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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 847 records · Page 47

A Preprocessing Tool for Enhanced Ion Mobility–Mass Spectrometry-Based Omics Workflows

The ability to improve the data quality of ion mobility–mass spectrometry (IM-MS) measurements is of great importance for enabling modular and efficient computational workflows and gaining better qualitative and quantitative insights from complex biological and environmental samples. We developed the PNNL PreProcessor, a standalone and user-friendly software housing various algorithmic implementations to generate new MS-files with enhanced signal quality and in the same instrument format. Different experimental approaches are supported for IM-MS based on Drift-Tube (DT) and Structures for Lossless Ion Manipulations (SLIM), including liquid chromatography (LC) and infusion analyses. The algorithms extend the dynamic range of the detection system, while reducing file sizes for faster and memory-efficient downstream processing. Specifically, multidimensional smoothing improves peak shapes of poorly defined low-abundance signals, and saturation repair reconstructs the intensity profile of high-abundance peaks from various analyte types. Further, other functionalities are data compression and interpolation, IM demultiplexing, noise filtering by low intensity threshold and spike removal, and exporting of acquisition metadata. Several advantages of the tool are illustrated, including an increase of 19.4% in lipid annotations and a two-times faster processing of LC-DT IM-MS data-independent acquisition spectra from a complex lipid extract of a standard human plasma sample. The software is freely available at https://omics.pnl.gov/software/pnnl-preprocessor.

59 BASIC BIOLOGICAL SCIENCES↗

Forest regeneration within Earth system models: current process representations and ways forward

Earth system models must predict forest responses to global change in order to simulate future global climate, hydrology, and ecosystem dynamics. These models are increasingly adopting vegetation demographic approaches that explicitly represent tree growth, mortality, and recruitment, enabling advances in the projection of forest vulnerability and resilience, as well as evaluation with field data. To date, simulation of regeneration processes has received far less attention than simulation of processes that affect growth and mortality, in spite of their critical role maintaining forest structure, facilitating turnover in forest composition over space and time, enabling recovery from disturbance, and regulating climate-driven range shifts. Here, our critical review of regeneration process representations within current Earth system vegetation demographic models reveals the need to improve parameter values and algorithms for reproductive allocation, dispersal, seed survival and germination, environmental filtering in the seedling layer, and tree regeneration strategies adapted to wind, fire, and anthropogenic disturbance regimes. These improvements require synthesis of existing data, specific field data-collection protocols, and novel model algorithms compatible with global-scale simulations. Vegetation demographic models offer the opportunity to more fully integrate ecological understanding into Earth system prediction; regeneration processes need to be a critical part of the effort.

54 ENVIRONMENTAL SCIENCES↗

Polymer informatics: Current status and critical next steps

Artificial intelligence (AI) based approaches are beginning to impact several domains of human life, science and technology. Polymer informatics is one such domain where AI and machine learning (ML) tools are being used in the efficient development, design and discovery of polymers. Surrogate models are trained on available polymer data for instant property prediction, allowing screening of promising polymer candidates with specific target property requirements. Questions regarding synthesizability, and potential (retro)synthesis steps to create a target polymer, are being explored using statistical means. Data-driven strategies to tackle unique challenges resulting from the extraordinary chemical and physical diversity of polymers at small and large scales are being explored. Other major hurdles for polymer informatics are the lack of widespread availability of curated and organized data, and approaches to create machine-readable representations that capture not just the structure of complex polymeric situations but also synthesis and processing conditions. Methods to solve inverse problems, wherein polymer recommendations are made using advanced AI algorithms that meet application targets, are being investigated. As various parts of the burgeoning polymer informatics ecosystem mature and become integrated, efficiency improvements, accelerated discoveries and increased productivity can result. Here in this paper, we review emergent components of this polymer informatics ecosystem and discuss imminent challenges and opportunities.

36 MATERIALS SCIENCE↗

Application of a finite element method for computing grazing incidence wave structure in an impedance tube - Comparison with experiment

The acoustic performance of a liner specimen, in a grazing incidence impedance tube, is analyzed using a finite element method. The liner specimen was designed to be a locally reacting, two-degree-of-freedom type with the resistance and reactance provided by perforated facesheets and compartmented cavities. Measured and calculated wave structures are compared for both normal and grazing incidence from 0.3 to 1.2 kHz. A finite element algorithm was incorporated into an optimization loop in order to predict liner grazing incidence impedance from measured SWR and null position data. Results suggest that extended reaction effects may have been responsible for differences between normal and grazing incidence impedance estimates.

Lester, H. C.↗

Application of LANDSAT data to the study of urban development in Brasilia

The urban growth of Brasilia within the last ten years is analyzed with special emphasis on the utilization of remote sensing orbital data and automatic image processing. The urban spatial structure and the monitoring of its temporal changes were examined in a whole and dynamic way by the utilization of MSS-LANDSAT images for June (1973, 1978 and 1983). In order to aid data interpretation, a registration algorithm implemented in the Interactive Multispectral Image Analysis System (IMAGE-100) was utilized aiming at the overlap of multitemporal images. The utilization of suitable digital filters, combined with the images overlap, allowed a rapid identification of areas of possible urban growth and oriented the field work. The results obtained in this work permitted an evaluation of the urban growth of Brasilia, taking as reference the proposal stated for the construction of the city in the Pilot Plan elaborated by Lucio Costa.

Parada, N. D. J.↗

Study of the urban evolution of Brasilia with the use of LANDSAT data

The urban growth of Brasilia within the last ten years is analyzed with special emphasis on the utilization of remote sensing orbital data and automatic image processing. The urban spatial structure and the monitoring of its temporal changes were focused in a whole and dynamic way by the utilization of MSS-LANDSAT images for June 1973, 1978 and 1983. In order to aid data interpretation, a registration algorithm implemented at the Interactive Multispectral Image Analysis System (IMAGE-100) was utilized aiming at the overlap of multitemporal images. The utilization of suitable digital filters, combined with the images overlap, allowed a rapid identification of areas of possible urban growth and oriented the field work. The results obtained permitted an evaluation of the urban growth of Brasilia, taking as reference the proposed stated for the construction of the city.

Deoliveira, M. D. N.↗

Space station data system analysis/architecture study. Task 2: Options development DR-5. Volume 1: Technology options

The second task in the Space Station Data System (SSDS) Analysis/Architecture Study is the development of an information base that will support the conduct of trade studies and provide sufficient data to make key design/programmatic decisions. This volume identifies the preferred options in the technology category and characterizes these options with respect to performance attributes, constraints, cost, and risk. The technology category includes advanced materials, processes, and techniques that can be used to enhance the implementation of SSDS design structures. The specific areas discussed are mass storage, including space and round on-line storage and off-line storage; man/machine interface; data processing hardware, including flight computers and advanced/fault tolerant computer architectures; and software, including data compression algorithms, on-board high level languages, and software tools. Also discussed are artificial intelligence applications and hard-wire communications.

Source record↗

Generation of three-dimensional unstructured grids by the advancing-front method

The generation of three-dimensional unstructured grids using the advancing-front technique is described. While this generation technique has been shown to be effective for the generation of unstructured grids in two dimensions, its extension to three-dimensional regions required the development of surface definition software and sophisticated data structures to avoid excessive CPU-time overheads for the search operations involved. After obtaining an initial triangulation of the surfaces, tetrahedrons are generated by successively deleting faces from the generation front. Details of the mesh generation algorithm are given, together with examples and timings.

Lohner, Rainald↗

Rigid body mode identification of the PAH-2 helicopter using the eigensystem realization algorithm

The rigid body modes of the PAH-2 'Tiger' helicopter were identified using the Eigensystem Realization Algorithm (ERA). This work complements ground vibration tests performed using DLR's traditional phase resonance technique and the ISSPA (Identification of Structural System Parameters) method. Rigid body modal parameters are important for ground resonance prediction. Time-domain data for ERA were obtained by inverse Fourier transformation of frequency response functions measured with stepped-sine excitation. Mode purity (based on the Phase Resonance Criterion) was generally equal to or greater than corresponding results obtained in the ground vibration tests. All identified natural frequencies and mode shapes correlate well with corresponding ground vibration test results. The modal identification approach discussed in this report has become increasingly attractive in recent years due to the steadily declining cost and increased performance of scientific computers. As illustrated in this application, modern time-domain methods can be successfully applied to data acquired using DLR's existing test equipment. Some suggestions are made for future applications of time domain modal identification in this manner.

Schenk, Axel↗

An assessment of viscous effects in computational simulation of benign and burst vortex flows on generic fighter wind-tunnel models using TEAM code

Vortex flows on a twin-tail and a single-tail modular transonic vortex interaction (MTVI) model, representative of a generic fighter configuration, are computationally simulated in this study using the Three-dimensional Euler/Navier-Stokes Aerodynamic Method (TEAM). The primary objective is to provide an assessment of viscous effects on benign (10 deg angle of attack) and burst (35 deg angle of attack) vortex flow solutions. This study was conducted in support of a NASA project aimed at assessing the viability of using Euler technology to predict aerodynamic characteristics of aircraft configurations at moderate-to-high angles of attack in a preliminary design environment. The TEAM code solves the Euler and Reynolds-average Navier-Stokes equations on patched multiblock structured grids. Its algorithm is based on a cell-centered finite-volume formulation with multistage time-stepping scheme. Viscous effects are assessed by comparing the computed inviscid and viscous solutions with each other and experimental data. Also, results of Euler solution sensitivity to grid density and numerical dissipation are presented for the twin-tail model. The results show that proper accounting of viscous effects is necessary for detailed design and optimization but Euler solutions can provide meaningful guidelines for preliminary design of flight vehicles which exhibit vortex flows in parts of their flight envelope.

Kinard, Tim A.↗

Concepts and Development of Bio-Inspired Distributed Embedded Wired/Wireless Sensor Array Architectures for Acoustic Wave Sensing in Integrated Aerospace Vehicles

This paper discusses the modeling of acoustic emissions in plate structures and their sensing by embedded or surface bonded piezoelectric sensor arrays. Three different modeling efforts for acoustic emission (AE) wave generation and propagation are discussed briefly along with their advantages and disadvantages. Continuous sensors placed at right angles on a plate are being discussed as a new approach to measure and locate the source of acoustic waves. Evolutionary novel signal processing algorithms and bio-inspired distributed sensor array systems are used on large structures and integrated aerospace vehicles for AE source localization and preliminary results are presented. These systems allow for a great reduction in the amount of data that needs to be processed and also reduce the chances of false alarms from ambient noises. It is envisioned that these biomimetic sensor arrays and signal processing techniques will be useful for both wireless and wired sensor arrays for real time health monitoring of large integrated aerospace vehicles and earth fixed civil structures. The sensor array architectures can also be used with other types of sensors and for other applications.

Ghoshal, Anindya↗

AutoBayes Program Synthesis System System Internals

This lecture combines the theoretical background of schema based program synthesis with the hands-on study of a powerful, open-source program synthesis system (Auto-Bayes). Schema-based program synthesis is a popular approach toward program synthesis. The lecture will provide an introduction into this topic and discuss how this technology can be used to generate customized algorithms. The synthesis of advanced numerical algorithms requires the availability of a powerful symbolic (algebra) system. Its task is to symbolically solve equations, simplify expressions, or to symbolically calculate derivatives (among others) such that the synthesized algorithms become as efficient as possible. We will discuss the use and importance of the symbolic system for synthesis. Any synthesis system is a large and complex piece of code. In this lecture, we will study Autobayes in detail. AutoBayes has been developed at NASA Ames and has been made open source. It takes a compact statistical specification and generates a customized data analysis algorithm (in C/C++) from it. AutoBayes is written in SWI Prolog and many concepts from rewriting, logic, functional, and symbolic programming. We will discuss the system architecture, the schema libary and the extensive support infra-structure. Practical hands-on experiments and exercises will enable the student to get insight into a realistic program synthesis system and provides knowledge to use, modify, and extend Autobayes.

Statistical Algorithms↗

Binary Complex Neural Network Acceleration on FPGA

Being able to learn from complex data with phase information is imperative for many signal processing applications. Today’s real-valued deep neural networks (DNNs) have shown efficiency in latent information analysis but fall short when applied to the complex domain. Deep complex networks (DCN) , in contrast, can learn from complex data, but have high computational costs; therefore, they cannot satisfy the instant decision making requirements of many deployable systems dealing with short observations or short signal bursts. Recent, Binarized Complex Neural Network (BCNN), which integrates DCNs with binarized neural networks (BNN), shows great potential in classifying complex data in real-time. In this paper, we propose a structural pruning based accelerator of BCNN, which is able to provide more than 5000 frames/s inference throughput on edge devices. The high performance comes from both the algorithm and hardware sides. On the algorithm side, we conduct structural pruning to the original BCNN models and obtain 20 × pruning rates with negligible accuracy loss; on the hardware side, we propose a novel 2D convolution operation accelerator for the binary complex neural network. Experimental results show that the proposed design works with over 90% utilization and is able to achieve the inference throughput of 5882 frames/s and 4938 frames/s for complex NIN-Net and ResNet-18 using CIFAR-10 dataset and Alveo U280 Board.

Peng, Hongwu↗

Evaluation of the Reconstruction Accuracy of the Ultrasound Model–Based Image Reconstruction (U-MBIR) Method for Concrete to Optimize Damage Detection

Reinforced concrete is a critical structural material used to construct nuclear power plants (NPPs). As such, its safety and performance must be thoroughly examined throughout the life cycle of the NPP infrastructure system. Ultrasonic measurements have been an industry standard for both surface and subsurface inspections. To support the development of these techniques, Oak Ridge National Laboratory (ORNL) has researched and developed advanced image reconstruction algorithms to capture internal damage. The results and discussion presented herein summarize the current state of the ultrasonic model–based iterative reconstruction (U-MBIR) algorithm developed at ORNL. In the work documented in this report, the U-MBIR methodology was applied to four sets of ultrasonic data collected from concrete specimens. The results demonstrate that the U-MBIR algorithm can successfully detect defects within the four concrete samples. The reconstruction images help identify the specimen thickness, regions of delamination, and location of rebar embedded within the concrete. The reconstruction images allow engineers and technicians to characterize the internal defects within concrete specimens and structural members. Ultimately, this knowledge can guide engineers in making informed decisions regarding the performance, safety, and reliability of structural materials (i.e., reinforced concrete) throughout the life cycle of NPPs.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Systematic Differences between Satellite-Based Presipitation Climatologies over the Tropical Oceans

Since the beginning of the World Climate Research Program's Global Precipitation Climatology Project (GPCP) satellite remote sensing of precipitation has made dramatic improvements, particularly for tropical regions. Data from microwave and infrared sensors now form the most critical input to precipitation data sets and can be calibrated with surface gauges to so that the strengths of each data source can be maximized in some statistically optimal sense. It is clear however that there still remain significant uncertainties with satellite precipitation retrievals which limit their usefulness for many purposes. Systematic differences i'A tropical precipitation estimates have been brought to light in comparison activities such as the GPCP Algorithm Intercomparison Project and more recent Wetnet Precipitation Intercomparison Project 3. These uncertainties are assuming more importance because of the demands for validation associated with global climate modeling and data assimilation methodologies. The objective of the present study is to determine the physical basis for systematic differences in spatial structure of tropical precipitation as portrayed by several different satellite-based data sets. The study is limited to oceanic regions only and deals primarily with aspects of spatial variability. We are specifically interested in why MSU channel 1 and GPI precipitation differences are so striking over the Eastern Pacific ITCZ and why they both differ from other microwave emission-based precipitation estimates from SSM/I and a scattering-based deep convective ice index from MSU channel 2. Our results to date have shown that MSU channel I precipitation estimates are biased high over the Eastern Pacific ITCZ because of two factors: (1) the hypersensitivity of this frequency to cloud water in contrast to falling rain drops, and (2) unaccounted for scattering effects by precipitation-size ice which depresses the signal of the liquid water emission. Likewise, cold cloud top climatologies such as the GPI show an excess (a deficit) in estimated rainfall over the E. Pacific ITCZ (Warm Pool region). We show that these algorithms need to account for regionally varying heights (or temperatures) at which tropical convection detrains to form cirrus shields. A second objective we pursue is to identify variations in the macroscale cloud physical and thermodynamic properties of precipitation regimes" and relate these differences to tropical dynamical mechanisms of tropical heat and moisture balance. Finally, we interpret the algorithm differences and their associations with tropical dynamics in terms of WCRP GPCP goals for constructing precipitation climatologies.

Robertson, Frankin R.↗

Numerical evidence against advantage with quantum fidelity kernels on classical data

Quantum machine learning techniques are commonly considered one of the most promising candidates for demonstrating practical quantum advantage. In particular, quantum kernel methods have been demonstrated to be able to learn certain classically intractable functions efficiently if the kernel is well aligned with the target function. In the more general case, quantum kernels are known to suffer from exponential “flattening” of the spectrum as the number of qubits grows, preventing generalization and necessitating the control of the inductive bias by hyperparameters. We show that the general-purpose hyperparameter-tuning techniques proposed to improve the generalization of quantum kernels lead to the kernel becoming well approximated by a classical kernel, removing the possibility of quantum advantage. We provide extensive numerical evidence for this phenomenon utilizing multiple previously studied quantum feature maps and both synthetic and real data. Our results show that unless novel techniques are developed to control the inductive bias of quantum kernels, they are unlikely to provide a quantum advantage on classical data that lacks special structure.

Quantum Information, Science & Technology↗

Advancing Methodologies for Applying Machine Learning and Evaluating Spatiotemporal Models of Fine Particulate Matter (PM 2.5 ) Using Satellite Data Over Large Regions

Reconstructing the distribution of fine particulate matter (PM 2.5 ) in space and time, even far from ground monitoring sites, is an important exposure science contribution to epidemiologic analyses of PM 2.5 health impacts. Flexible statistical methods for prediction have demonstrated the integration of satellite observations with other predictors, yet these algorithms are susceptible to overfitting the spatiotemporal structure of the training datasets. We present a new approach for predicting PM 2.5 using machine-learning methods and evaluating prediction models for the goal of making predictions where they were not previously available. We apply extreme gradient boosting (XGBoost) modeling to predict daily PM 2.5 on a 1 x 1 km 2 resolution for a 13 state region in the Northeastern USA for the years 2000–2015 using satellite-derived aerosol optical depth and implement a recursive feature selection to develop a parsimonious model. We demonstrate excellent predictions of withheld observations but also contrast an RMSE of 3.11 μg/m 3 in our spatial cross-validation withholding nearby sites versus an overfit RMSE of 2.10 μg/m 3 using a more conventional random ten-fold splitting of the dataset. As the field of exposure science moves forward with the use of advanced machine-learning approaches for spatiotemporal modeling of air pollutants, our results show the importance of addressing data leakage in training, overfitting to spatiotemporal structure, and the impact of the predominance of ground monitoring sites in dense urban sub-networks on model evaluation. The strengths of our resultant modeling approach for exposure in epidemiologic studies of PM 2.5 include improved efficiency, parsimony, and interpretability with robust validation while still accommodating complex spatiotemporal relationships.

air pollution↗

Deep Neural Network High Spatiotemporal Resolution Precipitation Estimation (Deep-STEP) Using Passive Microwave and Infrared Data

Recent developments in “headline-making” deep neural networks (DNNs), specifically convolutional neural networks (CNNs), along with advancements in computational power, open great opportunities to integrate massive amounts of real-time observations to characterize spatiotemporal structures of surface precipitation. This study aims to develop a CNN algorithm, named Deep Neural Network High Spatiotemporal Resolution Precipitation Estimation (Deep-STEP), that ingests direct satellite passive microwave (PMW) brightness temperatures (Tbs) at emission and scattering frequencies combined with infrared (IR) Tbs from geostationary satellites and surface information to automatically extract geospatial features related to the precipitable clouds. These features allow the end-to-end Deep-STEP algorithm to instantaneously map surface precipitation intensities with a spatial resolution of 4 km. The main advantages of Deep-STEP, as compared to current state-of-the-art techniques, are 1) it learns and estimates complex precipitation systems directly from raw measurements in near–real time, 2) it uses the automatic spatial neighborhood feature extraction approach, and 3) it fuses coarse-resolution PMW footprints with IR images to reliably retrieve surface precipitation at a high spatial resolution. We anticipate our proposed DNN algorithm to be a starting point for more sophisticated and efficient precipitation retrieval systems in terms of accuracy, fine spatial pattern detection skills, and computational costs.

54 ENVIRONMENTAL SCIENCES↗