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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 91 records · Page 5

Array-Based Machine Learning for Functional Group Detection in Electron Ionization Mass Spectrometry

Mass spectrometry is a ubiquitous technique capable of complex chemical analysis. The fragmentation patterns that appear in mass spectrometry are an excellent target for artificial intelligence methods to automate and expedite the analysis of data to identify targets such as functional groups. To develop this approach, we trained models on electron ionization (a reproducible hard fragmentation technique) mass spectra so that not only the final model accuracies but also the reasoning behind model assignments could be evaluated. The convolutional neural network (CNN) models were trained on 2D images of the spectra using transfer learning of Inception V3, and the logistic regression models were trained using array-based data and Scikit Learn implementation in Python. Our training dataset consisted of 21,166 mass spectra from the United States’ National Institute of Standards and Technology (NIST) Webbook. The data was used to train models to identify functional groups, both specific (e.g., amines, esters) and generalized classifications (aromatics, oxygen-containing functional groups, and nitrogen-containing functional groups). We found that the highest final accuracies on identifying new data were observed using logistic regression rather than transfer learning on CNN models. It was also determined that the mass range most beneficial for functional group analysis is 0–100 m/z. We also found success in correctly identifying functional groups of example molecules selected from both the NIST database and experimental data. Beyond functional group analysis, we also have developed a methodology to identify impactful fragments for the accurate detection of the models’ targets. The results demonstrate a potential pathway for analyzing and screening substantial amounts of mass spectral data.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A cloud platform for atomic pair distribution function analysis: PDFitc

A cloud web platform for analysis and interpretation of atomic pair distribution function (PDF) data ( PDFitc ) is described. The platform is able to host applications for PDF analysis to help researchers study the local and nanoscale structure of nanostructured materials. The applications are designed to be powerful and easy to use and can, and will, be extended over time through community adoption and development. The currently available PDF analysis applications, structureMining, spacegroupMining and similarityMapping , are described. In the first and second the user uploads a single PDF and the application returns a list of best-fit candidate structures, and the most likely space group of the underlying structure, respectively. In the third, the user can upload a set of measured or calculated PDFs and the application returns a matrix of Pearson correlations, allowing assessment of the similarity between different data sets. structureMining is presented here as an example to show the easy-to-use workflow on PDFitc . In the future, as well as using the PDFitc applications for data analysis, it is hoped that the community will contribute their own codes and software to the platform.

97 MATHEMATICS AND COMPUTING↗

Estimating Confidence In Data Via Trend Analysis

Recursive equation defines probability-density function storing trends in noisy or potentially erroneous data. Part of algorithm for analysis of trends in data. Developed to determine reliability of data from sensor used to guide robot, and mathematical approach that it represents proves valuable in other applications. Enables computation of statistic (called "confidence statistic") indicating level of confidence in new datum. Generates confidence statistic high or low, depending on whether new datum consistent or inconsistent with previous trends.

Gutow, David A.↗

Shuttle/payload communications and data systems interface analysis

The payload/orbiter functional command signal flow and telemetry signal flow are discussed. Functional descriptions of the various orbiter communication/avionic equipment involved in processing a command to a payload either from the ground through the orbiter by the payload specialist on the orbiter are included. Functional descriptions of the various orbiter communication/avionic equipment involved in processing telemetry data by the orbiter and transmitting the processed data to the ground are presented. The results of the attached payload/orbiter single processing and data handling system evaluation are described. The causes of the majority of attached payload/orbiter interface problems are delineated. A refined set of required flux density values for a detached payload to communicate with the orbiter is presented.

Huth, G. K.↗

Single point random modal test technology application to failure detection

Frequency response function data, normally acquired as a data base for use in development of empirically based mode shapes, has additional utility. Comparison and analysis of frequency response function data sets obtained prior to and after environmental tests of an Orbiter body flap have enabled identification of structural damage that was not detected by conventional visual, X-ray, and ultrasonic inspections. The analyses and conclusions reported demonstrate that specific damaged areas within a relatively complex structure identified on a timely basis.

West, W. M., Jr.↗

Telemetry Monitoring and Display Using LabVIEW

The Measurement Technology Center of the Instrumentation Section configures automated data acquisition systems to meet the diverse needs of JPL's experimental research community. These systems are based on personal computers or workstations (Apple, IBM/Compatible, Hewlett-Packard, and Sun Microsystems) and often include integrated data analysis, visualization and experiment control functions in addition to data acquisition capabilities. These integrated systems may include sensors, signal conditioning, data acquisition interface cards, software, and a user interface. Graphical programming is used to simplify configuration of such systems. Employment of a graphical programming language is the most important factor in enabling the implementation of data acquisition, analysis, display and visualization systems at low cost. Other important factors are the use of commercial software packages and off-the-shelf data acquisition hardware where possible. Understanding the experimenter's needs is also critical. An interactive approach to user interface construction and training of operators is also important. One application was created as a result of a competative effort between a graphical programming language team and a text-based C language programming team to verify the advantages of using a graphical programming language approach. With approximately eight weeks of funding over a period of three months, the text-based programming team accomplished about 10% of the basic requirements, while the Macintosh/LabVIEW team accomplished about 150%, having gone beyond the original requirements to simulate a telemetry stream and provide utility programs. This application verified that using graphical programming can significantly reduce software development time. As a result of this initial effort, additional follow-on work was awarded to the graphical programming team.

graphical user interface LabVIEW graphical program↗

Jas4pp — A data-analysis framework for physics and detector studies

This paper describes the Jas4pp framework for exploring physics cases and for detector-performance studies of future particle collision experiments. Jas4pp is a multi-platform Java program for numeric calculations, scientific visualization in 2D and 3D, storing data in various file formats and displaying collision events and detector geometries. It also includes complex data-analysis algorithms for function minimization, regression analysis, event reconstruction (such as jet reconstruction), limit settings and other libraries widely used in particle physics. The framework can be used with several scripting languages, such as Python/Jython, Groovy and JShell. Several benchmark tests discussed in the paper illustrate significant improvements in the performance of the Groovy and JShell scripting languages compared to the standard Python implementation in C. Furthermore, the improvements for numeric computations in Java are attributed to recent enhancements in the Java Virtual Machine.

97 MATHEMATICS AND COMPUTING↗

Non-universal stellar initial mass functions: large uncertainties in star formation rates at z ≈ 2–4 and other astrophysical probes

ABSTRACT We explore the assumption, widely used in many astrophysical calculations, that the stellar initial mass function (IMF) is universal across all galaxies. By considering both a canonical broken-power-law IMF and a non-universal IMF, we are able to compare the effect of different IMFs on multiple observables and derived quantities in astrophysics. Specifically, we consider a non-universal IMF that varies as a function of the local star formation rate, and explore the effects on the star formation rate density (SFRD), the extragalactic background light, the supernova (both core-collapse and thermonuclear) rates, and the diffuse supernova neutrino background. Our most interesting result is that our adopted varying IMF leads to much greater uncertainty on the SFRD at $z \approx 2-4$ than is usually assumed. Indeed, we find an SFRD (inferred using observed galaxy luminosity distributions) that is a factor of $\gtrsim 3$ lower than canonical results obtained using a universal IMF. Secondly, the non-universal IMF we explore implies a reduction in the supernova core-collapse rate of a factor of $\sim 2$, compared against a universal IMF. The other potential tracers are only slightly affected by changes to the properties of the IMF. We find that currently available data do not provide a clear preference for universal or non-universal IMF. However, improvements to measurements of the star formation rate and core-collapse supernova rate at redshifts $z \gtrsim 2$ may offer the best prospects for discernment.

79 ASTRONOMY AND ASTROPHYSICS↗

A general scientific information system to support the study of climate-related data

The development and use of NASA's Pilot Climate Data System (PCDS) are discussed. The PCDS is used as a focal point for managing and providing access to a large collection of actively used data for the Earth, ocean and atmospheric sciences. The PCDS provides uniform data catalogs, inventories, and access methods for selected NASA and non-NASA data sets. Scientific users can preview the data sets using graphical and statistical methods. The system has evolved from its original purpose as a climate data base management system in response to a national climate program, into an extensive package of capabilities to support many types of data sets from both spaceborne and surface based measurements with flexible data selection and analysis functions.

Treinish, L. A.↗

MSATT: Mars Surface and Atmosphere Through Time

The papers published here are based on a workshop entitled "Mars: Past, Present, and Future: Results from the MSATT Program." MSATT (Mars Surface and Atmosphere Through Time) was the last of the Mars data analysis programs and functioned mainly through a series of focused workshops, the final one being held at the Lunar and Planetary Institute in Houston, Texas on November 15-17, 1993. The program began and ended with workshops that brought the entire MSATT community together. Here you will find papers that address the geology, mineralogy, and meteorology of Mars in an effort to assess how the surface and atmosphere of this fascinating planet have evolved over time. Could early Mars have been warmed by a brighter young sun instead of a massive greenhouse effect? Were glaciers and hydrological cycles part of Mars' relatively recent past, or was aeolian activity responsible for the putative glacial features? Do the SNCs come from a single source region, or is more than one site involved? And what really are the properties of Martian soils and what do they tell us about the weathering environment? Clearly, these are difficult questions, but progress toward answers can be found in this issue. Also contained in this issue are a mix of theoretical and observational papers that deal with the general circulation of the current atmosphere, the factors that drive it (dust properties), and the role it plays in controlling the current climate system.

Source record↗

A Science-Focused Artificial Intelligence (AI) Responding in Real-Time to New Information: Capability Demonstration for Ocean World Missions

Introduction: Artificial intelligence (AI) has long been considered a potential mechanism to explore increasingly challenging environments, including those with extreme temperatures and pressures, limited communication capabilities, or those with demanding terrain. We posit that missions in extreme environments could deploy an onboard AI focused on science observations and goals in order to augment a traditional concept(s) of operations (ConOps). An onboard AI capability could perform functions such as data analysis in order to make high-level decisions, including prioritized data transmission for analysis by ground-based teams or autonomously-guided follow-on analyses that maximize science return. Such a capability would empower missions to respond to scientific data of interest in real-time; a mission could make observations and perform a preliminary analysis to alert ground-based scientists to an observation of interest, enabling an informed, rapid response from Earth-based teams. Enceladus Case Study for Onboard AI: We are developing an onboard AI capability for real-time telemetry response that formulates and carries-out informed decisions in service to established mission goals, enabling increased science return of a mission. We focus our AI development for use on a constellation of SmallSats orbiting Enceladus. Our Enceladus case study tests autonomous decision-making capabilities in scenarios with complex orbital dynamics, plume ejecta, extreme cold environments, power restrictions, and a requirement to maximize science return for a potential positive detection of life, while critically evaluating the potential for false positives. Telemetry includes simulated scientific data, spacecraft onboard operational data (e.g., position, velocity, and rotation), and engineering hardware performance data. Enceladus SmallSat Constellation. Our constellation includes eight SmallSat spacecraft in an 8:35 resonant orbit-based formation, leveraging Saturn’s gravitational forces to maintain stable orbits with global coverage around Enceladus. To our knowledge, we simulate the first stable configuration of multiple spacecraft in closed orbits around Enceladus, using a full ephemeris force model (Russell and Lara, 2009). Each spacecraft’s orbit will precess, causing an eastward ground track shift (from an orbiter’s perspective) of each spacecraft for each orbit. However, all spacecraft return to their original positions relative to Enceladus after eight Enceladus revolutions around Saturn. We model communication pathways between SmallSats to understand how information would need to be transmitted across the constellation to enable AI-driven decision-making and resource allocation across the fleet. Capability Demonstration. Our simulated capability demonstration inputs position, velocity, and rotation telemetry from our Enceladus-focused constellation simulations, and mass spectrometry data collected from abiotic and biotic laboratory-analog ocean world experiments (Theiling et al., 2018; Theiling, 2021; Da Poian et al., 2023). Data from these experiments are used to simulate MS measurements and different scenarios of science observations for onboard analysis performed on each of the eight spacecraft. For these demonstrations, we integrate 24 machine learning (ML) algorithms into an onboard intelligence as a ‘knowledge base’, including algorithms evaluating data quality and those predicting (with % confidence) gas composition, ocean aqueous chemistry, and whether the sample was influenced by microbial life. The onboard AI capability is designed to use the knowledge base to come to a consensus-based decision in the interpretation of the observed data in order to request additional action outside of a pre-defined ConOps. Requested actions could include e.g., prioritized downlink to Earth (for analysis by ground-based teams) or follow-on analyses performed across the constellation. The spacecraft’s intelligent onboard planner must then determine whether sufficient resources (e.g., time, power, etc.) are available and weigh the request with mission priorities. In our simulation, the constellation is able to identify potential biosignatures using onboard ML algorithms, evaluate the confidence of that prediction, and perform follow-on analyses across the fleet to confirm the detection, in order to best prepare a transmission of these data to Earth-based teams.

astrobiology↗

LANDSAT-4 image data quality analysis

Methods were developed for estimating point spread functions from image data. Roads and bridges in dark backgrounds are being examined as well as other smoothing methods for reducing noise in the estimated point spread function. Tomographic techniques were used to estimate two dimensional point spread functions. Reformatting software changes were implemented to handle formats for LANDSAT-5 data.

Anuta, P. E.↗

Online Analysis Enhances Use of NASA Earth Science Data

Giovanni, the Goddard Earth Sciences Data and Information Services Center (GES DISC) Interactive Online Visualization and Analysis Infrastructure, has provided researchers with advanced capabilities to perform data exploration and analysis with observational data from NASA Earth observation satellites. In the past 5-10 years, examining geophysical events and processes with remote-sensing data required a multistep process of data discovery, data acquisition, data management, and ultimately data analysis. Giovanni accelerates this process by enabling basic visualization and analysis directly on the World Wide Web. In the last two years, Giovanni has added new data acquisition functions and expanded analysis options to increase its usefulness to the Earth science research community.

Acker, James G.↗

Conflict Detection Performance Analysis for Function Allocation Using Time-Shifted Recorded Traffic Data

The performance of the conflict detection function in a separation assurance system is dependent on the content and quality of the data available to perform that function. Specifically, data quality and data content available to the conflict detection function have a direct impact on the accuracy of the prediction of an aircraft's future state or trajectory, which, in turn, impacts the ability to successfully anticipate potential losses of separation (detect future conflicts). Consequently, other separation assurance functions that rely on the conflict detection function - namely, conflict resolution - are prone to negative performance impacts. The many possible allocations and implementations of the conflict detection function between centralized and distributed systems drive the need to understand the key relationships that impact conflict detection performance, with respect to differences in data available. This paper presents the preliminary results of an analysis technique developed to investigate the impacts of data quality and data content on conflict detection performance. Flight track data recorded from a day of the National Airspace System is time-shifted to create conflicts not present in the un-shifted data. A methodology is used to smooth and filter the recorded data to eliminate sensor fusion noise, data drop-outs and other anomalies in the data. The metrics used to characterize conflict detection performance are presented and a set of preliminary results is discussed.

Guerreiro, Nelson M.↗

Stackfile Database

This software provides storage retrieval and analysis functionality for managing satellite altimetry data. It improves the efficiency and analysis capabilities of existing database software with improved flexibility and documentation. It offers flexibility in the type of data that can be stored. There is efficient retrieval either across the spatial domain or the time domain. Built-in analysis tools are provided for frequently performed altimetry tasks. This software package is used for storing and manipulating satellite measurement data. It was developed with a focus on handling the requirements of repeat-track altimetry missions such as Topex and Jason. It was, however, designed to work with a wide variety of satellite measurement data [e.g., Gravity Recovery And Climate Experiment -- GRACE). The software consists of several command-line tools for importing, retrieving, and analyzing satellite measurement data.

deVarvalho, Robert↗

PersGNN: Applying Topological Data Analysis and Geometric Deep Learning to Structure-Based Protein Function Prediction

Understanding protein structure-function relationships is a key challenge in computational biology, with applications across the biotechnology and pharmaceutical industries. While it is known that protein structure directly impacts protein function, many functional prediction tasks use only protein sequence. In this work, we isolate protein structure to make functional annotations for proteins in the Protein Data Bank in order to study the expressiveness of different structure-based prediction schemes. We present PersGNN - an end-to-end trainable deep learning model that combines graph representation learning with topological data analysis to capture a complex set of both local and global structural features. While variations of these techniques have been successfully applied to proteins before, we demonstrate that our hybridized approach, PersGNN, outperforms either method on its own as well as a baseline neural network that learns from the same information. PersGNN achieves a 9.3% boost in area under the precision recall curve (AUPR) compared to the best individual model, as well as high F1 scores across different gene ontology categories, indicating the transferability of this approach.

Swenson, Nicolas↗