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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 OSTI2024

Distribution System Dataset Generator for AI Applications [SWR-24-75]

This software is a simple, light-weight python package to generate pytorch compatible machine learning graph dataset representing electric power distribution system. User is able to use these graph datasets to test their graph generation artificial intelligence (AI) models, link prediction AI models, graph classification AI models and so much more. This package uses grid-data-models (https://github.com/NREL-Distribution-Suites/grid-data-models) as input data format for power distribution system. NREL-Ditto (https://github.com/NREL-Distribution-Suites/ditto) tool can be leveraged to transform popular distribution system file formats such as opendss, cyme and synergi to grid-data-models.

Duwadi, Kapil↗

NASA NTRS1988

NESSUS (Numerical Evaluation of Stochastic Structures Under Stress)/EXPERT: Bridging the gap between artificial intelligence and FORTRAN

The development of a probabilistic structural analysis methodology (PSAM) is described. In the near-term, the methodology will be applied to designing critical components of the next generation space shuttle main engine. In the long-term, PSAM will be applied very broadly, providing designers with a new technology for more effective design of structures whose character and performance are significantly affected by random variables. The software under development to implement the ideas developed in PSAM resembles, in many ways, conventional deterministic structural analysis code. However, several additional capabilities regarding the probabilistic analysis makes the input data requirements and the resulting output even more complex. As a result, an intelligent front- and back-end to the code is being developed to assist the design engineer in providing the input data in a correct and appropriate manner. The type of knowledge that this entails is, in general, heuristically-based, allowing the fairly well-understood technology of production rules to apply with little difficulty. However, the PSAM code, called NESSUS, is written in FORTRAN-77 and runs on a DEC VAX. Thus, the associated expert system, called NESSUS/EXPERT, must run on a DEC VAX as well, and integrate effectively and efficiently with the existing FORTRAN code. This paper discusses the process undergone to select a suitable tool, identify an appropriate division between the functions that should be performed in FORTRAN and those that should be performed by production rules, and how integration of the conventional and AI technologies was achieved.

Fink, Pamela K.↗

NASA NTRS2024

Applying Generative-AI to NASA Documentation and Processes

This research and development project leverages generative-AI to assist in the generation of software process documentation based on NASA standards. By utilizing fine-tuned AI models, the proposed system will analyze NASA's software guidelines, helping to translate them into well-structured, compliant process documents. This assistance can reduce the manual effort required to produce such documentation, enhance consistency, and assure alignment with NASA's stringent software development and operational requirements. In addition to assisting in the generation of software process documentation, the project explores how generative-AI can help create audit checklists as well as assess the compliance of NASA provider documentation against applicable NASA standards. This approach would support the compliance auditing process, providing real-time insights and assessments. The intended result will be a streamlined process, potentially including a Python-based tool and database, that improves audit efficiency, reduces human error, lowers manpower costs and required manhours, and assures continuous compliance with NASA and industry evolving standards for safety-critical software development. Future task might be to investigate the software industry approach and standards for potential collaboration.

NASA Standards↗

DOE OSTI2025

On the Abuse and Detection of Polyglot Files

A polyglot is a file that is valid in two or more formats. Polyglot files pose a problem for file-upload and generative AI web interfaces that rely on format identification to determine how to securely handle incoming files. In this work we found that existing file-format and embedded-file detection tools, even those developed specifically for polyglot files, fail to reliably detect polyglot files used in the wild. To address this issue, we studied the use of polyglot files by malicious actors in the wild, finding 30 polyglot samples and 15 attack chains that leveraged polyglot files. Using knowledge from our survey of polyglot usage in the wild---the first of its kind---we created a novel data set based on adversary techniques. We then trained a machine learning detection solution, PolyConv, using this data set. PolyConv achieves a precision-recall area-under-curve score of 0.999 with an F1 score of 99.20% for polyglot detection and 99.47% for file-format identification, significantly outperforming all other tools tested. We developed a content disarmament and reconstruction tool, ImSan, that successfully sanitized 100% of the tested image-based polyglots, which were the most common type found via the survey. Our work provides concrete tools and suggestions to enable defenders to better defend themselves against polyglot files, as well as directions for future work to create more robust file specifications and methods of disarmament.

Oesch, T [ORNL] (ORCID:0000000269091022)↗

NASA NTRS1987

Intelligent fault-tolerant controllers

A system with fault tolerant controls is one that can detect, isolate, and estimate failures and perform necessary control reconfiguration based on this new information. Artificial intelligence (AI) is concerned with semantic processing, and it has evolved to include the topics of expert systems and machine learning. This research represents an attempt to apply AI to fault tolerant controls, hence, the name intelligent fault tolerant control (IFTC). A generic solution to the problem is sought, providing a system based on logic in addition to analytical tools, and offering machine learning capabilities. The advantages are that redundant system specific algorithms are no longer needed, that reasonableness is used to quickly choose the correct control strategy, and that the system can adapt to new situations by learning about its effects on system dynamics.

Huang, Chien Y.↗

NASA NTRS1988

Validation of expert systems

The validation of expert systems (ESs) has only recently become an active AI research topic. Current approaches have concentrated mainly on the validation of rule properties of such systems. The efforts presented improves on current methods by also exploiting the structural and semantic information of such systems. To increase programmer productivity, more and more companies have begun exploiting the advent of AI technology by developing applications using ES shells or other AI-based high level program generators. The architecture, functionality, and future goals of Expert Systems Validation are described along with the features that have been implemented for and in Automated Reasoning Tool, the ES shell presented.

Stachowitz, Rolf A.↗

NASA NTRS1992

A linear spectral matching technique for retrieving equivalent water thickness and biochemical constituents of green vegetation

Over the last decade, technological advances in airborne imaging spectrometers, having spectral resolution comparable with laboratory spectrometers, have made it possible to estimate biochemical constituents of vegetation canopies. Wessman estimated lignin concentration from data acquired with NASA's Airborne Imaging Spectrometer (AIS) over Blackhawk Island in Wisconsin. A stepwise linear regression technique was used to determine the single spectral channel or channels in the AIS data that best correlated with measured lignin contents using chemical methods. The regression technique does not take advantage of the spectral shape of the lignin reflectance feature as a diagnostic tool nor the increased discrimination among other leaf components with overlapping spectral features. A nonlinear least squares spectral matching technique was recently reported for deriving both the equivalent water thicknesses of surface vegetation and the amounts of water vapor in the atmosphere from contiguous spectra measured with the Airborne Visible/Infrared Imaging Spectrometer (AVIRIS). The same technique was applied to a laboratory reflectance spectrum of fresh, green leaves. The result demonstrates that the fresh leaf spectrum in the 1.0-2.5 microns region consists of spectral components of dry leaves and the spectral component of liquid water. A linear least squares spectral matching technique for retrieving equivalent water thickness and biochemical components of green vegetation is described.

Gao, Bo-Cai↗

DOE OSTI2023

Enabling AI in synthetic biology through Construction File specification

The Construction File (CF) specification establishes a standardized interface for molecular biology operations, laying a foundation for automation and enhanced efficiency in experiment design. It is implemented across three distinct software projects: PyDNA_CF_Simulator, a Python project featuring a ChatGPT plugin for interactive parsing and simulating experiments; ConstructionFileSimulator, a field-tested Java project that showcases 'Experiment' objects expressed as flat files; and C6-Tools, a JavaScript project integrated with Google Sheets via Apps Script, providing a user-friendly interface for authoring and simulation of CF. The CF specification not only standardizes and modularizes molecular biology operations but also promotes collaboration, automation, and reuse, significantly reducing potential errors. The potential integration of CF with artificial intelligence, particularly GPT-4, suggests innovative automation strategies for synthetic biology. While challenges such as token limits, data storage, and biosecurity remain, proposed solutions promise a way forward in harnessing AI for experiment design. This shift from human-driven design to AI-assisted workflows, steered by high-level objectives, charts a potential future path in synthetic biology, envisioning an environment where complexities are managed more effectively.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

TEAMER - Field Demonstration of MarineSitu’s Marine Energy Monitoring Tools - CRADA 664 (Abstract)

In order to effectively monitor for marine life around marine energy devices and thus minimize the risk of collision, multiple sensors working in coordination and augmented with around-the-clock automated monitoring algorithms need to be installed in challenging high-energy tidal and wave environments. Such systems are often too expensive for widespread adoption, or lack sufficient sensors or smarts to enable around-the-clock, real-time monitoring without human involvement. MarineSitu has been working to tackle this problem by developing a low-cost, combined sonar and stereo camera sensor array with connected real-time AI-based algorithms for automatically detecting marine life in these marine energy suitable environments. In this TEAMER project with Pacific Northwest National Lab (PNNL), MarineSitu will be testing this novel sensor system for the first time in the high-energy tidal channel environment at PNNL’s Marine and Coastal Research Lab. Throughout this deployment, MarineSitu will be monitoring their system and running analytics on the sensor’s data in real-time. Meanwhile, PNNL Data Scientists and Ocean Engineers, will be evaluating the system’s effectiveness and ease of use both as a tool for plug-and-play environmental monitoring and novel environmental monitoring research. In doing so, the team will improve MarineSitu’s system and software, produce insightful data products, and develop novel visualizations and AI algorithms for combining and analyzing the data produced by systems like MarineSitu’s.

16 TIDAL AND WAVE POWER↗

DOE OSTI2026

Agentic framework for programmatic crystal structure generation using a fine-tuned worker–supervisor large language model

Platinum group metals (PGMs) underpin many catalytic technologies but face severe supply constraints, motivating the search for alternative materials and computational methods to accelerate discovery. While atomistic simulation tools such as Pymatgen and ASE have streamlined structure manipulation, they require detailed inputs, limiting accessibility for experimentalists and slowing early-stage exploration. Here, in this study, we present an AI-driven agentic framework that orchestrates worker–supervisor large language models (LLMs). The worker translates natural-language prompts of varying abstraction into valid crystallographic structures using a compact LLM fine-tuned with low-rank adaptation on a curated text–code–CIF dataset, emphasizing energy-efficient training. Benchmarking against the baseline CodeGen-350M-mono model shows that fine-tuning reduces hallucination rates from 100% to as low as 5% and improves structural match accuracy to up to 82% for fully specified inputs. Accuracy declines with decreasing prompt detail but remains nontrivial even when only stoichiometry and space group are provided, underscoring the LLM’s capacity for crystallographic inference. The supervisor Claude LLM evaluates the outputs and triggers iterative refinement through the worker’s built-in structure manipulation capabilities (e.g., supercell scaling, strain, vacancy, and substitution operations). We further demonstrate use cases for technologically relevant catalysts, including IrO 2 , pyrochlore Pb 2 Ir 2 O 7 , Ni 2 FeO 4 , and Ni 3 Mo, where the framework generates physically consistent structures that can be refined via geometry optimization. This work introduces a low-energy, language-driven pathway for integrating human and machine intelligence in materials design, paving the way for AI-assisted synthesis planning and high-throughput screening of complex oxides.

AI agent↗

DOE OSTI2025

Meeting Global Health Needs via Infectious Disease Forecasting: Development of a Reliable Data-Driven Framework

Infectious diseases (IDs) have a significant detrimental impact on global health. Timely and accurate ID forecasting can result in more informed implementation of control measures and prevention policies. To meet the operational decision-making needs of real-world circumstances, we aimed to build a standardized, reliable, and trustworthy ID forecasting pipeline and visualization dashboard that is generalizable across a wide range of modeling techniques, IDs, and global locations. We forecasted 6 diverse, zoonotic diseases (brucellosis, campylobacteriosis, Middle East respiratory syndrome, Q fever, tick-borne encephalitis, and tularemia) across 4 continents and 8 countries. We included a wide range of statistical, machine learning, and deep learning models (n=9) and trained them on a multitude of features (average n=2326) within the One Health landscape, including demography, landscape, climate, and socioeconomic factors. The pipeline and dashboard were created in consideration of crucial operational metrics—prediction accuracy, computational efficiency, spatiotemporal generalizability, uncertainty quantification, and interpretability—which are essential to strategic data-driven decisions. While no single best model was suitable for all disease, region, and country combinations, our ensemble technique selects the best-performing model for each given scenario to achieve the closest prediction. For new or emerging diseases in a region, the ensemble model can predict how the disease may behave in the new region using a pretrained model from a similar region with a history of that disease. The data visualization dashboard provides a clean interface of important analytical metrics, such as ID temporal patterns, forecasts, prediction uncertainties, and model feature importance across all geographic locations and disease combinations. As the need for real-time, operational ID forecasting capabilities increases, this standardized and automated platform for data collection, analysis, and reporting is a major step forward in enabling evidence-based public health decisions and policies for the prevention and mitigation of future ID outbreaks.

60 APPLIED LIFE SCIENCES↗

NASA NTRS1999

Autonomous Formation Flying from Ground to Flight

The cost of on-orbit operations remains a significant and increasingly visible concern in the support of satellite missions. Headway has been made in automating some ground operations; however, increased mission complexity and more precise orbital constraints have compelled continuing human involvement in mission design and maneuver planning operations. AI Solutions, Inc. in cooperation with the National Aeronautics and Space Administration's (NASA) Goddard Space Flight Center (GSFC) has tackled these more complex problems through the development of AutoCon as a tool for an automated solution. NASA is using AutoCon to automate the maneuver planning for the Earth Orbiter-1 (EO-1) mission. AutoCon was developed originally as a ground system tool. The EO-1 mission will be using a scaled version of AutoCon on-board the EO-1 satellite to command orbit adjustment maneuvers. The flight version of AutoCon plans maneuvers based on formation flying algorithms developed by GSFC, JPL, and other industry partners. In its fully autonomous mode, an AutoCon planned maneuver will be executed on-board the satellite without intervention from the ground. This paper describes how AutoCon automates maneuver planning for the formation flying constraints of the EO-1 mission. AutoCon was modified in a number of ways to automate the maneuver planning on-board the satellite. This paper describes how the interface and functionality of AutoCon were modified to support the on-board system. A significant component of this modification was the implementation of a data smoother, based on a Kalman filter, that ensures that the spacecraft states estimated by an on-board GPS receiver are as accurate as possible for maneuver planning. This paper also presents the methodology use to scale the AutoCon functionality to fit and execute on the flight hardware. This paper also presents the modes built that allow the incremental phasing in of autonomy. New technologies for autonomous operations are usually received with significant, and probably appropriate trepidation. A number of safeguards have been designed in both AutoCon and the interfacing systems to alleviate the potential of mission-impacting anomalies from the on-board autonomous system. This paper describes the error checking, input data integrity validation and limits set on maneuvers in AutoCon and the on-board system.

Chapman, Keith B.↗

DOE OSTI2022

A FAIR and AI-ready Higgs boson decay dataset

Abstract To enable the reusability of massive scientific datasets by humans and machines, researchers aim to adhere to the principles of findability, accessibility, interoperability, and reusability (FAIR) for data and artificial intelligence (AI) models. This article provides a domain-agnostic, step-by-step assessment guide to evaluate whether or not a given dataset meets these principles. We demonstrate how to use this guide to evaluate the FAIRness of an open simulated dataset produced by the CMS Collaboration at the CERN Large Hadron Collider. This dataset consists of Higgs boson decays and quark and gluon background, and is available through the CERN Open Data Portal. We use additional available tools to assess the FAIRness of this dataset, and incorporate feedback from members of the FAIR community to validate our results. This article is accompanied by a Jupyter notebook to visualize and explore this dataset. This study marks the first in a planned series of articles that will guide scientists in the creation of FAIR AI models and datasets in high energy particle physics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2026

AutoLabs: cognitive multi-agent systems with self-correction for autonomous chemical experimentation

The automation of chemical research through self-driving laboratories (SDLs) promises to accelerate scientific discovery, yet the reliability and granular performance of the underlying AI agents remain critical, under-examined challenges. In this work, we introduce AutoLabs, a self-correcting, multi-agent architecture designed to autonomously translate natural-language instructions into executable protocols for a high-throughput liquid handler. The system engages users in dialogue, decomposes experimental goals into discrete tasks for specialized agents, performs tool-assisted stoichiometric calculations, and iteratively self-corrects its output before generating a hardware-ready file. We present a comprehensive evaluation framework featuring five benchmark experiments of increasing complexity, from simple sample preparation to multi-plate timed syntheses. Through a systematic ablation study of 20 agent configurations, we assess the impact of reasoning capacity, architectural design (single- vs. multi-agent), tool use, and self-correction mechanisms. Our results demonstrate that agent reasoning capacity is the most critical factor for success, reducing quantitative errors in chemical amounts (nRMSE) by over 85% in complex tasks. When combined with a multi-agent architecture and iterative self-correction, AutoLabs approaches expert-authored reference procedures on the benchmark (F1-score > 0.89) on challenging multi-plate syntheses. These findings establish a clear blueprint for developing robust and trustworthy AI partners for autonomous laboratories, highlighting the synergistic effects of modular design, advanced reasoning, and self-correction to ensure both performance and reliability in high-stakes scientific applications. Code: https://github.com/pnnl/autolabs

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1989

New directions for Artificial Intelligence (AI) methods in optimum design

Developments and applications of artificial intelligence (AI) methods in the design of structural systems is reviewed. Principal shortcomings in the current approach are emphasized, and the need for some degree of formalism in the development environment for such design tools is underscored. Emphasis is placed on efforts to integrate algorithmic computations in expert systems.

Hajela, Prabhat↗

NASA NTRS1994

An operations and command systems for the extreme ultraviolet explorer

About 40% of the budget of a scientific spacecraft mission is usually consumed by Mission Operations & Data Analysis (MO&DA) with MO driving these costs. In the current practice, MO is separated from spacecraft design and comes in focus relatively late in the mission life cycle. As a result, spacecraft may be designed that are very difficult to operate. NASA centers have extensive MO expertise but often lessons learned in one mission are not exploited for other parallel or future missions. A significant reduction of MO costs is essential to ensure a continuing and growing access to space for the scientific community. We are addressing some of these issues with a highly automated payload operations and command system for an existing mission, the Extreme Ultraviolet Explorer (EUVE). EUVE is currently operated jointly by the Goddard Space Flight Center (GSFC), responsible for spacecraft operations, and the Center for Extreme Ultraviolet Astrophysics (CEA) of the University of California, Berkeley, which controls the telescopes and scientific instruments aboard the satellite. The new automated system is being developed by a team including personnel from the NASA Ames Research Center (ARC), the Jet Propulsion Laboratory (JPL) and the Center for EUV Astrophysics (CEA). An important goal of the project is to provide AI-based technology that can be easily operated by nonspecialists in AI. Another important goal is the reusability of the techniques for other missions. Models of the EUVE spacecraft need to be built both for planning/scheduling and for monitoring. In both cases, our modeling tools allow the assembly of a spacecraft model from separate sub-models of the various spacecraft subsystems. These sub-models are reusable; therefore, building mission operations systems for another small satellite mission will require choosing pre-existing modules, reparametrizing them with respect to the actual satellite telemetry information, and reassembling them in a new model. We briefly describe the EUVE mission and indicate why it is particularly suitable for the task. Then we briefly outline our current work in mission planning/scheduling and spacecraft and instrument health monitoring.

Muscettola, Nicola↗

NASA NTRS1999

Autonomous Formation Flying from the Ground to Flight

The cost of on-orbit operations remains a significant and increasingly visible concern in the support of satellite missions. Headway has been made in automating some ground operations; however, increased mission complexity and more precise orbital constraints have compelled continuing human involvement in mission design and maneuver planning operations. AI Solutions, Inc. in cooperation with the National Aeronautics and Space Administration's (NASA) Goddard Space Flight Center (GSFC) has tackled these more complex problems through the development of AutoCon(TM) as a tool for an automated solution. NASA is using AutoCon(TM) to automate the maneuver planning for the Earth Orbiter-1 (EO-1) mission. AutoCon(TM) was developed originally as a ground system tool. The EO-1 mission will be using a scaled version of AutoCon(TM) on-board the EO-1 satellite to command orbit adjustment maneuvers. The flight version of AutoCon(TM) plans maneuvers based on formation flying algorithms developed by GSFC, JPL, and other industry partners. In its fully autonomous mode, an AutoCon(TM) planned maneuver will be executed on-board the satellite without intervention from the ground. This paper describes how AutoCon(TM) automates maneuver planning for the formation flying constraints of the EO-1 mission. AutoCon(TM) was modified in a number of ways to automate the maneuver planning on-board the satellite. This paper describes how the interface and functionality of AutoCon(TM) were modified to support the on-board system. A significant component of this modification was the implementation of a data smoother, based on a Kalman filter, that ensures that the spacecraft states estimated by an on-board GPS receiver are as accurate as possible for maneuver planning. This paper also presents the methodology used to scale the AutoCon(TM) functionality to fit and execute on the flight hardware. This paper also presents the modes built into the system that allow the incremental phasing in of autonomy. New technologies for autonomous operations are usually received with significant, and probably appropriate, trepidation. A number of safeguards have been designed in both AutoCon(TM) and the interfacing systems to alleviate the potential of mission-impacting anomalies from the on-board autonomous system. This paper describes the error checking, input data integrity validation, and limits set on maneuvers in AutoCon(TM) and the on-board system.

Chapman, Keith B.↗

NASA NTRSDate not supplied

Celestial Mapping System and Digital Lunar Library Initiative

We are preparing to create an interactive, global 3D lunar environment with integrated dataset and AI/ML tools to provide unique value to mission planners, scientists and the entire lunar community. This lunar environment will be based on NASA Ames Celestial Mapping System (CMS) [1] and Digital Lunar Library (DLL) Initiative. CMS provides a 3D virtual Lunar Globe with extensive user friendly tool sets, that include high resolution terrain visualization, elevation profiles, measurement kits, slope analysis, path optimization, line of sight analysis, equipment planning and placement tools and many other functionalities [1]. It has a thick client with less overhead to access hardware resources. This allows features such as terrain profiling and distance calculations to be performed on the client and on the fly. The application is developed to provide situational and domain awareness on the Lunar surface, planning capabilities for equipment placements and traverse path optimization. As data becomes available, CMS has the capabilities to integrate data sets that change dynamically in real-time, which will be useful for monitoring satellites and remotely-sensed data on the Lunar surface. CMS supports importing synthetic features in a variety of 3D, 2D, vector and raster formats. In the future, these capabilities will be enhanced by incorporating AI/ML tools and a plug-in architecture to enable customization by the user groups. With the help of DLL we will be able to : 1) Amplify the value of lunar information with AI-powered data enhancements 2) Acquire and integrate lunar data with AI-assisted georectification and homogenization 3) Analyze lunar data with advanced 3D visualization, intelligent search-by-example 4) Apply lunar data insights to specific use cases with an open plug-in architecture. The CMS-DLL initiative will have several potential use cases for NASA and the lunar community in general, including subsurface lava tube visualization and analysis, soil analysis, in-situ lunar resource visualization and representation on 3D globe, and data analytics for utilization. REFERENCES: [1] https://celestial.arc.nasa.gov/

3D Globe↗