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At least 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Towards robust autonomous impedance spectroscopy analysis: A calibrated hierarchical Bayesian approach for electrochemical impedance spectroscopy (EIS) inversion

Distribution-based analyses, such as the distribution of relaxation times (DRT) and the distribution of diffusion times (DDT), present model-free alternatives to equivalent circuit modeling for analysis of electrochemical impedance spectroscopy (EIS) data. However, reconstructing such distributions from noisy impedance data is an ill-posed problem that must be solved with specialized inversion algorithms, requiring careful control and tuning. Furthermore, most inversion algorithms developed to date can only solve problems of limited complexity. Herein, we present a new hierarchical Bayesian method for EIS inversion, leveraging efficient algorithms for optimization and Hamiltonian Monte Carlo (HMC) sampling to solve models of arbitrary complexity. We overcome the challenge of ad-hoc parameter tuning by encoding intrinsic characteristics of the DRT and DDT into flexible prior distributions and “pre-calibrating” the model to simulated data. This approach is versatile, highly robust to noise, and provides quantitative estimates of both the error structure of the data and the uncertainty in the recovered distributions. The model is validated with simulated data to demonstrate accurate recovery of the DRT and the DDT. The method also shows promise for simultaneous recovery of multiple distributions, raising the intriguing possibility of semi-autonomous EIS analysis and ad-hoc model construction. Finally, the practical utility of the method is illustrated with experimental data. Throughout, we draw comparisons to several recently published EIS inversion methodologies.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Quantum Spectral Methods for Differential Equations

Recently developed quantum algorithms address computational challenges in numerical analysis by performing linear algebra in Hilbert space. Such algorithms can produce a quantum state proportional to the solution of a d-dimensional system of linear equations or linear differential equations with complexity poly(logd). While several of these algorithms approximate the solution to within ϵ with complexity poly(log(1/ϵ)), no such algorithm was previously known for differential equations with time-dependent coefficients. In this work, we develop a quantum algorithm for linear ordinary differential equations based on so-called spectral methods, an alternative to finite difference methods that approximates the solution globally. Using this approach, we give a quantum algorithm for time-dependent initial and boundary value problems with complexity poly(logd, log(1/ϵ)).

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Efficient graph representation framework for chemical molecule similarity tasks

Graph data has emerged in numerous scientific domains and machine learning techniques have been widely used for analysis and learning of diverse data for prediction and decision. Machine learning techniques can readily address complex problems by leveraging their structural information. But graphs cannot be directly used for existing machine learning algorithms unless encoded as vectors. The problem of efficient representation of graphs is a substantial challenge in graph machine learning. In this paper, we propose a novel two-stage framework for the representation of chemical molecule graphs based on the strengths of Graph Isomorphism Networks (GINs) and Siamese autoencoders. In the first stage, the GIN model is constructed and trained using the structural information of chemical molecule graphs. Node attributes, edge attributes, and edge indices are used as input data, while graph attributes are used as labels. The GIN model effectively captures the structural characteristics of graphs and can accurately predict graph attributes, i.e., molecular properties. It also generates Graph Embeddings, represented as vectors that encode the structural information of graphs. In the second stage, Graph Embedding vectors are further optimized for downstream similarity tasks while preserving the graph structural information. The Siamese autoencoder is constructed and trained, which reduces the dimensionality of the Graph Embedding vectors, while maximizing the preservation of structural information in the original high-dimensional vectors. The resulting low-dimensional Graph Embeddings can be effectively utilized for tasks such as approximate nearest neighbor search. The experimental results demonstrate the effectiveness of our proposed framework in accurately predicting graph similarity.

Ma, Jiaji↗
DOE OSTI2019

Adaptive multi-index collocation for uncertainty quantification and sensitivity analysis

In this paper, we present an adaptive algorithm to construct response surface approximations of high-fidelity models using a hierarchy of lower fidelity models. Our algorithm is based on multiindex stochastic collocation and automatically balances physical discretization error and response surface error to construct an approximation of model outputs. This surrogate can be used for uncertainty quantification (UQ) and sensitivity analysis (SA) at a fraction of the cost of a purely high-fidelity approach. We demonstrate the effectiveness of our algorithm on a canonical test problem from the UQ literature and a complex multi-physics model that simulates the performance of an integrated nozzle for an unmanned aerospace vehicle. We find that when the input-output response is sufficiently smooth our algorithm produces approximations that can be up to orders of magnitude more accurate than single fidelity approximations for a fixed computational budget.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1993

Grasp synthesis for planar and solid objects

An analysis of the mechanics for multifingered grasps of planar and solid objects is presented. A method that is intuitive and computationally efficient is proposed. The search for finger grasp positions is combined with finger (manipulation and squeezing) for calculations in a single method. Physically, the squeezing and frictional effects between the fingers and the grasped objects are fully visualized through this approach. Mathematically, the complexity of finger force calculations are reduced when this scheme is compared with previously available schemes. The efficiency of the scheme is illustrated. On the basis of the analysis of grasp mechanics, an algorithm for quantitatively choosing the grasp points is proposed to ensure stable grasps.

Chen, Yu-Che↗
NASA NTRS1995

System identification methods for aircraft flight control development and validation

System-identification methods compose a mathematical model, or series of models, from measurements of inputs and outputs of dynamic systems. The extracted models allow the characterization of the response of the overall aircraft or component subsystem behavior, such as actuators and on-board signal processing algorithms. This paper discusses the use of frequency-domain system-identification methods for the development and integration of aircraft flight-control systems. The extraction and analysis of models of varying complexity from nonparametric frequency-responses to transfer-functions and high-order state-space representations is illustrated using the Comprehensive Identification from FrEquency Responses (CIFER) system-identification facility. Results are presented for test data of numerous flight and simulation programs at the Ames Research Center including rotorcraft, fixed-wing aircraft, advanced short takeoff and vertical landing (ASTOVL), vertical/short takeoff and landing (V/STOL), tiltrotor aircraft, and rotor experiments in the wind tunnel. Excellent system characterization and dynamic response prediction is achieved for this wide class of systems. Examples illustrate the role of system-identification technology in providing an integrated flow of dynamic response data around the entire life-cycle of aircraft development from initial specifications, through simulation and bench testing, and into flight-test optimization.

Tischler, Mark B.↗
NASA NTRS1997

Independent Analysis of the Space Station Node Modal Test Data

With complex structures, comparison of independently derived sets of experimental modal parameters is an excellent way to increase confidence in the results. This paper presents modal identification results using the Eigensystem Realization Algorithm (ERA) on frequency response functions from the modal test of the Space Station Resource Node. The Resource Node is the first U.S.-built structure for the International Space Station. The modal test was conducted by the NASA Marshall Space Flight Center (MSFC) in January 1997 for the Boeing Company, who designed and built the Node. The ERA-calculated parameters are compared with independent results obtained by the MSFC test team using commercial software. There was excellent correlation of mode shapes between the two sets of results for the first 21 vibration modes of the structure up to 35 Hz. From 35 to 50 Hz, about 60 percent of 25 additional modes had excellent correlation. Natural frequencies and damping factors of most modes agreed within 0.1 Hz and 0.2 percent, respectively.

Pappa, Richard S.↗
DOE OSTI2018

DES science portal: Computing photometric redshifts

We present the Dark Energy Survey (DES) Science Portal, an integratedweb-based data interface designed to facilitate scientific analysis. Wedemonstrate how the Portal can provide a reliable environment to accesscomplete data sets, provide validation algorithms and metrics in the case ofmultiple methods and training configurations, and maintain the provenancebetween the different steps of a complex calculation, while ensuringreproducibility of the results. We use the estimation of DES photometricredshifts (photo-$z$s) as an example. A significant challenge facingphotometric surveys for cosmological purposes, such as DES, is the need toproduce reliable redshift estimates. The choice between competing algorithmsand configurations and the maintenance of an up-to-date spectroscopic databaseto build training sets, for example, are complex tasks when dealing with largeamounts of data that are regularly updated and constantly growing. We show howthe DES Science Portal can be used to train and validate several photo-$z$algorithms using the DES first year (Y1A1) data. The photo-$z$s estimated inthe Portal are used to feed the creation of catalogs for scientific workflows.While the DES collaboration is still developing techniques to obtain precisephoto-$z$s, having a structured framework like the one presented here iscritical for the systematic vetting of DES algorithmic improvements and theconsistent production of photo-$z$s in future DES releases.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS1993

Development, refinement, and testing of a short term solar flare prediction algorithm

Progress toward performance of the tasks and accomplishing the goals set forth in the two year Research Grant included primarily analysis of digital data sets and determination of methodology associated with the analysis of the very large, unique, and complex collection of digital solar magnetic field data. The treatment of each magnetogram as a unique set of data requiring special treatment was found to be necessary. It is determined that a person familiar with the data, the analysis system, and logical, coherent outcome of the analysis must conduct each analysis, and interact with the analysis program(s) significantly sometimes many iterations for successful calibration and analysis of the data set. With this interaction, the data sets yield valuable, coherent analyses. During this period, it was also decided that only data sets taken inside heliographic longitudes (Central Meridian Distance) East and West 30 degrees (within 30 degrees of the Central Meridian of the Sun). If the total data set is then found to be numerically inadequate for the final analysis, 30 - 45 degrees Central Meridian Distance data will then be analyzed. The Optical Data storage system (MSFC observatory) was found appropriate for use both in intermediate storage of the data (preliminary to analysis), and for storage of the analyzed data sets for later parametric extraction.

Smith, Jesse B., Jr.↗
DOE OSTI2023

Impact of genotype‐calling methodologies on genome‐wide association and genomic prediction in polyploids

Abstract Discovery and analysis of genetic variants underlying agriculturally important traits are key to molecular breeding of crops. Reduced representation approaches have provided cost‐efficient genotyping using next‐generation sequencing. However, accurate genotype calling from next‐generation sequencing data is challenging, particularly in polyploid species due to their genome complexity. Recently developed Bayesian statistical methods implemented in available software packages, polyRAD, EBG, and updog, incorporate error rates and population parameters to accurately estimate allelic dosage across any ploidy. We used empirical and simulated data to evaluate the three Bayesian algorithms and demonstrated their impact on the power of genome‐wide association study (GWAS) analysis and the accuracy of genomic prediction. We further incorporated uncertainty in allelic dosage estimation by testing continuous genotype calls and comparing their performance to discrete genotypes in GWAS and genomic prediction. We tested the genotype‐calling methods using data from two autotetraploid species, Miscanthus sacchariflorus and Vaccinium corymbosum , and performed GWAS and genomic prediction. In the empirical study, the tested Bayesian genotype‐calling algorithms differed in their downstream effects on GWAS and genomic prediction, with some showing advantages over others. Through subsequent simulation studies, we observed that at low read depth, polyRAD was advantageous in its effect on GWAS power and limit of false positives. Additionally, we found that continuous genotypes increased the accuracy of genomic prediction, by reducing genotyping error, particularly at low sequencing depth. Our results indicate that by using the Bayesian algorithm implemented in polyRAD and continuous genotypes, we can accurately and cost‐efficiently implement GWAS and genomic prediction in polyploid crops.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Wind Forecasting Improvement Project In Complex Terrain Near the Columbia River Gorge

In 2014 a multi-institution team led by Vaisala, Inc. was selected by the Department of Energy (DOE) to partner with multiple DOE and National Oceanic and Atmospheric Administration (NOAA) laboratories on a project designed to improve the quality of wind power forecasts in areas of complex terrain. This was the second Wind Forecast Improvement Project (WFIP2) funded by DOE and it extended from late 2014 through the middle of 2018. It encompassed an 18-month observational field campaign, numerical weather prediction (NWP) model development, extensive analysis of data and NWP output, and the creation of decision support tool algorithms to convey forecast information to end users in the wind industry. WFIP2 focused on improvements to the representation of near-surface and boundary-layer physics in NOAA’s High-Resolution Rapid Refresh (HRRR) model. Improvements to HRRR, which is run operationally over the continental United States, benefit the wind industry in multiple ways. Forecasts from the operational HRRR are used directly by wind power forecast vendors and the operators of wind plants. In addition, because HRRR is built using the widely-used Weather Research and Forecasting (WRF) model, improvements to its parameterizations become available to commercial and research institutions using WRF for a myriad of purposes. The geographic area studied by WFIP2 was a region of the Columbia River basin located to the east of the Cascade Mountains between Oregon and Washington. Home to over 6 GW of installed capacity for wind energy production, this area also hosts a variety of atmospheric phenomena either unique to or augmented by complex topography. This makes it an attractive test-bed for the analysis of wind forecast in complex terrain, though results found are should be applicable in any area of topographic complexity. WFIP2 succeeded as a collaborative effort, and while this report focuses on the activities of the team led by Vaisala, the work described here is part of a larger whole. The Vaisala team accomplished a number of specific tasks as described in this report, while also contributing to this larger effort.

17 WIND ENERGY↗
DOE OSTI2020

Computing Bottleneck Structures at Scale for High-Precision Network Performance Analysis

The Theory of Bottleneck Structures is a recently-developed framework for studying the performance of data networks. It describes how local perturbations in one part of the network propagate and interact with others. This framework is a powerful analytical tool that allows network operators to make accurate predictions about network behavior and thereby optimize performance. Previous work implemented a software package for bottleneck structure analysis, but applied it only to toy examples. In this work, we introduce the first software package capable of scaling bottleneck structure analysis to production-size networks. Here, we benchmark our system using logs from ESnet, the Department of Energy's high-performance data network that connects research institutions in the U.S. Using the previously published tool as a baseline, we demonstrate that our system achieves vastly improved performance, constructing the bottleneck structure graphs in 0.21 s and calculating link derivatives in 0.09 s on average. We also study the asymptotic complexity of our core algorithms, demonstrating good scaling properties and strong agreement with theoretical bounds. These results indicate that our new software package can maintain its fast performance when applied to even larger networks. They also show that our software is efficient enough to analyze rapidly changing networks in real time. Overall, we demonstrate the feasibility of applying bottleneck structure analysis to solve practical problems in large, real-world data networks.

benchmark↗
DOE OSTI2018

Integrated Cyber/Physical Grid Resiliency Modeling

This project explored coupling modeling and analysis methods from multiple domains to address complex hybrid (cyber and physical) attacks on mission critical infrastructure. Robust methods to integrate these complex systems are necessary to enable large trade-space exploration including dynamic and evolving cyber threats and mitigations. Reinforcement learning employing deep neural networks, as in the AlphaGo Zero solution, was used to identify "best" (or approximately optimal) resilience strategies for operation of a cyber/physical grid model. A prototype platform was developed and the machine learning (ML) algorithm was made to play itself in a game of 'Hurt the Grid'. This proof of concept shows that machine learning optimization can help us understand and control complex, multi-dimensional grid space. A simple, yet high-fidelity model proves that the data have spatial correlation which is necessary for any optimization or control. Our prototype analysis showed that the reinforcement learning successfully improved adversary and defender knowledge to manipulate the grid. When expanded to more representative models, this exact type of machine learning will inform grid operations and defense - supporting mitigation development to defend the grid from complex cyber attacks! This same research can be expanded to similar complex domains.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Machine-Learning Analysis of Moisture Carryover in Boiling Water Reactors

Moisture carryover (MCO) is modeled in the General Electric Type-4 boiling water reactor (BWR) using machine-learning methods and data from operating plants. Understanding MCO and the conditions that give rise to an elevated value is important since excessive MCO can damage critical turbine components, can result in elevated dose levels to on-site personnel, and can interfere with late-cycle power management. The analysis of MCO takes into account simplifying reactor symmetries and important geometric dependencies. The plant data are taken from several reactors and were collected over multiple years and multiple fuel cycles. A brief description of the origin of MCO in U.S. BWR plants is given. A machine-learning model is constructed from the data using applicable algorithms and data-reduction techniques. Matching model complexity with available data is one of the more challenging machine-learning tasks. Too many features and too little data will lead to overfitting. The data for each fuel cycle included over 6876 original features, 9 for each fuel bundle. Two approaches are used to reduce the data set into a manageable number of features. The first was an engineering analysis that resulted in the selection of steam quality Q and steam liquid phase velocity V L as the main features driving MCO. Using a Q and a V L for each fuel bundle gives 1528 Q and a V L feature describing the reactor behavior. An analysis of different functional forms of these two variables led to the actual inputs to the neural network model. The second approach involved the use of statistical techniques such as Pearson’s correlation and k-means analysis. The identified groupings of bundles behaved similarly. Treating each grouping as a single feature further reduced the input variable set to a manageable number. Here, a model selection criterion is proposed, and results are presented along with a discussion of related issues.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1994

Operations for Learning with Graphical Models

This paper is a multidisciplinary review of empirical, statistical learning from a graphical model perspective. Well-known examples of graphical models include Bayesian net- works, directed graphs representing a Markov chain, and undirected networks representing a Markov field. These graphical models are extended to model data analysis and empirical learning using the notation of plates. Graphical operations for simplifying and manipulating a problem are provided including decomposition, differentiation, and the manipulation of probability models from the exponential family. These operations adapt existing techniques from statistics and automatic differentiation to graphs. Two standard algorithm schemes for learning are reviewed in a graphical framework: Gibbs sampling and the expectation maximization algorithm. Some algorithms are developed in this graphical framework including a generalized version of linear regression, techniques for feed-forward networks, and learning Gaussian and discrete Bayesian networks from data. The paper concludes by sketching some implications for data analysis and summarizing some popular algorithms that fall within the framework presented. The main original contributions here are the decomposition techniques and the demonstration that graphical models provide a framework for understanding and developing complex learning algorithms.

Buntine, Wray L.↗
NASA NTRS2009

A Survey of New Trends in Symbolic Execution for Software Testing and Analysis

Symbolic execution is a well-known program analysis technique which represents values of program inputs with symbolic values instead of concrete (initialized) data and executes the program by manipulating program expressions involving the symbolic values. Symbolic execution has been proposed over three decades ago but recently it has found renewed interest in the research community, due in part to the progress in decision procedures, availability of powerful computers and new algorithmic developments. We provide a survey of some of the new research trends in symbolic execution, with particular emphasis on applications to test generation and program analysis. We first describe an approach that handles complex programming constructs such as input data structures, arrays, as well as multi-threading. We follow with a discussion of abstraction techniques that can be used to limit the (possibly infinite) number of symbolic configurations that need to be analyzed for the symbolic execution of looping programs. Furthermore, we describe recent hybrid techniques that combine concrete and symbolic execution to overcome some of the inherent limitations of symbolic execution, such as handling native code or availability of decision procedures for the application domain. Finally, we give a short survey of interesting new applications, such as predictive testing, invariant inference, program repair, analysis of parallel numerical programs and differential symbolic execution.

Pasareanu, Corina S.↗
NASA NTRS2019

Multi-Band Atmospheric Correction Algorithm for Ocean Color Retrievals

NASA's current Atmospheric Correction (AC) algorithm for ocean color utilizes two bands and their ratio in the Near Infrared (NIR) to estimate aerosol reflectance and aerosol type. The algorithm then extrapolates the spectral dependence of aerosol reflectance to the visible wavelengths based on modeled spectral dependence of the identified aerosol type. Future advanced ocean color sensors, such as the Ocean Color Instrument (OCI) that will be carried on the Plankton, Aerosol, Cloud, and ocean Ecosystem (PACE) satellite, will be capable of measuring the hyperspectral radiance from 340 to 890 nm at 5-nm spectral resolution and at 7 discrete Short-wave Infrared (SWIR) channels: 940, 1038,1250, 1378, 1615, 2130, and 2260 nm. To optimally employ this unprecedented instrument capability, we propose an improved AC algorithm that utilizes all atmospheric-window channels in the NIR to SWIR spectral range to reduce the uncertainty in the AC process. A theoretical uncertainty analysis of this, namely Multi-Band AC (MBAC), indicates that the algorithm can reduce the uncertainty in remote sensing reflectance (Rrs) retrievals of the ocean caused by sensor random noise. Furthermore, in optically complex waters, where the NIR signal is affected by contributions from highly-reflective turbid waters, the MBAC algorithm can be adaptively weighted to the strongly-absorbing SWIR channels to enable improved ocean color retrievals in coastal waters. We provide here a description of the algorithm and demonstrate the improved performance in ocean color retrievals, relative to the current NASA standard AC algorithm, through comparison with field measurements and assessment of propagated uncertainties in applying the MBAC algorithm to MODIS and simulated PACE OCI data.

PACE↗
NASA NTRS2020

High-Resolution Mapping of SO2 Using Airborne Observations from the GeoTASO Instrument During the KORUS-AQ Field Study: PCA-Based Vertical Column Retrievals

The Geostationary Trace gas and Aerosol Sensor Optimization (GeoTASO) instrument is an airborne hyperspectral spectrometer measuring backscattered solar radiation in the ultraviolet (290–400 nm) and visible (415–695 nm) wavelength regions. This paper presents high-resolution sulfur dioxide (SO2) maps over the Korean Peninsula, produced by SO2 retrievals from GeoTASO measurements during the Korea–United States Air Quality Field Study (KORUS-AQ) from May to June 2016. The highly sensitive GeoTASO instrument with a spatial resolution of ~250 m × 250 m can detect point emission sources of SO2 within its fields of view, even without merging multiple overlapping observations. To retrieve SO2 vertical columns from the GeoTASO measurements, we apply an algorithm based on principal component analysis (PCA), which is effective in suppressing noise and biases in SO2 retrievals. The retrievals successfully capture SO2 plumes and various point sources such as power plants, a petrochemical complex, and a steel mill, located in South Chungcheong Province, some of which are not detected by a ground-based in situ measurement network. Spatial distributions of SO2 from GeoTASO observations in source areas are consistent with those from the Stack Tele-Monitoring System reports and airborne in situ SO2 measurements. Comparisons of SO2 retrievals from GeoTASO and existing satellite sensors demonstrate the significance of high-resolution SO2 observations, by indicating that GeoTASO detects small SO2 emission sources that are not precisely resolved by single overpasses of satellites. To assess future geostationary SO2 observations having a higher spatial resolution, we upscale the GeoTASO SO2 retrievals to a spatial resolution of the Geostationary Environment Monitoring Spectrometer (GEMS). Since the upscaled GeoTASO retrievals also detect SO2 plumes clearly, we expect from GEMS to identify even small SO2 emission sources over Asia.

Chong, Heesung↗