Search NASA⌕ Search

SEARCH · Search NASA

Results for “topic modeling”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,027 records · Page 57
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Carbon-Based Metal-Free ORR Electrocatalysts for Fuel Cells: Past, Present, and Future

Replacing precious platinum with earth-abundant materials in fuel cells for oxygen reduction reaction (ORR) has been the objective worldwide for several decades. In last ten years, the carbon-based metal-free ORR electrocatalysts is the fastest-growing branch in this area. Great progresses have been made in promoting the performance and understanding the underlying ORR process. This article presents a comprehensive review of this filed by emphasizing on the emerging issues such as the design and controllable construction of porous structures and doping configurations, mechanistic understanding from the model catalysts and the combined experimental and theoretical studies, and more importantly, the performance evaluation in a full cell. Centering these topics, the most up-to-date results are presented, along with the remarks and perspectives for the future development of carbon-based metal-free ORR electrocatalysts.

Yang, Lijun↗
DOE OSTI2022

Hierarchical Conceptual Model Event and Activity Domains for Forecasting State-Sponsored Civil Nuclear Power Activities

In FY20, the Savannah River National Laboratory and the Sanghani Center for Artificial Intelligence and Data Analytics (Virginia Tech) entered a collaboration funded by the Department of Energy’s Office of Defense Nuclear Nonproliferation Research and Development to develop a machine learning based modeling pipeline to extract proliferation events of interest from open data sources. The prototype modeling pipeline that was developed relies on the use of time dependent word embedding models to identify contextual shifts in key words and phrases that act as indicators of events of interest. The FY20- 21 efforts were focused on a narrow topical domain of forecasting “fissile core fabrication” at the Savannah River Site prior to its official announcement in 2018. In FY22, the research team was funded to continue development of the modeling pipeline by applying it to the problem of forecasting new, and/or significant changes to existing, civil nuclear power reactors around the world. In this effort, the development will focus on proving applicability to a broader topical domain and in data environments that may contain more sparse information, relative to the United States. In this report, the worldwide landscape of civil nuclear reactors is outlined, the timeline of interest is defined, and a hierarchical conceptual model is established to identify the activity domains of interest and the event domains of interest. This preliminary effort will guide the curation of a glossary of key terms for data acquisition, as well as the downstream modeling efforts.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Transferring a Molecular Foundation Model for Polymer Property Predictions

Transformer-based large language models have remarkable potential to accelerate design optimization for applications such as drug development and material discovery. Self-supervised pretraining of transformer models requires large-scale data sets, which are often sparsely populated in topical areas such as polymer science. Further, state-of-the-art approaches for polymers conduct data augmentation to generate additional samples but unavoidably incur extra computational costs. In contrast, large-scale open-source data sets are available for small molecules and provide a potential solution to data scarcity through transfer learning. In this work, we show that using transformers pretrained on small molecules and fine-tuned on polymer properties achieves comparable accuracy to those trained on augmented polymer data sets for a series of benchmark prediction tasks.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Programming Models in HPC

These are the slides for a presentation on programming models in HPC, at the Los Alamos National Laboratory's Parallel Computing Summer School. The following topics are covered: Flynn's Taxonomy of computer architectures; single instruction single data; single instruction multiple data; multiple instruction multiple data; address space organization; definition of Trinity (Intel Xeon-Phi is a MIMD architecture); single program multiple data; multiple program multiple data; ExMatEx workflow overview; definition of a programming model, programming languages, runtime systems; programming model and environments; MPI (Message Passing Interface); OpenMP; Kokkos (Performance Portable Thread-Parallel Programming Model); Kokkos abstractions, patterns, policies, and spaces; RAJA, a systematic approach to node-level portability and tuning; overview of the Legion Programming Model; mapping tasks and data to hardware resources; interoperability: supporting task-level models; Legion S3D execution and performance details; workflow, integration of external resources into the programming model.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Theory Techniques for Precision Physics -- Snowmass 2021 TF06 Topical Group Report

The wealth of experimental data collected at laboratory experiments suggests that there is some scale separation between the Standard Model (SM) and phenomena beyond the SM (BSM). New phenomena can manifest itself as small corrections to SM predictions, or as signals in processes where the SM predictions vanish or are exceedingly small. This makes precise calculations of the SM expectations essential, in order to maximize the sensitivity of current and forthcoming experiments to BSM physics. Here, this topical group report highlights some past and forthcoming theory developments critical for maximizing the sensitivity of the experimental program to understanding Nature at the shortest distances.

Boughezal, Radja↗
DOE OSTI2022

A review of computing-based automated fault detection and diagnosis of heating, ventilation and air conditioning systems

We report faults in Heating, Ventilation, and Air Conditioning (HVAC) systems of buildings result in significant energy waste in building operation. With fast-growing sensing data availability and advancement in computing, computational modeling has demonstrated strong capability to detect and diagnose HVAC system faults, hence, ensuring efficient building operation. This paper comprehensively reviews the state-of-the-art computing-based fault detection and diagnosis (FDD) for HVAC systems. Overall, the reviewed computing-based FDD methods are classified as two major approaches: knowledge-based and data-driven approaches. We then identify multiple important topics, including data availability, training data size, data quality, approach generality, capability, interpretability, and required modeling efforts, along with corresponding metrics to summarize the most updated FDD development. Generally, the knowledge-based approaches are further divided as physics-based modeling, Diagnostic Bayesian Network, and performance indicator-based methods while data-driven approaches include supervised learning, unsupervised learning, and regression and statistics-based methods. State-of-the-art FDD development, remaining challenges, and future research directions are further discussed to push forward FDD in practice. Availability of fault data, capability of existing methods to deal with complex fault situations (such as simultaneous faults), modeling interpretability for data-driven methods, and required engineering efforts for physics-based methods are identified as remaining challenges in FDD development. Improving modeling fidelity and reducing modeling efforts are essential for applying physics-based methods in real buildings. Meanwhile, addressing fault data availability, increasing algorithm adaptability, and handling multiple faults are essential to further enhance the applicability of data-driven FDD approaches.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS2000

Correlation Between Material Properties of Ferroelectric Thin Films and Design Parameters for Microwave Device Applications: Modeling Examples and Experimental Verification

The application of thin ferroelectric films for frequency and phase agile components is the topic of interest of many research groups worldwide. Consequently, proof-of-concepts (POC) of different tunable microwave components using either (HTS, metal)/ferroelectric thin film/dielectric heterostructures or (thick, thin) film "flip-chip" technology have been reported. Either as ferroelectric thin film characterization tools or from the point of view of circuit implementation approach, both configurations have their respective advantages and limitations. However, we believe that because of the progress made so far using the heterostructure (i.e., multilayer) approach, and due to its intrinsic features such as planar configuration and monolithic integration, a study on the correlation of circuit geometry aspects and ferroelectric material properties could accelerate the insertion of this technology into working systems. In this paper, we will discuss our study performed on circuits based on microstrip lines at frequencies above 10 GHz, where the multilayer configuration offers greater ease of insertion due to circuit's size reduction. Modeled results of relevant circuit parameters such as the characteristic impedance, effective dielectric constant, and attenuation as a function of ferroelectric film's dielectric constant, tans, and thickness, will be presented for SrTiO3 and Ba(x)Sr(1-x)TiO3 ferroelectric films. A comparison between the modeled and experimental data for some of these parameters will be presented.

Miranda, Felix A.↗
DOE OSTI2019

Modeling Mesoscale Processes of Scalable Synthesis (Final Report)

The main objective of the center is to develop tools that can help for the understanding of equilibrium and non-equilibrium properties of nanoparticles in aqueous electrolytes. To achieve this goal, we need to develop new computational methodologies that can integrate molecular level description such as the electronic structure analysis to mesoscale description such as generalized hydrodynamics. The challenge is to develop systematic coarse graining techniques that can adaptively choose the level of description needed for the particular task. For example, if bonding breaking is involved, then one should use appropriate models from quantum mechanics to accurately model the time scale and molecular mechanism for the breaking process. However, to model transport process or the process of self-assembly, much less detailed models can be used. There are two main components to this task. One is to develop accurate models that bridge different levels of description. The classical example is the QM/MM model that bridges quantum mechanics and molecular mechanics for studying chemical reactions of large molecules. This work was awarded the Nobel prize this year. For our purpose, we also need to develop methods that bridge molecular and continuum levels of description. Another main task is to develop systematic coarse-graining methods that can give rise to accurate mesoscale and macroscale models, starting from more detailed models at the atomic or molecular scale. None of these ideas are new. By now they have been fashionable topics for quite some time. But neither problem is satisfactorily resolved. The main problem is that uncontrolled approximations are used. As a result, we have very little idea about the validity and accuracy of these models. The main purpose of the center is to exploit the Mori-Zwanzig formalism to achieve the goals stated above. The Mori-Zwanzig formalism is a general tool for eliminating degrees of freedom from existing models. What is attractive about this formalism is its generality. The flip side is that it is also somewhat of a tautology. In order to make it a practical tool, one has to make approximations and this is where the trouble comes. Instead of focusing on Mori-Zwanzig formalism, the PI proposes to study the closely related renormalization group formalism (RG). Like Mori-Zwanzig, RG is a general strategy for eliminating small scale degrees of freedom in a model. Unlike Mori-Zwanzig, RG has the advantage that at least for some problems, one can write a PDE (partial differential equation) type of model for the exact RG flow, without any approximation. This gives us a solid starting point for discussing and analyzing approximations. The PI studied approximate RG flows for turbulent diffusion and related problems. However, extending it to more practical problems proved to be hard. The second line that the PI has pursued is to develop special numerical algorithms for studying particularly important events for dynamics processes in meso-scale systems. The PI succeeded in doing so for the problem of understanding phase transition in metallic systems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

A Model Predictive Control to Improve Grid Resilience

The following article details a model predictive control (MPC) to improve grid resilience when faced with variable generation resources. This topic is of significant interest to utility power systems where distributed intermittent energy sources will increase significantly and be relied on for electric grid ancillary services. Previous work on MPCs has focused on narrowly targeted control applications such as improving electric vehicle (EV) charging infrastructure or reducing the cost of integrating Energy Storage Systems (ESSs) into the grid. In contrast, this article develops a comprehensive treatment of the construction of an MPC tailored to electric grids and then applies it integration of intermittent energy resources. To accomplish this, the following article includes a description of a reduced order model (ROM) of an electric power grid based on a circuit model, an optimization formulation that describes the MPC, a collocation method for solving linear time-dependent differential algebraic equations (DAEs) that result from the ROM, and an overall strategy for iteratively refining the behavior of the MPC. Next, the algorithm is validated using two separate numerical experiments. First, the algorithm is compared to an existing MPC code and the results are verified by a numerically precise simulation. It is shown that this algorithm produces a control comparable to existing algorithms and the behavior of the control carefully respects the bounds specified. Second, the MPC is applied to a small nine bus system that contains a mix of turbine-spinning-machine-based and intermittent generation in order to demonstrate the algorithm’s utility for resource planning and control of intermittent resources. This study demonstrates how the MPC can be tuned to change the behavior of the control, which can then assist with the integration of intermittent resources into the grid. The emphasis throughout the paper is to provide systematic treatment of the topic and produce a novel nonlinear control compatible design framework applicable to electric grids and the control of variable resources. This differs from the more targeted application-based focus in most presentations.

microgrid↗
NASA NTRSDate not supplied

Artificial Intelligence (AI) Methods for Automating the Impact Tool Evidence Library

INTRODUCTION: The development of the Evidence Library for use with the IMPACT (Informing Mission Planning via Analysis of Complex Tradespaces) probability risk assessment tool involved a multilayered, time intensive process of data collection and analysis by subject matter experts from the Exploration Medical Capability (ExMC) Element Clinical and Science Team to produce clinical findings forms (CliFFs) for 120 medical conditions. Artificial Intelligence Large Language Models (LLMs) can be leveraged to facilitate this process, thus reducing labor and time. TOPIC: CliFFs contain information about medical conditions as they pertain to spaceflight. This includes condition definitions, incidence data, crew task impairment estimates caused by conditions, treatment protocols and references to literature used for gathering condition evidence. Guided by the Evidence Library Methods document and the CliFF development instructions, a team has leveraged Microsoft Azure AI services and open-source documentation to construct an AI-assisted automated pipeline for CliFF development. This process is designed to search, retrieve, and evaluate the applicable data, and ultimately generate a completed CliFF. The LLM evaluates the relevance of each of the source materials to spaceflight, either as direct evidence or as an analog. The model extracts keywords and generates brief summaries to enhance search and retrieval in later stages of CliFF development. For instance, it can calculate epidemiological statistical data, such as incidence rates and the likelihood of best or worst-case scenarios. APPLICATION: Large Language Models (LLMs) can efficiently summarize large amounts of text. Leveraging this technology will automate data retrieval and evidence gathering for medical databases, like the IMPACT tool, by aiding in the labor-intensive process of analyzing large bodies of literature and organizing it into a formatted document like a CliFF. This added efficiency will enable expeditious expansion of the Evidence Library with additional medical conditions and update previous CLiFFs as new technology becomes available.

Ali Al↗
DOE OSTI2015

ASCR Cybersecurity for Scientific Computing Integrity - Research Pathways and Ideas Workshop

At the request of the U.S. Department of Energy's (DOE) Office of Science (SC) Advanced Scientific Computing Research (ASCR) program office, a workshop was held June 2-3, 2015, in Gaithersburg, MD, to identify potential long term (10 to +20 year) cybersecurity fundamental basic research and development challenges, strategies and roadmap facing future high performance computing (HPC), networks, data centers, and extreme-scale scientific user facilities. This workshop was a follow-on to the workshop held January 7-9, 2015, in Rockville, MD, that examined higher level ideas about scientific computing integrity specific to the mission of the DOE Office of Science. Issues included research computation and simulation that takes place on ASCR computing facilities and networks, as well as network-connected scientific instruments, such as those run by various DOE Office of Science programs. Workshop participants included researchers and operational staff from DOE national laboratories, as well as academic researchers and industry experts. Participants were selected based on the submission of abstracts relating to the topics discussed in the previous workshop report [1] and also from other ASCR reports, including "Abstract Machine Models and Proxy Architectures for Exascale Computing" [27], the DOE "Preliminary Conceptual Design for an Exascale Computing Initiative" [28], and the January 2015 machine learning workshop [29]. The workshop was also attended by several observers from DOE and other government agencies. The workshop was divided into three topic areas: (1) Trustworthy Supercomputing, (2) Extreme-Scale Data, Knowledge, and Analytics for Understanding and Improving Cybersecurity, and (3) Trust within High-end Networking and Data Centers. Participants were divided into three corresponding teams based on the category of their abstracts. The workshop began with a series of talks from the program manager and workshop chair, followed by the leaders for each of the three topics and a representative of each of the four major DOE Office of Science Advanced Scientific Computing Research Facilities: the Argonne Leadership Computing Facility (ALCF), the Energy Sciences Network (ESnet), the National Energy Research Scientific Computing Center (NERSC), and the Oak Ridge Leadership Computing Facility (OLCF). The rest of the workshop consisted of topical breakout discussions and focused writing periods that produced much of this report.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2006

Practical Application of Model-based Programming and State-based Architecture to Space Missions

A viewgraph presentation to develop models from systems engineers that accomplish mission objectives and manage the health of the system is shown. The topics include: 1) Overview; 2) Motivation; 3) Objective/Vision; 4) Approach; 5) Background: The Mission Data System; 6) Background: State-based Control Architecture System; 7) Background: State Analysis; 8) Overview of State Analysis; 9) Background: MDS Software Frameworks; 10) Background: Model-based Programming; 10) Background: Titan Model-based Executive; 11) Model-based Execution Architecture; 12) Compatibility Analysis of MDS and Titan Architectures; 13) Integrating Model-based Programming and Execution into the Architecture; 14) State Analysis and Modeling; 15) IMU Subsystem State Effects Diagram; 16) Titan Subsystem Model: IMU Health; 17) Integrating Model-based Programming and Execution into the Software IMU; 18) Testing Program; 19) Computationally Tractable State Estimation & Fault Diagnosis; 20) Diagnostic Algorithm Performance; 21) Integration and Test Issues; 22) Demonstrated Benefits; and 23) Next Steps

Mission Data System (MDS)↗
DOE OSTI2024

Perspectives on AI Architectures and Codesign for Earth System Predictability

Abstract Recently, the U.S. Department of Energy (DOE), Office of Science, Biological and Environmental Research (BER), and Advanced Scientific Computing Research (ASCR) programs organized and held the Artificial Intelligence for Earth System Predictability (AI4ESP) workshop series. From this workshop, a critical conclusion that the DOE BER and ASCR community came to is the requirement to develop a new paradigm for Earth system predictability focused on enabling artificial intelligence (AI) across the field, laboratory, modeling, and analysis activities, called model experimentation (ModEx). BER’s ModEx is an iterative approach that enables process models to generate hypotheses. The developed hypotheses inform field and laboratory efforts to collect measurement and observation data, which are subsequently used to parameterize, drive, and test model (e.g., process based) predictions. A total of 17 technical sessions were held in this AI4ESP workshop series. This paper discusses the topic of the AI Architectures and Codesign session and associated outcomes. The AI Architectures and Codesign session included two invited talks, two plenary discussion panels, and three breakout rooms that covered specific topics, including 1) DOE high-performance computing (HPC) systems, 2) cloud HPC systems, and 3) edge computing and Internet of Things (IoT). We also provide forward-looking ideas and perspectives on potential research in this codesign area that can be achieved by synergies with the other 16 session topics. These ideas include topics such as 1) reimagining codesign, 2) data acquisition to distribution, 3) heterogeneous HPC solutions for integration of AI/ML and other data analytics like uncertainty quantification with Earth system modeling and simulation, and 4) AI-enabled sensor integration into Earth system measurements and observations. Such perspectives are a distinguishing aspect of this paper. Significance Statement This study aims to provide perspectives on AI architectures and codesign approaches for Earth system predictability. Such visionary perspectives are essential because AI-enabled model-data integration has shown promise in improving predictions associated with climate change, perturbations, and extreme events. Our forward-looking ideas guide what is next in codesign to enhance Earth system models, observations, and theory using state-of-the-art and futuristic computational infrastructure.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Perspectives on AI Architectures and Co-design for Earth System Predictability

Recently, the U.S. Department of Energy (DOE), Office of Science, Biological and Environmental Research (BER), and Advanced Scientific Computing Research (ASCR) programs organized and held the Artificial Intelligence for Earth System Predictability (AI4ESP) workshop series. From this workshop, a critical conclusion that the DOE BER and ASCR community came to is the requirement to develop a new paradigm for Earth system predictability focused on enabling artificial intelligence (AI) across the field, laboratory, modeling, and analysis activities, called model experimentation (ModEx). BER’s ModEx is an iterative approach that enables process models to generate hypotheses. The developed hypotheses inform field and laboratory efforts to collect measurement and observation data, which are subsequently used to parameterize, drive, and test model (e.g., process based) predictions. A total of 17 technical sessions were held in this AI4ESP workshop series. This paper discusses the topic of the AI Architectures and Codesign session and associated outcomes. The AI Architectures and Codesign session included two invited talks, two plenary discussion panels, and three breakout rooms that covered specific topics, including 1) DOE high-performance computing (HPC) systems, 2) cloud HPC systems, and 3) edge computing and Internet of Things (IoT). We also provide forward-looking ideas and perspectives on potential research in this codesign area that can be achieved by synergies with the other 16 session topics. These ideas include topics such as 1) reimagining codesign, 2) data acquisition to distribution, 3) heterogeneous HPC solutions for integration of AI/ML and other data analytics like uncertainty quantification with Earth system modeling and simulation, and 4) AI-enabled sensor integration into Earth system measurements and observations. Such perspectives are a distinguishing aspect of this paper.

58 GEOSCIENCES↗
DOE OSTI2016

MO-DE-207A-01: Impact of Statistical Weights On Detection of Low-Contrast Details in Model-Based Iterative CT Reconstruction

Purpose: Penalized-weighted least-square reconstruction has become an important research topic in CT, to reduce dose without affecting image quality. Two components impact image quality in this reconstruction: the statistical weights and the use of an edge-preserving penalty term. We are interested in assessing the influence of statistical weights on their own, without the edge-preserving feature. Methods: The influence of statistical weights on image quality was assessed in terms of low-contrast detail detection using LROC analysis. The task amounted to detect and localize a 6-mm lesion with random contrast inside the FORBILD head phantom. A two-alternative forced-choice experiment was used with two human observers performing the task. Reconstructions without and with statistical weights were compared, both using the same quadratic penalty term. The beam energy was set to 30keV to amplify spatial differences in attenuation and thereby the role of statistical weights. A fan-beam data acquisition geometry was used. Results: Visual inspection of images clearly showed a difference in noise between the two reconstructions methods. As expected, the reconstruction without statistical weights exhibited noise streaks. The other reconstruction appeared better in this aspect, but presented other disturbing noise patterns and artifacts induced by the weights. The LROC analysis yield the following 95-percent confidence interval for the difference in reader-averaged AUC (reconstruction without weights minus reconstruction with weights): [0.0026,0.0599]. The mean AUC value was 0.9094. Conclusion: We have investigated the impact of statistical weights without the use of edge-preserving penalty in penalized weighted least-square reconstruction. A decrease rather than increase in image quality was observed when using statistical weights. Thus, the observers were better able to cope with the noise streaks than the noise patterns and artifacts induced by the statistical weights. It may be that different results would be obtained if the penalty term was used with a pixel-dependent weight. F Noo receives research support from Siemens Healthcare GmbH.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1995

NASA's Earth Observations Commercialization Applications Program: A model for government promotion of commercial space opportunities

The role of government in promoting space commerce is a topic of discussion in every spacefaring nation. This article describes a new approach to government intervention which, based on its five-year track record, appears to have met with success. The approach, developed in NASA's Earth Observations Commercialization Application Program (EOCAP), offer several lessons for effective government sponsorship of commercial space development in general and of commercial remote sensing in particular.

Macauley, Molly K.↗
NASA NTRS2016

Thermal Testing and Model Correlation for Advanced Topographic Laser Altimeter Instrument (ATLAS)

The Advanced Topographic Laser Altimeter System (ATLAS) part of the Ice Cloud and Land Elevation Satellite 2 (ICESat-2) is an upcoming Earth Science mission focusing on the effects of climate change. The flight instrument passed all environmental testing at GSFC (Goddard Space Flight Center) and is now ready to be shipped to the spacecraft vendor for integration and testing. This topic covers the analysis leading up to the test setup for ATLAS thermal testing as well as model correlation to flight predictions. Test setup analysis section will include areas where ATLAS could not meet flight like conditions and what were the limitations. Model correlation section will walk through changes that had to be made to the thermal model in order to match test results. The correlated model will then be integrated with spacecraft model for on-orbit predictions.

Thermal↗
DOE OSTI2016

Progress in Modeling and Simulation of Batteries

Modeling and simulation of batteries, in conjunction with theory and experiment, are important research tools that offer opportunities for advancement of technologies that are critical to electric motors. The development of data from the application of these tools can provide the basis for managerial and technical decision-making. Together, these will continue to transform batteries for electric vehicles. This collection of nine papers presents the modeling and simulation of batteries and the continuing contribution being made to this impressive progress, including topics that cover: * Thermal behavior and characteristics * Battery management system design and analysis * Moderately high-fidelity 3D capabilities * Optimization Techniques and Durability As electric vehicles continue to gain interest from manufacturers and consumers alike, improvements in economy and affordability, as well as adoption of alternative fuel sources to meet government mandates are driving battery research and development. Progress in modeling and simulation will continue to contribute to battery improvements that deliver increased power, energy storage, and durability to further enhance the appeal of electric vehicles.

batteries↗