the unlabeled texts, with up to 44% of the labels matching with those suggested by a ML keyword extraction algorithm.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2024

Benchmarking Optimizers for Qumode State Preparation with Variational Quantum Algorithms

Quantum state preparation involves preparing a target state from an initial system, a process integral to applications such as quantum machine learning and solving systems of linear equations. Recently, there has been a growing interest in qumodes due to advancements in the field and their potential applications. However there is a notable gap in the literature specifically addressing this area. This paper aims to bridge this gap by providing performance benchmarks of various optimizers used in state preparation with Variational Quantum Algorithms. We conducted extensive testing across multiple scenarios, including different target states, both ideal and sampling simulations, and varying numbers of basis gate layers. Our evaluations offer insights into the complexity of learning each type of target state and demonstrate that some optimizers perform better than others in this context. Notably, the Powell optimizer was found to be exceptionally robust against sampling errors, making it a preferred choice in scenarios prone to such inaccuracies. Additionally, the Simultaneous Perturbation Stochastic Approximation optimizer was distinguished for its efficiency and ability to handle increased parameter dimensionality effectively.

Kan, Shuwen [Fordham University]↗
NASA NTRS1992

An analytic model for footprint dispersions and its application to mission design

This is the final report on our recent research activities that are complementary to those conducted by our colleagues, Professor Farrokh Mistree and students, in the context of the Taguchi method. We have studied the mathematical model that forms the basis of the Simulation and Optimization of Rocket Trajectories (SORT) program and developed an analytic method for determining mission reliability with a reduced number of flight simulations. This method can be incorporated in a design algorithm to mathematically optimize different performance measures of a mission, thus leading to a robust and easy-to-use methodology for mission planning and design.

Rao, J. R. Jagannatha↗
NASA NTRS2008

On-Orbit Multi-Field Wavefront Control with a Kalman Filter

A document describes a multi-field wavefront control (WFC) procedure for the James Webb Space Telescope (JWST) on-orbit optical telescope element (OTE) fine-phasing using wavefront measurements at the NIRCam pupil. The control is applied to JWST primary mirror (PM) segments and secondary mirror (SM) simultaneously with a carefully selected ordering. Through computer simulations, the multi-field WFC procedure shows that it can reduce the initial system wavefront error (WFE), as caused by random initial system misalignments within the JWST fine-phasing error budget, from a few dozen micrometers to below 50 nm across the entire NIRCam Field of View, and the WFC procedure is also computationally stable as the Monte-Carlo simulations indicate. With the incorporation of a Kalman Filter (KF) as an optical state estimator into the WFC process, the robustness of the JWST OTE alignment process can be further improved. In the presence of some large optical misalignments, the Kalman state estimator can provide a reasonable estimate of the optical state, especially for those degrees of freedom that have a significant impact on the system WFE. The state estimate allows for a few corrections to the optical state to push the system towards its nominal state, and the result is that a large part of the WFE can be eliminated in this step. When the multi-field WFC procedure is applied after Kalman state estimate and correction, the stability of fine-phasing control is much more certain. Kalman Filter has been successfully applied to diverse applications as a robust and optimal state estimator. In the context of space-based optical system alignment based on wavefront measurements, a KF state estimator can combine all available wavefront measurements, past and present, as well as measurement and actuation error statistics to generate a Maximum-Likelihood optimal state estimator. The strength and flexibility of the KF algorithm make it attractive for use in real-time optical system alignment when WFC alone cannot effectively align the system.

Lou, John↗
DOE OSTI2021

A Robust Approach to Sequential Information Theoretic Planning

In many sequential planning applications a natural approach to generating high quality plans is to maximize an information reward such as mutual information (MI). Unfortunately, MI lacks a closed form in all but trivial models, and so must be estimated. In applications where the cost of plan execution is expensive, one desires planning estimates which admit theoretical guarantees. Through the use of robust M-estimators we obtain bounds on absolute deviation of estimated MI. Moreover, we propose a sequential algorithm which integrates inference and planning by maximally reusing particles in each stage. We validate the utility of using robust estimators in the sequential approach on a Gaussian Markov Random Field wherein information measures have a closed form. Lastly, we demonstrate the benefits of our integrated approach in the context of sequential experiment design for inferring causal regulatory networks from gene expression levels. Here, our method shows improvements over a recent method which selects intervention experiments based on the same MI objective.

Zheng, Sue↗
DOE OSTI2022

Diffusion Monte Carlo approaches for studying nuclear quantum effects in fluxional molecules

Abstract Diffusion quantum Monte Carlo (DMC) provides a powerful approach for obtaining the ground state energy and wave function of molecules, ions, and molecular clusters. The approach is uniquely well suited for studies of fluxional molecules, which undergo large amplitude vibrational motions even in their ground state. In contrast to the electronic structure problem, where the wave function must be antisymmetric with respect to exchange of any pair of electrons, the wave function for the ground vibrational state is nodeless. This greatly simplifies the application of DMC for vibrational problems. Because there is not a single potential function that can be used to describe the intramolecular and intermolecular interactions in all molecular systems, most methods that are used to describe nuclear quantum effects rely on a carefully chosen zero‐order description of the molecular vibrations. In contrast, DMC calculations can be performed in Cartesian coordinates, making the DMC algorithm easily transferable between different chemical systems. In this contribution, the theory that underlies DMC will be discussed along with important considerations for performing DMC calculations. Extensions for evaluating vibrationally excited states and molecular properties are also discussed. Insights that can be obtained from DMC calculations are illustrated in the context of the protonated water clusters. This article is categorized under: Molecular and Statistical Mechanics > Molecular Dynamics and Monte‐Carlo Methods Theoretical and Physical Chemistry > Spectroscopy

Chemistry↗
DOE OSTI2024

Summertime Continental Shallow Cumulus Cloud Detection Using GOES‐16 Satellite and Ground‐Based Ceilometer at North Alabama

Abstract Accurate simulations of boundary layer cloud processes remain challenging in Earth system modeling. Observations are essential to evaluate and improve models of such processes. This study introduces a comprehensive validation framework for a satellite‐based detection algorithm of continental shallow cumulus (ShCu) clouds during the daytime, which was initially developed using ground‐based observations of stereo cameras at the Department of Energy Atmospheric Radiation Measurement (ARM) Southern Great Plains site (J. Tian et al., 2021, https://doi.org/10.3390/rs13122309 , 2022, https://doi.org/10.1029/2021gl097070 ). To validate this algorithm, the framework employs ground‐based ceilometer measurements from North Alabama (NA) where ShCu populations are prevalent. This study first generates clear‐sky surface reflectance maps at NA and identifies ShCu pixels with a detection threshold using Geostationary Operational Environmental Satellite (GOES) reflectance data. The obtained cloud fractions (CFs) are then compared against CFs from a ground‐based ceilometer, considering factors such as observed area differences, satellite parallax issue, and systematic biases. We found that with a detection threshold (∆R) of 0.05, the ShCu detection algorithm is effective for NA, enabling the reproduction of hourly ShCu CFs using GOES. Our framework is straightforward and easily repeatable to evaluate the effectiveness of a ∆R threshold for detecting ShCu clouds in various geographic regions where ceilometers are deployed. This satellite detection of ShCu provides a crucial regional context for ground‐based measurements, facilitating the tracking of convection initiation and its coupling with land surface conditions. Integrating localized ground‐based and regional satellite data will enhance our ability to conduct thorough studies of cloud morphology and land‐atmosphere interactions in North Alabama.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Toward autonomous design and synthesis of novel inorganic materials

Autonomous experimentation driven by artificial intelligence (AI) provides an exciting opportunity to revolutionize inorganic materials discovery and development. Herein, we review recent progress in the design of self-driving laboratories, including robotics to automate materials synthesis and characterization, in conjunction with AI to interpret experimental outcomes and propose new experimental procedures. We focus on efforts to automate inorganic synthesis through solution-based routes, solid-state reactions, and thin film deposition. In each case, connections are made to relevant work in organic chemistry, where automation is more common. Characterization techniques are primarily discussed in the context of phase identification, as this task is critical to understand what products have formed during synthesis. The application of deep learning to analyze multivariate characterization data and perform phase identification is examined. To achieve “closed-loop” materials synthesis and design, we further provide a detailed overview of optimization algorithms that use active learning to rationally guide experimental iterations. Lastly, we highlight several key opportunities and challenges for the future development of self-driving inorganic materials synthesis platforms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

A Survey of Singular Value Decomposition Methods for Distributed Tall/Skinny Data

The Singular Value Decomposition (SVD) is one of the most important matrix factorizations, enjoying a wide variety of applications across numerous application domains. In statistics and data analysis, the common applications of SVD inclue Principal Components Analysis (PCA) and regression. Usually these applications arise on data that has far more rows than columns, so-called "tall/skinny" matrices. In the big data analytics context, this may take the form of hundreds of millions to billions of rows with only a few hundred columns. There is a need, therefore, for fast, accurate, and scalable tall/skinny SVD implementations which can fully utilize modern computing resources. To that end, we present a survey of three different algorithms for computing the SVD for these kinds of tall/skinny data layouts using MPI for communication. We contextualize these with common big data analytics techniques. Finally, we present both CPU and GPU timing results from the Summit supercomputer, and discuss possible alternative approaches.

Schmidt, Drew↗
DOE OSTI2024

Rapid Optimization of Total Variation with Applications in Imaging, Additive Manufacturing, and Qualification

Total Variation optimization penalizes the gradient of a control variable or state. While this work focuses on image processing in particular, it has also found applications in inverse problems and topology optimization. In image processing, the goal is to maintain faithfulness to the original image while denoising and/or deblurring. Additionally, bilevel optimization over the spatially varying regularization weights can illuminate interfaces such as damage regions and other anomalies. We will address two fundamental challenges with TV-optimization: (i) the typical slow convergence of existing TV-optimization methods, and (ii) the selection of spatially varying TV parameters to promote interface detection. Additionally, we will apply such techniques to image data collected in additive manufacturing. In said context, stochasticity in build events induces flaws in the manufactured piece, compromising the integrity of said part. There is a critical need for in-situ monitoring to spot anomalies once they form, and in this setting we apply our total variation and hyperparameter solvers. We will develop a customized algorithm based on for extreme-scale TV-optimization that achieves super-linear or quadratic-convergence, a critical property for real-time, image-by-image analysis. A worst-case outcome is a preprocessing step that enhances image quality in-situ, specifically for out-of-focus and noisy images.

36 MATERIALS SCIENCE↗
NASA NTRS1989

NASA/MSFC FY88 Global Scale Atmospheric Processes Research Program Review

Interest in environmental issues and the magnitude of the environmental changes continues. One way to gain more understanding of the atmosphere is to make measurements on a global scale from space. The Earth Observation System is a series of new sensors to measure globally atmospheric parameters. Analysis of satellite data by developing algorithms to interpret the radiance information improves the understanding and also defines requirements for these sensors. One measure of knowledge of the atmosphere lies in the ability to predict its behavior. Use of numerical and experimental models provides a better understanding of these processes. These efforts are described in the context of satellite data analysis and fundamental studies of atmospheric dynamics which examine selected processes important to the global circulation.

Wilson, Greg S.↗
NASA NTRSDate not supplied

NASA/GEWEX SRB Surface Radiation Budget Fluxes Through the Prism of Weather States

The NASA/GEWEX Surface Radiation Budget Version 4 (SRB Rel4) product is now publicly available, covering the period from July 1983 through June 2017. This supersedes the SRB Rel3 (Stackhouse et al., 2011) product which has been used in the community for a wide variety of applications, including climate model validation, agriculture, solar energy, and architecture. SRB Rel4 uses the newly recalibrated and processed ISCCP HXS product as its primary input for cloud and radiance data, replacing ISCCP DX with a ninefold increase in pixel count (10km instead of 30km). This version retains a 1°x1° resolution but benefits from a much larger number of samples per grid box than the SRB Rel3. ISCCP also provides an atmospheric temperature and moisture dataset known as nnHIRS which we use here, along with Seaflux and Landflux surface and near-surface meteorological parameters. Rel4 incorporates several important algorithm improvements. These include recalculated shortwave (SW) atmospheric transmissivities and reflectivities yielding a somewhat less transmissive atmosphere. Both shortwave and longwave (LW) now also include variable aerosol composition and radiative properties, allowing for the use of a detailed aerosol history from the Max Planck Institute Aerosol Climatology (MACv1). LW and SW algorithms now produce pristine sky fluxes, allowing the aerosol flux effects to be quantified. For SW, ocean albedo and snow/ice albedo are improved from Release 3. Total solar irradiance is now variable, and reduced to an average of 1361 Wm-2. The radiative treatment of ice cloud is improved. For the LW, a climatological monthly varying spectral surface emissivity is added. Here we evaluate the SRB Rel4 top of atmosphere (TOA) and surface fluxes in the context of weather states and oceanic regions. Weather states (Tselioudis et al., 2013, Tselioudis et al., 2021) are defined by K-means clustering 2-D histograms of satellite-retrieved cloud optical depths and cloud top pressures. The most recent (Tselioudis et al., 2021) weather states derived from the International Satellite Cloud Climatology Project (ISCCP) H-series data results in eight cloud weather states and one clear sky weather state, for a total of nine weather states. We examine the statistics of SRB Rel4 fluxes for each weather state and a variety of relevant land and ocean regions. We compare to similar analyses performed on CERES EBAF and SYN1Deg flux products, and validate against Baseline Surface Radiometer Network (BSRN) land stations and Pacific Marine Environmental Laboratory (PMEL) ocean buoy data. It is demonstrated that the weather state concept is valuable when examining the comparative strengths and weaknesses of satellite radiative flux algorithms.

Atmospheric Radiation↗
DOE OSTI2026

Discrete Superconvergence Analysis for Quantum Magnus Algorithms of Unbounded Hamiltonian Simulation

Motivated by various applications, unbounded Hamiltonian simulation has recently garnered great attention. Quantum Magnus algorithms, designed to achieve commutator scaling for time-dependent Hamiltonian simulation, have been found to be particularly efficient for such applications. When applied to unbounded Hamiltonian simulation in the interaction picture, they exhibit an unexpected superconvergence phenomenon. However, existing proofs are limited to the spatially continuous setting and do not extend to discrete spatial discretizations. Here, in this work, we provide the first superconvergence estimate in the fully discrete setting with a finite number of spatial discretization points N, and show that it holds with an error constant uniform in N. The proof is based on the two-parameter symbol class, which, to our knowledge, is applied for the first time in algorithm analysis. The key idea is to establish a semiclassical framework by identifying two parameters through the discretization number and the time step size rescaled by the operator norm, such that the semiclassical uniformity guarantees the uniformity of both. This approach may have broader applications in numerical analysis beyond the specific context of this work.

Borns-Weil, Yonah [University of California, Berke↗
NASA NTRS2018

Rapid Trajectory Prediction for a Fixed-Wing UAS in a Uniform Wind Field with Specified Arrival Times

This paper presents an algorithm to rapidly generate trajectories for a kinematic fixed-wing Unmanned Aircraft System (UAS) model flying at constant altitude in a uniform wind field. Arrival times are specified by operators and rapid generation is accomplished via an elliptic integral problem formulation. Simulations are provided that illustrate this approach in the context of NASA's UAS Traffic Management Project.

trajectory↗
DOE OSTI2022

Conformal bootstrap deformations

We explore the space of extremal functionals in the conformal bootstrap. By recasting the bootstrap problem as a set of non-linear equations parameterized by the CFT data, we find an efficient algorithm for converging to the extremal solution corresponding to the boundary of allowed regions in the parameter space of CFTs. Furthermore, by deforming these solutions, we demonstrate that certain solutions corresponding to known theories are continuously connected. Employing these methods, we will explore the space of non-unitary CFTs in the context of modular as well as correlation function bootstrap. In two dimensions, we show that the extremal solution corresponding to the Ising model is connected to that of the Yang-Lee minimal model. By deforming this solution to three dimensions, we provide evidence that the CFT data obtained in this way is compatible with the E-expansion for a non-unitary theory

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2010

Photometric Analysis in the Kepler Science Operations Center Pipeline

We describe the Photometric Analysis (PA) software component and its context in the Kepler Science Operations Center (SOC) pipeline. The primary tasks of this module are to compute the photometric flux and photocenters (centroids) for over 160,000 long cadence (~thirty minute) and 512 short cadence (~one minute) stellar targets from the calibrated pixels in their respective apertures. We discuss the science algorithms for long and short cadence PA: cosmic ray cleaning; background estimation and removal; aperture photometry; and flux-weighted centroiding. We discuss the end-to-end propagation of uncertainties for the science algorithms. Finally, we present examples of photometric apertures, raw flux light curves, and centroid time series from Kepler flight data. PA light curves, centroid time series, and barycentric timestamp corrections are exported to the Multi-mission Archive at Space Telescope [Science Institute] (MAST) and are made available to the general public in accordance with the NASA/Kepler data release policy.

Twicken, Joseph D.↗
DOE OSTI2021

Progress on Optimizing Wind Farms and Rotor Designs Using Adjoints

Modern wind plants are increasingly tasked with multiple performance objectives. In addition to designing plants that maximize power output and minimize the levelized cost of energy (LCOE), the design and operation of wind plants is increasingly influenced by challenges regarding grid integration of variable generation renewables. This places a growing emphasis on making wind plants more controllable and predictable. WindSE is a Reynolds-averaged Navier-Stokes (RANS) model designed around analytical gradient and adjoint methods, with the ability to capture terrain-induced effects, as shown in Figure 1. The recent addition of an unsteady solver with an actuator line method (ALM) and ongoing work to enable massively parallel optimizations gives it a unique niche to explore coupled plant-level controls and design problems. This code is an open source python package built on the FEniCS framework that utilizes fast, parallel PETSc solvers to model fluid flow throughout wind-farm scale domains. Two recent studies performed using WindSE demonstrate the capability to optimize under a wide variety of flow conditions and objective functions. In the first, we present an optimization focused on modifying the layout of a wind farm with a fixed number of turbines for maximum total power output [1]. This study highlights the ability to quickly perform simulations using the steady Navier-Stokes solver combined with rotors represented as actuator disks while also stressing the importance of capturing terrain-induced effects. Gradient-based optimization using the RANS equations is viable due to the inclusion of efficiently computed adjoint derivatives. We interpret the physical results of the optimal layout and also discuss the computational cost of scaling to larger problems. In the second study, we present the capabilities of the unsteady Navier-Stokes solver, where rotor-blade profiles represented by actuator lines are optimized to enhance wake steering effects and overall power production [2]. We quantify the wind plant performance gains obtained from this type of simultaneous control co-design optimization as compared to optimizing the blade design and yaw independently. Figure 2 shows the differences between a baseline two-turbine system and an optimized system where we fine-tune the blade chord profile. Results and challenges from each study are quickly summarized and used to motivate the current development efforts within WindSE. Current and future work is focused on enabling higher-resolution studies with more degrees of freedom through parallelization of both the simulation and optimization algorithms. We present benchmarking results to show that WindSE performs well in both weak- and strong-scaling tests and further demonstrate that the optimizer obtains the same convergence rates in both shared- and distributed-memory environments. Using larger wind farms, we can study deep-array effects within an optimization context, allowing the use of objective functions that have been previously unstudied. As an example, we present ongoing work on a blockage metric which characterizes the loss of available kinetic energy due to wake effects from multiple upstream turbines.

adjoint optimization↗