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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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Climbing the Summit and Pushing the Frontier of Mixed Precision Benchmarks at Extreme Scale

The rise of machine learning (ML) applications and their use of mixed precision to perform interesting science are driving forces behind AI for science on HPC. The convergence of ML and HPC with mixed precision offers the possibility of transformational changes in computational science. The HPL-AI benchmark is designed to measure the performance of mixed precision arithmetic as opposed to the HPL benchmark which measures double precision performance. Pushing the limits of systems at extreme scale is nontrivial -little public literature explores optimization of mixed precision computations at this scale. In this work, we demonstrate how to scale up the HPL-AI benchmark on the pre-exascale Summit and exascale Frontier systems at the Oak Ridge Leadership Computing Facility (OLCF) with a cross-platform design. We present the implementation, performance results, and a guideline of optimization strategies employed for delivering portable performance on both AMD and NVIDIA GPUs at extreme scale.

Lu, Hao↗
DOE OSTI2025

Seeing is Believing: Autonomous Microscopy and the Data Revolution in Materials Science

This presentation explores the transformative potential of autonomous electron microscopy and artificial intelligence (AI) in accelerating materials science discovery, particularly for energy applications and materials operating in extreme environments. We discuss pioneering self-driving laboratories at NREL designed to intelligently probe material synthesis and degradation across multiple scales, aiming to rapidly bridge the gap between atomic-level understanding and the development of high-performance, reliable materials. Utilizing advanced machine learning techniques, such as few-shot learning and multimodal analysis integrating imaging and spectroscopy, we demonstrate methods to extract actionable descriptors for material behavior, quantify complex microstructural evolution, and statistically link synthesis parameters to defect populations. This AI-driven approach promises to accelerate the creation of predictive materials tailored for specific missions, enabling faster development cycles and enhanced material assurance.

97 MATHEMATICS AND COMPUTING↗
NASA NTRSDate not supplied

Data-Centric Operational Design Domain Characterization for Machine Learning-Based Aeronautical Products

We give for Machine Learning (ML)-based aeronautical products, a first rigorous characterization of Operational Design Domains (ODDs). Unlike in other application sectors (such as self-driving road vehicles) where ODD development is scenario-based, our approach is data-centric: we propose the dimensions along which the parameters that define an ODD can be explicitly captured, using a top-down approach starting from system specifications, and a bottom-up approach starting from detailed ML Model (MLM) designs. Then we give a categorization of the data that ML-based applications can encounter in operation, identifying their system-level relevance and impact. Specifically, we discuss how those data categories are useful to determine: (1) the requirements necessary to drive the design of MLMs; (2) the potential effects on the MLM and higher levels of the system hierarchy; (3) the learning assurance processes that may be needed, and (4) system architectural considerations. We illustrate the underlying concepts with an example of an aircraft flight envelope. The approach in this paper is one of the cornerstones of a future process guidance for development and certification/approval of safety-related aeronautical products implementing Artificial Intelligence (AI), currently being developed through aviation industry-based consensus, jointly by the SAE G-34 Committee for AI in aviation, and EUROCAE WG-114 for AI.

Aeronautical products↗
DOE OSTI2025

Seeing is Believing: Autonomous Microscopy and the Data Revolution in Materials Science

This presentation explores the transformative potential of autonomous electron microscopy and artificial intelligence (AI) in accelerating materials science discovery, particularly for energy applications and materials operating in extreme environments. We discuss pioneering self-driving laboratories at NREL designed to intelligently probe material synthesis and degradation across multiple scales, aiming to rapidly bridge the gap between atomic-level understanding and the development of high-performance, reliable materials. Utilizing advanced machine learning techniques, such as few-shot learning and multimodal analysis integrating imaging and spectroscopy, we demonstrate methods to extract actionable descriptors for material behavior, quantify complex microstructural evolution, and statistically link synthesis parameters to defect populations. This AI-driven approach promises to accelerate the creation of predictive materials tailored for specific missions, enabling faster development cycles and enhanced material assurance.

36 MATERIALS SCIENCE↗
DOE OSTI2021

AI for Extreme Volcanic Climate Forcing and Feedback Forecasting in the 21st century

Focal Areas: Our paradigm-shifting framework will apply machine learning and perform physical analysis of contemporary volcanoes to develop sound forecasts of extreme eruptions in the 21st century and their abrupt drying and cooling impacts on the warming climate. We will also bridge climate data driven regression models and earth system model output to trace teleconnections that exacerbate regional impacts such as Arctic amplification and western US droughts.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Dataset for Evaluation of Extreme Weather Impacts on Utility-Scale Photovoltaic Plant Performance in the United States

This dataset is a fusion of three data types (operations and maintenance tickets, weather data, and production data) that was used to support machine learning analysis and evaluation of drivers for low performance at photovoltaic (PV) sites during compound, extreme weather events. After being processed with machine learning, the data was used in the "Evaluation of Extreme Weather Impacts on Utility-scale Photovoltaic Plant Performance in the United States" manuscript. Additional details are captured in the associated manuscript.

AI↗
NASA NTRSDate not supplied

Creating Benchmark Data for Artificial Intelligence and Machine Learning Space Biology Research

To identify an appropriate AI/ML approach for a specific problem, the best practice is to measure algorithm performance through the benchmarking process. A scientific benchmark consists of an AI-ready dataset and a reference implementation on a specific scientific question. The NASA Science Mission Directorate (SMD) has started the “Benchmark Initiative for AI/ML to create scientific benchmark datasets in three applications: 1) scientific benchmarking, which finds the best algorithm for a specific problem; 2) application benchmarking, which measures algorithm performance against a set of parameters; and 3) system benchmarking, which evaluates performance of hardware and software architecture. Currently, there are no standardized datasets available to benchmark AI/ML algorithms in the domain of space biology. In this work, we constructed two AI/ML-ready biological datasets from experiments in space-flown mice: cellular imaging and RNA-seq. First, radiation-exposed immune cells harbor DNA damage foci that can be fluorescently marked to visualize the amount of damage following exposure to ionizing radiation. However, such large datasets are difficult to analyze visually, due to imaging inconsistencies and human bias, and classical image processing approaches can fail on imaging artifacts. AI/ML are therefore exciting alternative, providing the speed of machines and the accuracy of humans. We have made this dataset available at https://registry.opendata.aws/bps_microscopy/. Second, high-throughput nucleic acid sequencing (DNA-seq, RNA-seq) has become widespread in biomedical research due to the growing availability and affordability of these assays. However, most sequencing datasets suffer from high dimensionality and low sample count. In this work, we used a generative adversarial network to synthesize a standardized, AI-ready, publicly available benchmark dataset for space biology RNA-seq data with sufficient space-flown and ground control mouse liver samples from NASA GeneLab. This dataset is available at https://registry.opendata.aws/bps_rnaseq/. These datasets are now fully open the Space Biology community to test their favorite AI/ML approaches.

James Casaletto↗
DOE OSTI2020

The Manufacturing Data and Machine Learning Platform: Enabling Real-time Monitoring and Control of Scientific Experiments via IoT

IoT devices and sensor networks present new opportunities for measuring, monitoring, and guiding scientific experiments. Sensors, cameras, and instruments can be combined to provide previously unachievable insights into the state of ongoing experiments. However, IoT devices can vary greatly in the type, volume, and velocity of data they generate, making it challenging to fully realize this potential. Indeed, synergizing diverse IoT data streams in near-real time can require the use of machine learning (ML). In addition, new tools and technologies are required to facilitate the collection, aggregation, and manipulation of sensor data in order to simplify the application of ML models and in turn, fully realize the utility of IoT devices in laboratories. Here we will demonstrate how the use of the Argonne-developed Manufacturing Data and Machine Learning (MDML) platform can analyze and use IoT devices in a manufacturing experiment. MDML is designed to standardize the research and operational environment for advanced data analytics and AI-enabled automated process optimization by providing the infrastructure to integrate AI in cyber-physical systems for in situ analysis. We will show that MDML is capable of processing diverse IoT data streams, using multiple computing resources, and integrating ML models to guide an experiment.

Machine Learning↗
DOE OSTI2025

ORBITaL-Net: A labeled training library for large-scale building feature extraction

Over the course of several years, nearly 1.5 million building outlines have been created from approximately 128,000 training tiles covering roughly 7,000 km 2 of very high-resolution multispectral overhead imagery, primarily dated between 2010 and 2020. This dataset, dubbed the Oak Ridge Building Image and TrAining Label Net (ORBITaL-Net), is designed for machine learning applications and is global in scope, with samples drawn from 72 countries across North America, South America, Africa, Europe, and Asia. ORBITaL-Net captures a great diversity in geographic setting, structural characteristics, land use (urban and rural), terrain, and imagery conditions. While the labeled building outlines are themselves valuable, the dataset’s true strength lies in the pairing of these labels with corresponding reference imagery, which is being released for open source use. Similar to SpaceNet and Replicable AI For Microplanning (ramp), this building outline dataset will allow the larger computer vision community from academia, government, and industry the opportunity to develop robust, scalable, and generalizable geospatial machine learning techniques. Unlike SpaceNet and ramp, which offer high resolution labels and imagery primarily for large urban cities, ORBITaL-Net is not focused on training samples from heavily populated areas but instead aims to capture the innate variability of conditions present in both the physical environment and imagery collections.

Geography↗
DOE OSTI2021

From Machine Learning to Nuclear Digital Twins

This presentation provides multiple case studies of Machine Learning, Uncertainty Quantification, Reduced Order Modeling, to achieve digital transformation and provide the components for nuclear digital twinning. The presentation is for an international virtual event titled: Consultancy Meeting on Applications of AI and Pattern Recognition Techniques for Uncertainty Quantification in Nuclear Power Modelling and Simulation held Oct 21-22, 2021.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2026

Artificial Intelligence in Nuclear Safeguards; Evaluating Safeguards and Security Risks and Benefits for Advanced and Small Modular Reactor Deployments

Rapidly growing interest in advanced and small modular reactor (A/SMR) technologies presents challenges as well as opportunities for implementing international safeguards and security. A/SMR deployments are expected to be more numerous, more geographically dispersed, and more varied in their designs, placing new demands on the data systems and analytical tools used to support oversight (Alberti et al., 2023; Canadian Nuclear Safety Commission et al., 2024). Because of this variability, the importance and reliance on data systems for A/SMR deployments is expected to be higher than for previous reactor generations. Artificial Intelligence and Machine Learning (AI/ML) offer potential capabilities to address the high variability inherent in A/SMR technology. The beneficiaries of AI-assisted tools include facility operators, government regulators, IAEA inspectors, and A/SMR vendors. This report analyzes how AI/ML-assisted technologies can strengthen the implementation of IAEA safeguards and security measures. It also identifies AI-assisted tools to strengthen operator, facility, and regulator knowledge management practices and examines the potential risks AI/ML-based tools may introduce to IAEA safeguards and security efforts. It concludes with a set of hypothetical, standards-style requirements for AI/ML systems used in safeguards contexts, grounded in an inspector-centric view of system verification. Despite the potential benefits of AI/ML systems, understanding potential intentional and unintentional failure modes is critical for ensuring adequate protection of nuclear materials and facilities. Unique features of A/SMRs including sealed cores, remote and novel paradigms of operation, off-site reactor fabrication, novel fuel forms, and varied refueling requirements, introduce challenges for traditional safeguards technological approaches (Pensado et al., 2024; Federation of American Scientists, 2025). AI/ML systems deployed to address these challenges may introduce new risks requiring systematic evaluation rooted in both AI-specific risk frameworks, such as the NIST AI Risk Management Framework (NIST AI RMF), and established cyber risk management standards such as NIST SP 800-30 (National Institute of Standards and Technology [NIST], 2023; NIST, 2012).

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Livewire: A Model Platform for Data Quality Assessment and AI Readiness Across DOE Missions

High-quality, well-governed data is essential for accelerating discovery and achieving operational excellence across DOE and national laboratory missions. The Livewire Data Platform is a DOE-supported platform that offers automated assessments of data quality, standardization, provenance, and Artificial Intelligence (AI) readiness. It allows researchers and data practitioners to systematically and easily evaluate datasets against established governance criteria and prepare them for advanced analytics. Livewire addresses critical challenges in DOE's data ecosystem with integrated capabilities for metadata validation, provenance tracking, and schema alignment. This platform's automated workflows assist users in identifying data quality gaps, enhancing interoperability between datasets collected from various stakeholders, and ensuring compliance with DOE data standards, all while reducing manual curation efforts. Additionally, we will discuss its AI readiness framework, which is being developed to prepare datasets for training models, developing advanced analytic tools, and machine learning applications. Using some of the more than one hundred tabular datasets on Livewire, processed with this open-source methodology, we will demonstrate how Livewire can serve as a model for scalable, standards-driven data management. This approach provides a pathway to leverage existing and future datasets within the DOE, boosting innovation and efficiency across national laboratories.

33 - ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2021

Domain knowledge-informed, process-mapping AI graph for designing Fe-based alloys

<span style="font-family: Calibri, sans-serif; font-size: 12pt;">Continuous improvement in efficiency of a power plant relies on designing materials for use at increasingly higher temperature and/or pressure, for 100,000s hours of operation. Due to complexity, non-linearity and high-dimensionality of the problem, traditional Machine Learning (ML) approaches require unreasonably large datasets for the data-driven model development. Science-based material and process engineering complements hard data with, sometimes soft and intuitive, empirical domain knowledge. Artificial Intelligence (AI) was used in this study to incorporate such knowledge into computational graph architecture (process-mimicking artificial neuron design, causal layer and graph structures, ensemble modeling of latent states) and learning procedures (variable transformation, fuzzy physics pre-training and freezing of deep layers, virtual microstructure representation, and adversarial multi-objective optimization). The first alloys design pathways suggested by the AI tool (pyroMind) passed a preliminary engineering review on soundness and transparency.</span>

Romanov, Vyacheslav↗
DOE OSTI2025

MPEX AI Digital Twins

All magnetically confined plasma fusion power plant concepts (Tokamak, Spherical Tokamak, Stellarator, Mirror, ...) must exhaust the heat and plasma from the core confinement region to the material walls. The primary channel for this exhaust is through a plasma divertor which directs plasma along open magnetic field lines to a material target. The Material Plasma Exposure eXperiment (MPEX) illustrated in Figure 1, is a high-power, steady-state linear plasma device designed to produce the plasma material interaction (PMI) conditions of the divertor of future magnetic confinement fusion power plants: energy flux 20MW/m 2 , ion fluence 1031/m 2 , pulse duration 106 sec. These goals of plasma exposure in MPEX are well beyond those achieved in magnetic fusion experimental devices. Successfully achieving these high power steady state conditions for long pulses requires operational control of the heating and particle sources and the plasma flux to the walls and target. The MPEX AI Hot Spot Controller, proposed in this project, will help achieve the operational milestones of MPEX. The MPEX device will begin commissioning at the end of FY26. A smaller proto-MPEX was operated for 14,666 plasma discharges and will resume operation in September of 2025 as proto-MPEX-lite, with reduced capability, to test a new window for the Helicon plasma source. The proto-MPEX data has undergone surrogate modeling with machine learning methods (R. Archibald, 2022 IEEE International Conference on Big Data). This proto-MPEX data will be used to begin development of the AI digital twins described in this white paper. The scientific mission of MPEX is to qualify materials of different composition for use in the high energy and plasma flux conditions of a fusion power plant. The materials exposed in MPEX will in some cases be exposed to high neutron fluxes at other ORNL facilities to measure the changes to their PMI properties. The targets exposed in MPEX will be transported under vacuum to a Surface Analysis Station (SAS). The SAS will be equipped with the following diagnostics: Focused Ion Beam (FIB) for trench milling, 100-400 angstrom resolution scanning electron microscope (SEM), surface mapping x-ray spectrometer, high resolution camera, and a future upgrade to a laser induced breakdown spectroscopy quadruple mass spectrometer (LIBS-QMS). The MPEX experiments will generate diverse pre- and post-exposure measurement data of detailed material properties down to the crystal grain level in 3D for post-exposure assessment of PMI damage (e.g. cracking, melting, erosion and redeposition of the material). Physics models for the PMI, and how the material composition and manufacturing impact its performance under high energy plasma exposure, need to be validated with MPEX data to guide the selection of new candidate materials. Our vision for the MPEX AI Digital Twins project is to supply experimental and physics model simulation data to train Artificial Intelligence (AI) models for data processing, analysis, operational control, PMI and materials simulation to maximize the scientific output of the MPEX device. Ultimately, an AI digital twin of MPEX material assessment metrics for tested and synthetic material types with simulated PMI will be trained by the AI Modeling Teams on the experimental and physics simulation data submitted to the American Science Cloud by this project. A purely empirical search for the best material is inefficient given the finite number of samples that can be tested on MPEX. In order to expand the material properties database for training the MPEX Material Assessment AI Digital Twin, and to gain physics understanding of the PMI processes, physics models of the material properties and PMI processes are required. The physics simulations provide detailed simulation data, like impact angles for plasma ions, sputtering yields, transport of the ionized sputtered target material in the plasma, and redeposition locations. This simulation data expands the measurement data for deeper physics understanding. The experimental data is essential to validate the PMI and material structure simulation models. The validated models can then be used to generate new simulation data of MPEX material assessments for synthetic material compositions that have not been exposed in MPEX. These predictive simulations, plus the whole experimental dataset, will be used to train the MPEX Material Assessment AI Digital Twin allowing a rapid generative AI search for new materials with reduced PMI damage by interpolating the domain of the training set. These new optimum materials can be simulated with the physics codes and/or tested in MPEX. The ability of AI neural networks to interpolate multi-dimensional parameter spaces and generate virtual data is exploited for a more efficient search for optimum materials. The advent of the Transformational AI Models Consortium (TAIMC) is an opportunity to engage with state of the art private and public AI developers to achieve the goals of the AI digital twins and AI accelerated physics models proposed in this project. Our partners at ORNL from the Advance Scientific Computing Research (ASCR) organization will collaborate in accelerating the integrated plasma material interaction simulation framework. This simulation framework will provide a platform for generating simulation data across a range of physical fidelities, including hybrid methods that produce multi-fidelity results. This data will be leveraged for AI model development, both for generation of surrogates and the automation of simulation campaigns. A part of the research below will include collaborative efforts with the TAIMC to (i) adapt data storage approaches to ensure AI-readiness, (ii) provide a protypical exemplar to inform and exercise constructed workflows, and (iii) generate and share data, using the TAIMC unified AI data standard, for foundational models that will be trained from multiple sources across the DOE complex. We will also collaborate with the TAIMC, as well as the planned AI modeling teams, to develop approaches for reducing the cost of data generation. These include tailored multi-fidelity approaches as well as fine-tuning strategies to augment general, large-scale foundational models.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Decoding the proton’s gluonic density with lattice QCD-informed machine learning

We present a first machine learning-based decoding of the gluonic structure of the proton from lattice QCD using a variational autoencoder inverse mapper (VAIM). Harnessing the power of generative AI, we predict the parton distribution function (PDF) of the gluon given information on the reduced pseudo-Ioffe-time distributions (RpITDs) as calculated from an ensemble with lattice spacing a ≈ 0.09 fm and a pion mass of M π ≈ 310 MeV. The resulting gluon PDF is consistent with phenomenological global fits within uncertainties, particularly in the intermediate-to-high-x region where lattice data are most constraining. A subsequent correlation analysis confirms that the VAIM learns a meaningful latent representation, highlighting the potential of generative AI to bridge lattice QCD and phenomenological extractions within a unified analysis framework.

Gluon parton distribution function↗
DOE OSTI2022

Optimized Machine Learning Model for Predicting Groundwater Contamination

The use of physical models to predict groundwater contaminant movement remains technically challenging due to the complexity of the phenomena, the heterogeneity of key parameters in nature, and the presence of poorly defined interactive and feedback processes. New approaches to address these challenges are needed. In this study, we evaluate various Artificial Intelligence (AI)-based approaches to understand a hexavalent chromium (Cr(VI)) plumes located on the U.S. Department of Energy’s (DOE) Hanford Site in Richland, WA. The groundwater monitoring dataset used in this study included data from the 100 Area along the Columbia River and included data collected between 2010 to 2019. This study investigates the most prominent contaminant, Cr(VI), with the Extreme Gradient Boosting (XGBoost) machine learning model. The XGBoost models were compared with optimized versions using an Empirical Bayes Search Cross-Validation technique for better prediction. The optimized XGBoost model yielded an R^2 value of 0.99 on the training set and 0.85 on the testing set, whereas XGBoost without optimization yielded a value of 0.83 on the training set and 0.85 on the testing set. This paper provides an overview of a computational method for groundwater contamination modeling that shows promise for improving current remediation efforts.

Mazumdar, Hirak↗