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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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DOE OSTI2023

Uncertainty quantification of a deep learning fuel property prediction model

Deep learning models are being widely used in the field of combustion. Given the black-box nature of typical neural network based models, uncertainty quantification (UQ) is critical to ensure the reliability of predictions as well as the training datasets, and for a principled quantification of noise and its various sources. Deep learning surrogate models for predicting properties of chemical compounds and mixtures have been recently shown to be promising for enabling data-driven fuel design and optimization, with the ultimate goal of improving efficiency and lowering emissions from combustion engines. In this study, UQ is performed for a multi-task deep learning model that simultaneously predicts the research octane number (RON), Motor Octane Number (MON), and Yield Sooting Index (YSI) of pure components and multicomponent blends. The deep learning model is comprised of three smaller networks: Extractor 1, Extractor 2, and Predictor, and a mixing operator. The molecular fingerprints of individual components are encoded via Extractor 1 and Extractor 2, the mixing operator generates fingerprints for mixtures/blends based on linear mixing operation, and the predictor maps the fingerprint to the target properties. Two different classes of UQ methods, Monte Carlo ensemble methods and Bayesian neural networks (BNNs), are employed for quantifying the epistemic uncertainty. Combinations of Bernoulli and Gaussian distributions with DropConnect and DropOut techniques are explored as ensemble methods. All the DropConnect, DropOut and Bayesian layers are applied to the predictor network. Aleatoric uncertainty is modeled by assuming that each data point has an independent uncertainty associated with it. The results of the UQ study are further analyzed to compare the performance of BNN and ensemble methods. Although this study is confined to UQ of fuel property prediction, the methodologies are applicable to other deep learning frameworks that are being widely used in the combustion community.

33 ADVANCED PROPULSION SYSTEMS↗

NASA NTRS2009

An Intelligent Archive Testbed Incorporating Data Mining

Many significant advances have occurred during the last two decades in remote sensing instrumentation, computation, storage, and communication technology. A series of Earth observing satellites have been launched by U.S. and international agencies and have been operating and collecting global data on a regular basis. These advances have created a data rich environment for scientific research and applications. NASA s Earth Observing System (EOS) Data and Information System (EOSDIS) has been operational since August 1994 with support for pre-EOS data. Currently, EOSDIS supports all the EOS missions including Terra (1999), Aqua (2002), ICESat (2002) and Aura (2004). EOSDIS has been effectively capturing, processing and archiving several terabytes of standard data products each day. It has also been distributing these data products at a rate of several terabytes per day to a diverse and globally distributed user community (Ramapriyan et al. 2009). There are other NASA-sponsored data system activities including measurement-based systems such as the Ocean Data Processing System and the Precipitation Processing system, and several projects under the Research, Education and Applications Solutions Network (REASoN), Making Earth Science Data Records for Use in Research Environments (MEaSUREs), and the Advancing Collaborative Connections for Earth-Sun System Science (ACCESS) programs. Together, these activities provide a rich set of resources constituting a value chain for users to obtain data at various levels ranging from raw radiances to interdisciplinary model outputs. The result has been a significant leap in our understanding of the Earth systems that all humans depend on for their enjoyment, livelihood, and survival. The trend in the community today is towards many distributed sets of providers of data and services. Despite this, visions for the future include users being able to locate, fuse and utilize data with location transparency and high degree of interoperability, and being able to convert data to information and usable knowledge in an efficient, convenient manner, aided significantly by automation (Ramapriyan et al. 2004; NASA 2005). We can look upon the distributed provider environment with capabilities to convert data to information and to knowledge as an Intelligent Archive in the Context of a Knowledge Building system (IA-KBS). Some of the key capabilities of an IA-KBS are: Virtual Product Generation, Significant Event Detection, Automated Data Quality Assessment, Large-Scale Data Mining, Dynamic Feedback Loop, and Data Discovery and Efficient Requesting (Ramapriyan et al. 2004).

Ramapriyan, H.↗

DOE OSTI2023

Advanced Research Directions on AI for Science, Energy, and Security: Report on Summer 2022 Workshops

Over the past decade, fundamental changes in artificial intelligence (AI)—from foundational to applied—have delivered dramatic insights across a wide breadth of U.S. Department of Energy (DOE) mission space. AI is helping to augment and improve scientific and engineering workflows (e.g., for control, design, and dramatic performance gains through surrogate models) in national security, the Office of Science, and DOE’s applied energy programs. The progress and potential for AI in DOE science was captured in the 2020 “AI for Science” report from the DOE laboratory community in collaboration with academia and industry. Specific scientific areas ready to further leverage the power of AI ranged from the scale and performance of computational models to data analysis to creating new classes of observations using computer vision. Since that report, the scale and scope of scientific AI have accelerated, revealing new, emergent properties that yield insights that go beyond enabling opportunities to being potentially transformative in the way that scientific problems are posed and solved. Thus, under the guidance of both the Office of Science (SC) and the National Nuclear Security Administration (NNSA), the DOE national laboratories organized a series of workshops in 2022 to gather input on new and rapidly emerging opportunities and challenges of scientific AI. This 2023 report is a synthesis of those workshops. The scientific community believes AI can have a foundational impact on a broad range of DOE missions, including science, energy, and national security. Further, DOE has unique capabilities that enable the community to drive progress in scientific use of AI, building on long-standing DOE strengths and investments in computation, data, and communications infrastructure, spanning the Energy Sciences Network (ESnet), the Exascale Computing Project (ECP), and integrative programs such as the NNSA Office of Defense Programs Advanced Simulation and Computing (ASC) and the SC Scientific Discovery through Advanced Computing (SciDAC) programs.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1994

Operations on Graphical Models with Plates

This paper explains how graphical models, for instance Bayesian or Markov networks, can be extended to model problems in data analysis and learning. This provides a unified framework that combines lessons learned from the artificial intelligence, statistical and connectionist communities. This also offers a set of principles for developing a software generator for data analysis, whereby a learning or discovery system can be compiled from specifications. Many of the popular learning algorithms can be compiled in this way from graphical specifications. While in a sense this paper is a multidisciplinary review of learning, the main contribution here is the presentation of the material within the unifying framework of graphical models, and the observation that, as a result, the process of developing learning algorithms can be partly automated.

Buntine, Wray L.↗

NASA NTRS2019

SLR Data: from Station to User

The ILRS provides laser ranging data and products on an operational basis to geodesy analysts as well as a broader scientific community. ILRS is one of four services within the International Association for Geodesy (IAG) supporting space geodesy. IAG established these services to facilitate international cooperation and scientific research: Networks, Data centers, Analysis groups. Services perform successful operations through cooperation of many international organizations, leveraging their respective resources to all levels of service functionality.

Noll, Carey↗

NASA NTRSDate not supplied

Graph Convolutional Network-Strengthened Topic Modeling for Scientific Papers

Machine learning has been woven into statistics to modernize topic modeling over textual documents written in natural language, and scientific paper search and recommendation can consequently offer higher accuracy instead of counting on traditional keyword-based search. However, topic distribution of a paper resulted from existing topic modeling techniques only relies on the statistics of words contained in the paper itself. We argue that community users’ views of a paper may also provide insights at the time of recommendation. For example, if a paper on fake image detection has been cited heavily by machine learning papers, such a feature should be absorbed in the embedding of this paper, so that it can be recommended for future query on machine learning. In this paper, we present a Graph Convolutional Network-strengthened Topic Modeling (GCN-TM) method, which employs GCN technique to refine topic modeling of scientific papers. A citation-oriented knowledge graph is constructed, and topic modeling is mapped to feature embedding of the comprising papers. On top of its own topics carried in its content, each paper learns topics from its neighbors and revise its embedding accordingly. Our empirical studies over real-life scientific literature has proved the necessity and effectiveness of our proposed approach.

Jia Zhang↗

NASA NTRS2005

Automated Wildfire Detection Through Artificial Neural Networks

Wildfires have a profound impact upon the biosphere and our society in general. They cause loss of life, destruction of personal property and natural resources and alter the chemistry of the atmosphere. In response to the concern over the consequences of wildland fire and to support the fire management community, the National Oceanic and Atmospheric Administration (NOAA), National Environmental Satellite, Data and Information Service (NESDIS) located in Camp Springs, Maryland gradually developed an operational system to routinely monitor wildland fire by satellite observations. The Hazard Mapping System, as it is known today, allows a team of trained fire analysts to examine and integrate, on a daily basis, remote sensing data from Geostationary Operational Environmental Satellite (GOES), Advanced Very High Resolution Radiometer (AVHRR) and Moderate Resolution Imaging Spectroradiometer (MODIS) satellite sensors and generate a 24 hour fire product for the conterminous United States. Although assisted by automated fire detection algorithms, N O M has not been able to eliminate the human element from their fire detection procedures. As a consequence, the manually intensive effort has prevented NOAA from transitioning to a global fire product as urged particularly by climate modelers. NASA at Goddard Space Flight Center in Greenbelt, Maryland is helping N O M more fully automate the Hazard Mapping System by training neural networks to mimic the decision-making process of the frre analyst team as well as the automated algorithms.

Miller, Jerry↗

DOE OSTI2021

Evaluation of precipitation indices in suites of dynamically and statistically downscaled regional climate models over Florida

Abstract The present work evaluates historical precipitation and its indices defined by the Expert Team on Climate Change Detection and Indices (ETCCDI) in suites of dynamically and statistically downscaled regional climate models (RCMs) against NOAA’s Global Historical Climatology Network Daily (GHCN-Daily) dataset over Florida. The models examined here are: (1) nested RCMs involved in the North American CORDEX (NA-CORDEX) program, (2) variable resolution Community Earth System Models (VR-CESM), (3) Coupled Model Intercomparison Project phase 5 (CMIP5) models statistically downscaled using localized constructed analogs (LOCA) technique. To quantify observational uncertainty, three in situ-based (PRISM, Livneh, CPC) and three reanalysis (ERA5, MERRA2, NARR) datasets are also evaluated against the station data. The reanalyses and dynamically downscaled RCMs generally underestimate the magnitude of the monthly precipitation and the frequency of the extreme rainfall in summer. The models forced with CanESM2 miss the phase of the seasonality of extreme precipitation. All models and reanalyses severely underestimate both the mean and interannual variability of mean wet-day precipitation (SDII), consecutive dry days (CDD), and overestimate consecutive wet days (CWD). Metric analysis suggests large uncertainty across NA-CORDEX models. Both the LOCA and VR-CESM models perform better than the majority of models. Overall, RegCM4 and WRF models perform poorer than the median model performance. The performance uncertainty across models is comparable to that in the reanalyses. Specifically, NARR performs poorer than the median model performance in simulating the mean indices and MERRA2 performs worse than the majority of models in capturing the interannual variability of the indices.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

dCache project status and update

The dCache project delivers an open-source, massively scalable, distributed storage system deployed internationally to satisfy today’s scientists’ ever-demanding storage requirements. Its multifaceted approach supports different use cases with the same storage, from high throughput data ingest, data sharing over wide area networks, efficient access from HPC clusters, and longterm data persistence on tertiary storage. Even though dCache was initially developed for HEP experiments, today, it is used by various scientific communities, including astrophysics, biomed, and life science, each with their specific requirements. To match the needs of these new communities and keep up with the scaling demands of existing experiments, dCache is permanently evolving. With this contribution, we would like to highlight the recent developments in dCache regarding integration with CERN Tape Archive (CTA), advanced metadata handling, token-based authorization support, bulk API for QoS transitions, REST API to control interaction with the tape system, and future development directions.

Mkrtchyan, Tigran [DESY]↗

DOE OSTI2024

Mobility Energy Productivity Evaluation of On-Demand Transit: A Case Study in Arlington, Texas

On-demand transit (ODT) systems are increasing in number and size. To evaluate and quantify outcomes, the research team utilizes the mobility energy productivity (MEP) metric, which is a holistic accessibility measure, to analyze and compare the mobility of various transportation modes in Arlington, Texas. The MEP tool is applied to the ODT system in Arlington, Texas, as well as to five existing transportation modes (driving, transportation network company, transit, biking, and walking). Six ODT scenarios are also analyzed and compared. The analysis is focused on the opportunities that an ODT system presents for transportation disadvantaged communities (DACs) with low rates of car ownership. Although driving received the highest MEP score—a finding typical for a U.S.A. city— the results for the ODT system reveal that it serves those in DACs effectively, helping to achieve an equity design goal. ODT improved the average MEP score across the service area by 83% when considering only accessible, nonprivate vehicle modes (biking, transit, and ODT). For the ODT scenarios, decreasing the wait time by 50% compared with the baseline scenario led to a nearly 160% increase in the MEP score, whereas increasing the ODT travel speed by 21% led to an 80% improvement in the MEP score. As analyzed through the MEP tool, here this paper demonstrates how ODT can enhance mobility, particularly for DACs. The results of an MEP analysis can be used by researchers and transit agencies to compare transportation modes and improve the effectiveness of transportation systems across a service area.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2023

Deep Green: Structural and Functional Genomic Characterization of Conserved Unannotated Green Lineage Proteins

Our overall objective is to improve and increase functional and structural predictions for a growing number of plant proteins of unknown structure and function (the Deep Green proteins), and to make our predictive data useful and accessible to the larger research community. The project is divided into five major objectives which include 1) Assembly and curation of Deep Green candidate protein sets; 2) in silico structural and functional predictions and network analyses; 3) assembly and validation of reverse genetic resources in Chlamydomonas reinhardtii (Chlamydomonas); 4) high throughput functional genomics characterization and prioritization in Chlamydomonas; and 5) structural validation of selected candidates and functional validation in two important reference plant species, Arabidopsis thaliana (Arabidopsis) and Setaria viridis (Setaria).

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Discovery Science and Inertial Fusion Energy Research at the Jupiter Laser Facility (Research Performance Progress Report)

The goal of this project is to provide operational support to run the Jupiter Laser Facility within the LaserNetUS network to achieve the following four objectives: • Develop new science, techniques, and platforms for discovery science and IFE research, in partnership with academia, other LaserNetUS nodes, and the greater community. • Advance the development of secondary sources of photons and particles for applications relevant to discovery science and IFE; • Serve as a testbed for new laser, optical, target, and diagnostic capabilities that will advance IFE; • Attract, train, and retain talent in high-energy-density and laser science that will be essential in furthering development of IFE, and help build new collaborations between national laboratory and academic researchers. We have accomplished our four objectives by: • Providing access to the three JLF platforms (Titan, Janus, and COMET) to LaserNetUS users after their proposals have been independently reviewed and ranked by the LaserNetUS PRP; • Providing expertise and technical capabilities to support focused science research thrusts at the facility; • Promoting and maintaining technical relationships and collaborations with other members of the LaserNetUS community to nurture and grow the discovery science and IFE workforce— especially students and early career scientists—on LaserNetUS facilities. • Augmenting JLF with specific improvements while coordinating efforts with LLNL organizations and collaborators to provide users with optimal laser, target, and diagnostic resources to help them maximize technical impact.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1973

The International Planetary Patrol Program - An assessment of the first three years.

Day-to-day and hour-to-hour changes in the large-scale atmospheric and surface features of the planets can now be studied more effectively than previously possible. Since 1969 a network of observatories has obtained almost uninterrupted photographic coverage during all apparitions of Jupiter and Mars, plus some of Venus. Patrol films and catalogs are available to the scientific community. Recent or current analyses include the distribution and motion of clouds on Mars, the development and decay of Martian dust storms, the seasonal, diurnal, and random fluctuations in contrast between adjacent light and dark regions on Mars, the detection of vertical shear in the Jovian atmosphere, the longitudinal oscillation of the Red Spot, the dependence of rotation period on xenographic latitude and on time, the eruption and spread of south equatorial belt disturbances, and the retrograde circulation of the Venus cloud deck.

Baum, W. A.↗

NASA NTRS1986

Earth and environmental science in the 1980's: Part 1: Environmental data systems, supercomputer facilities and networks

Overview descriptions of on-line environmental data systems, supercomputer facilities, and networks are presented. Each description addresses the concepts of content, capability, and user access relevant to the point of view of potential utilization by the Earth and environmental science community. The information on similar systems or facilities is presented in parallel fashion to encourage and facilitate intercomparison. In addition, summary sheets are given for each description, and a summary table precedes each section.

Source record↗

NASA NTRS1989

Encouraging the pursuit of advanced degrees in science and engineering: Top-down and bottom-up methodologies

The MassPEP/NASA Graduate Research Development Program (GRDP) whose objective is to encourage Black Americans, Mexican Americans, American Indians, Puerto Ricans, and Pacific Islanders to pursue graduate degrees in science and engineering is described. The GRDP employs a top-down or goal driven methodology through five modules which focus on research, graduate school climate, technical writing, standardized examinations, and electronic networking. These modules are designed to develop and reinforce some of the skills necessary to seriously consider the goal of completing a graduate education. The GRDP is a community-based program which seeks to recruit twenty participants from a pool of Boston-area undergraduates enrolled in engineering and science curriculums and recent graduates with engineering and science degrees. The program emphasizes that with sufficient information, its participants can overcome most of the barriers perceived as preventing them from obtaining graduate science and engineering degrees. Experience has shown that the top-down modules may be complemented by a more bottom-up or event-driven methodology. This approach considers events in the academic and professional experiences of participants in order to develop the personal and leadership skills necessary for graduate school and similar endeavors.

Maddox, Anthony B.↗

NASA NTRS2004

Low-earth-orbit Satellite Internet Protocol Communications Concept and Design

This report presents a design concept for a low-Earth-orbit end-to-end Internet-Protocol- (IP-) based mission. The goal is to maintain an up-to-date communications infrastructure that makes communications seamless with the protocols used in terrestrial computing. It is based on the premise that the use of IPs will permit greater interoperability while also reducing costs and providing users the ability to retrieve data directly from the satellite. However, implementing an IP-based solution also has a number of challenges, since wireless communications have different characteristics than wired communications. This report outlines the design of a low-Earth-orbit end-to-end IP-based mission; the ideas and concepts of Space Internet architectures and networks are beyond the scope of this document. The findings of this report show that an IP-based mission is plausible and would provide benefits to the user community, but the outstanding issues must be resolved before a design can be implemented.

Slywezak, Richard A.↗

NASA NTRS2012

Science Traverses in the Canadian High Arctic

The presentation is divided into three parts. Part I is an overview of early expeditions to the High Arctic, and their political consequences at the time. The focus then shifts to the Geological Survey of Canada s mapping program in the North (Operation Franklin), and to the Polar Continental Shelf Project (PCSP), a unique organization that resides within the Government of Canada s Department of Natural Resources, and supports mapping projects and science investigations. PCSP is highlighted throughout the presentation so a description of mandate, budgets, and support infrastructure is warranted. In Part II, the presenter describes the planning required in advance of scientific deployments carried out in the Canadian High Arctic from the perspective of government and university investigators. Field operations and challenges encountered while leading arctic field teams in fly camps are also described in this part of the presentation, with particular emphasis on the 2008 field season. Part III is a summary of preliminary results obtained from a Polar Survey questionnaire sent out to members of the Arctic research community in anticipation of the workshop. The last part of the talk is an update on the analog program at the Canadian Space Agency, specifically, the Canadian Analog Research Network (CARN) and current activities related to Analog missions, 2009-2010.

Williamson, Marie-Claude↗

DOE OSTI2022

Inverse deep learning methods and benchmarks for artificial electromagnetic material design

In this work we investigate the use of deep inverse models (DIMs) for designing artificial electromagnetic materials (AEMs) – such as metamaterials, photonic crystals, and plasmonics – to achieve some desired scattering properties (e.g., transmission or reflection spectrum). DIMs are deep neural networks (i.e., deep learning models) that are specially-designed to solve ill-posed inverse problems. There has recently been tremendous growth in the use of DIMs for solving AEM design problems however there has been little comparison of these approaches to examine their absolute and relative performance capabilities. In this work we compare eight state-of-the-art DIMs on three unique AEM design problems, including two models that are novel to the AEM community. Our results indicate that DIMs can rapidly produce accurate designs to achieve a custom desired scattering on all three problems. Although no single model always performs best, the Neural-Adjoint approach achieves the best overall performance across all problem settings. As a final contribution we show that not all AEM design problems are ill-posed, and in such cases a conventional deep neural network can perform better than DIMs. We recommend that a deep neural network is always employed as a simple baseline approach when addressing AEM design problems. Furthermore, we publish python code for our AEM simulators and our DIMs to enable easy replication of our results, and benchmarking of new DIMs by the AEM community.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗