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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Deformable phrase level attention: A flexible approach for improving AI based medical coding

Objective: Improving the AI-driven automated medical encoding of clinical text plays a vital role in gathering information on the occurrence of diseases to improve population-level health. This work presents a novel attention mechanism designed to enhance text classification models and ensure appropriate classification of medical concepts in unstructured electronic health records. Materials and Methods: We developed a deformable, phrase-level attention mechanism to identify important lexical word-level and contextual phrase-level information from clinical text documents. We evaluated conventional and transformer-based deep learning models that we extended with our attention mechanism on the extraction of critical cancer information (e.g., site, subsite, laterality, histology, behavior) from 629,908 electronic pathology reports and on the automated medical encoding of 52,722 hospital discharge summaries. Results: Transformer-based models with the deformable, phrase-level attention mechanism achieved the best performance on the extraction of critical cancer information from pathology reports. Conventional- and transformer-based models show similar or better performance than their baseline counterparts on the automated medical encoding of clinical documents. Discussion: The addition of phrase-level information allowed models extended with our proposed method to outperform standard word-level attention. Our method showed favorable properties for the real-world application in terms of model robustness and phenotyping. These results indicate that our method is promising for automated data harmonization for common data models. Conclusion: This work proposes a novel deformable, phrase-level attention mechanism that enhances text classification models in the extraction of medical concepts from clinical text documents. We demonstrate strong performances on two clinical text datasets and showcase real-world deployability of our method.

Automated medical encoding↗
DOE OSTI2024

Integration of scanning probe microscope with high-performance computing: Fixed-policy and reward-driven workflows implementation

The rapid development of computation power and machine learning algorithms has paved the way for automating scientific discovery with a scanning probe microscope (SPM). The key elements toward operationalization of the automated SPM are the interface to enable SPM control from Python codes, availability of high computing power, and development of workflows for scientific discovery. Here, we build a Python interface library that enables controlling an SPM from either a local computer or a remote high-performance computer, which satisfies the high computation power need of machine learning algorithms in autonomous workflows. We further introduce a general platform to abstract the operations of SPM in scientific discovery into fixed-policy or reward-driven workflows. Furthermore, our work provides a full infrastructure to build automated SPM workflows for both routine operations and autonomous scientific discovery with machine learning.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

NeuDiff Agent: a governed AI workflow for single-crystal neutron crystallography

Large-scale facilities increasingly face analysis and reporting latency as a limiting step in scientific throughput, particularly for structural studies that require iterative reduction, integration, refinement and validation. To improve the time to result and analysis efficiency, NeuDiff Agent is introduced as a governed, tool-using AI workflow for TOPAZ at the Spallation Neutron Source. NeuDiff Agent takes instrument data through reduction, integration, refinement and validation to a validated crystal structure and a publication-ready CIF. NeuDiff Agent coordinates established crystallographic tools under explicit governance by restricting actions to allowlisted tools, enforcing fail-closed verification gates at key workflow boundaries, and capturing complete provenance for inspection, auditing and controlled replay. The present benchmark is limited to structural crystallography for periodic structures; magnetic structure analysis and incommensurate or superspace refinement are outside the scope of the current workflow. Performance is assessed using a fixed prompt protocol and repeated end-to-end runs with two large language model backends, with user and machine time partitioned and intervention burden and recovery behaviors quantified under gating. In a reference-case benchmark, NeuDiff Agent reduces wall time from 435 min (manual) to 86.5 ± 4.7 to 94.4 ± 3.5 min (4.6–5.0× faster) while producing a validated CIF with no checkCIF level A or B alerts. These results establish a practical route to deploy agentic AI in facility crystallography while preserving traceability and publication-facing validation requirements.

Xiao, Zhongcan [ORNL] (ORCID:0000000220761961)↗
NASA NTRS1967

Design of Liquid Propellant Rocket Engines Second Edition

This book intends to build a bridge for the student and the young engineer: to link the rocket propulsion fundamentals and elements (which are well covered in the literature) with the actual rocket engine design and development work as it is carried out in industry (which is very little, if at all covered in literature). The book attempts to further the understanding of the realistic application of liquid rocket propulsion theories, and to help avoid or at least reduce time and money consuming errors and disappointments. In so doing, it also attempts to digest and consolidate numerous closely related subjects, hitherto often treated as separate, bringing them up to date at the same time. The book was written "on the job" for use by those active in all phases of engine systems design, development, and application, in industry as well as government agencies. Since it addresses itself to human beings set out to create new machines, rather than describing machines about to dominate man, the language chosen may not always be "functional" in the strict sense of the word. The book presents sufficient detail to familiarize and educate thoroughly those responsible for various aspects of liquid propellant rocketry, including engine systems design, engine development, and flight vehicle application. It should enable the rocket engineer to conduct, independently, complete or partial engine systems preliminary detail designs and to understand and judge the activities in, and the problems, limitations, and "facts of life~ of the various subsystems making up a complete engine system. It also attempts to educate those ultimately interested in specialized subsystems and component design (thrust chamber, turbopump, control valves, etc.) about their own as well as neighboring subsystems and about the complete engine system. This should enable the student to prepare realistic analytical calculations and design layouts with a long headstart toward the final specialized designs for subsystem production release. Special emphasis has been placed on engine flight application to stimulate engine systems and subsystem designers to think in these terms from the outset. The book is intended as a textbook, with specific consideration of the teacher without industry experience. We hope it will stimulate those desiring to specialize in the area of a rocket engine subsystem by supplying adequate information to enable them to benefit fully from the specialized literature. Thus, it provides a realistic expert introduction for those joining the liquid propellant rocket engine field.

Dieter K Huzel↗
NASA NTRS1986

An accelerated forth data-acquisition system

A new data acquisition system was put into operation at Urbana in August 1984. It uses a standard Apple 2 microcomputer with 48 k RAM and a standard 5 1/4 inch floppy disk. Design criteria for the system is given. The system was implemented using fig-FORTH, a threaded interpretive language which permits easy interfacing to machine code. The throughput of this system is better by a factor of 6 than the PDP-15 minicomputer system previously used, and it has the real time display feature and provides the data in much more convenient form. The features which contribute to this improved performance is listed.

Bowhill, S. A.↗
NASA NTRS1996

Algorithms for Automatic Alignment of Arrays

Aggregate data objects (such as arrays) are distributed across the processor memories when compiling a data-parallel language for a distributed-memory machine. The mapping determines the amount of communication needed to bring operands of parallel operations into alignment with each other. A common approach is to break the mapping into two stages: an alignment that maps all the objects to an abstract template, followed by a distribution that maps the template to the processors. This paper describes algorithms for solving the various facets of the alignment problem: axis and stride alignment, static and mobile offset alignment, and replication labeling. We show that optimal axis and stride alignment is NP-complete for general program graphs, and give a heuristic method that can explore the space of possible solutions in a number of ways. We show that some of these strategies can give better solutions than a simple greedy approach proposed earlier. We also show how local graph contractions can reduce the size of the problem significantly without changing the best solution. This allows more complex and effective heuristics to be used. We show how to model the static offset alignment problem using linear programming, and we show that loop-dependent mobile offset alignment is sometimes necessary for optimum performance. We describe an algorithm with for determining mobile alignments for objects within do loops. We also identify situations in which replicated alignment is either required by the program itself or can be used to improve performance. We describe an algorithm based on network flow that replicates objects so as to minimize the total amount of broadcast communication in replication.

Chatterjee, Siddhartha↗
NASA NTRSDate not supplied

Expanding Biological Repository Data Available for Sharing and Knowledge Discovery

Biology has developed next-generation data science and alternative analytical approaches with methodologies which require principal investigator (PI) experimental assay data be re-used. This new approach involves mining multiple datasets at once from various hierarchical organizations of biological complexity, while concurrently evaluating how experimental factors affect endpoints of standard assays. The purpose of the NASA Ames Life Sciences Data Archive (ALSDA) is to collect, curate, and make findable, accessible, interoperable, and reusable (FAIR) all non-human space-relevant biological data. These data include mission metadata, subject metadata, assay metadata (parameters), raw and processed assay data, assay imagery, and subject-experienced telemetry (radiation, temperature, humidity, acoustics, vibrations). ALSDA has transformed to bring current biological repository data and all future collected data into this new scientific data mining reality. It has integrated into the ‘NASA Open Science’ group of projects to facilitate a suite of new tools and workflows to improve data accessibility and reusability by implementing data management plans, automating data submission agreements, and adopting the single-point-of-entry data submission portal, originally developed by NASA GeneLab. These systems required ALSDA to develop science assay configurations for the submission portal, capturing essential assay parameters according to established norms in each sub-field within biology. The submission portal expedites data collection by enhancing ease of PI data submission, providing a user interface and specificity for which data is to be submitted. ALSDA datasets are curated to maintain rich metadata, accuracy of datasets, data transparency, provenance, and additionally ensure data are machine-readable (e.g., R and Python languages). ALSDA integration with GeneLab and its analysis portals enable higher-order physiological-level datasets be mined in conjunction with -omics datasets. As ALSDA physiological-level datasets are published (micro-computed tomography, histology, intraocular pressure, hormonal assays, immunostaining, ultrasonography), the merging of hierarchical organizations of biological complexity from spaceflight will enable new knowledge discovery approaches.

Ryan T Scott↗
NASA NTRS2025

Navigating Team Dynamics: Automated Detection of Micro-Behaviors Between Team Members Through Longitudinal Interaction Data

The success in future long term space exploration missions will depend on the cooperation, coordination, and mutual understanding among the crew members. Micro-behaviors are momentary, subtle linguistic and paralinguistic indicators of thinking and feeling toward another member of the team (Cortina et al., 2001; Smith & Griffiths, 2022) that can significantly impact team dynamics and influence the overall team performance (Paromita & Chaspari, 2024). Due to their interactive nature, micro-behaviors have a sender (i.e., the team member expressing the micro-behavior) and a target (the team member impacted by the micro-behavior). Detection of these behaviors can assist in avoiding possible conflict among crew members and promoting the overall team success. Our prior research focused on an initial proof of concept of machine learning (ML) models and natural language processing (NLP) techniques that were used for automatically detect micro-behaviors among crew members of the US National Aeronautics and Space Administration’s (NASA) Human Exploration Research Analog (HERA) Campaigns 4 and 5 missions (Paromita et al., 2023). Results underscored the importance of incorporating contextual information in the ML models in the form of sentiment analysis, type of task, and dyadic interaction among team members. Here, we expand the scope of our prior work in two ways. First, we assess ML/NLP methods on new behavioral annotations coded using an adapted version of Smith & Griffins (2022) theoretical framework in terms of Violation (i.e., presence of valenced behavior, uplifting/positive or discouraging/negative), Intensity (i.e., force of behavior in terms of how uplifting or discouraging is the behavior), and Intent (i.e., motive of the behavior in terms of whether it was deliberate or unintentional). Second, we expand the design of the ML model to preserve information about the role of each team member within the occurrence of the micro-behavior (in contrast to the previous model that only considered the sender and the target without determining the team member role). This allows to consider all team members' contributions in the conversation and model long-term dependencies in the dialogue. Our experiments for this study are conducted on data from 5 teams of the NASA HERA C4 (NASA grant NNX16AQ48G (PI: Bell)). Conversations were extracted from the 1.5 hour Team Interaction Battery (TIB) task that occurred 5 times in-mission per crew. This resulted in a total of 13,058 conversational turns (i.e., 17.8% uplifting, 3.3% discouraging, 75.76% neutral, 3.14% nulls). Our findings with the revised behavioral coding and ML/NLP models indicate a 43.66% macro F1-score (i.e., 38.29% precision (P), 50.8% recall (R)) for a dialog state-tracking model that includes information from the sender only, and a 40.9% F1-score (i.e., 38.7% P, 43.36% R) for the same model that includes information from both the sender and the target of the micro-behavior. These are significantly higher compared to simple random forest models that classify behaviors strictly based on speech content and do not consider iterative team dynamics, achieving a 36.07% F1-score (i.e., 39.04% R, 33.53% P). Our findings demonstrate potential ways to leverage large conversational datasets to better capture complex team dynamics. We will discuss future directions including proposed models that can incorporate additional mission days and tasks beyond the TIB for objectively quantifying team behavior at high temporal resolution in space exploration missions.

Projna Paromita↗
NASA NTRSDate not supplied

LLMs and GenAI Tools to Depict Contributions of Human Systems to Spaceflight Tasks Execution

Recent advancements in Artificial Intelligence and Machine Learning (AI/ML) technologies, particularly Large Language Models (LLMs) capable of sophisticated syntax analysis, offer substantial potential in automating complex processes, thereby saving time and human resources. This study explores the development of an LLM-driven model designed to analyze and categorize a diverse set of Mars mission tasks into 18 predefined Human System Task Categories (HSTCs) based on their textual descriptions. As part of developing the Crew Health and Performance – Probabilistic Risk Assessment (CHP-PRA projects Performance Risk Model (PRisM) proof-of-concept, we established a framework to project performance scores from small-scale tests onto a preliminary list of Mars tasks. The foundation of our model was a comprehensive spreadsheet populated by NASA experts and clinicians, which detailed each Mars task alongside binary indicators of HSTC involvement. This dataset enabled the initial application of supervised ML, training and testing on existing HSTC labels. The HSTCs were originally defined from a medical system perspective, focusing on task impairments due to deteriorated human health. To expand our model's scope to include categories impacting performance, we face the challenge of generating binary labels (0 or 1) for new categories without pre-existing data. We address this by employing Generative AI (GenAI) software to determine whether a given task involved a new category by asking, "Does task A involve using category B?" We validate our approach by comparing the GenAI's binary classifications with the expert-provided labels for existing HSTCs. Notably, we utilize Ollama [4], a locally hosted GenAI tool that does not require cloud access, thus safeguarding NASA's proprietary data from unauthorized exposure. This study demonstrates the feasibility of leveraging cutting-edge AI tools to advance research, paving the way for automation and rapid decision-making in space exploration.

Mona Matar↗
DOE OSTI2025

Lessons Learned from AskGDR: Usage and Impact Analysis of the Geothermal Data Repository's AI Research Assistant: Preprint

In October of 2024, the Department of Energy's (DOE) Geothermal Data Repository (GDR) team officially launched AskGDR, an AI research assistant resulting from the integration of a Large Language Model (LLM) with the metadata and supporting documents associated with GDR datasets. AskGDR allows GDR users to ask deeper questions about the origin of datasets, the methods used to collect them, and the findings they help support. Using Retrieval Augmented Generation (RAG), AskGDR can be used to summarize findings spread across dozens of papers and technical reports or to extract relevant information describing a single data field. However, generative AI is experimental. The National Renewable Energy Laboratory (NREL) has been collecting metrics on AskGDR and documenting lessons learned during its deployment. This paper will outline the efficacy and impact of AskGDR through analysis of its use, operating costs, number and types of questions asked, and the quality of answers provided.

15 GEOTHERMAL ENERGY↗
NASA NTRS1986

Concurrent extensions to the FORTRAN language for parallel programming of computational fluid dynamics algorithms

Experiments were conducted at NASA Ames Research Center to define multi-tasking software requirements for multiple-instruction, multiple-data stream (MIMD) computer architectures. The focus was on specifying solutions for algorithms in the field of computational fluid dynamics (CFD). The program objectives were to allow researchers to produce usable parallel application software as soon as possible after acquiring MIMD computer equipment, to provide researchers with an easy-to-learn and easy-to-use parallel software language which could be implemented on several different MIMD machines, and to enable researchers to list preferred design specifications for future MIMD computer architectures. Analysis of CFD algorithms indicated that extensions of an existing programming language, adaptable to new computer architectures, provided the best solution to meeting program objectives. The CoFORTRAN Language was written in response to these objectives and to provide researchers a means to experiment with parallel software solutions to CFD algorithms on machines with parallel architectures.

Weeks, Cindy Lou↗
DOE OSTI2025

Applying Gaussian Process Machine Learning and Modern Probabilistic Programming to Satellite Data to Infer CO 2 Emissions

Satellite data provides essential insights into the spatiotemporal distribution of CO 2 concentrations. However, many atmospheric inverse models fail to adequately incorporate the spatial and temporal correlations inherent in satellite observations and often lack rigorous methods for estimating parameters like spatial length scales. We introduce an inference model that processes the spatiotemporal covariance in satellite data and estimates hyperparameters such as covariance length scales. Our approach uses the Gaussian process (GP) machine learning (ML) and modern probabilistic programming languages (PPLs) to perform atmospheric inversions of emissions from satellite data. We develop a GP ML inversion system based on modern PPLs and the GEOS-Chem chemical transport model, simulating atmospheric CO 2 concentrations corresponding to the Orbiting Carbon Observatory-2/3 (OCO-2/3) data for July 2020. In our supervised learning framework, we treat the GEOS-Chem simulated data set as the target, with predictors derived by scaling the target with sector-specific factors hidden from the GP machine. Our results show that the GP model, combined with GPU-enabled PPLs, effectively retrieves true emission scaling factors and infers noise levels concealed within the data. This suggests that our method could be applied over larger areas with more complex covariance structures, enabling comprehensive analysis of the spatiotemporal patterns observed in OCO-2/3 and similar satellite data sets.

54 ENVIRONMENTAL SCIENCES↗
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↗
NASA NTRS2018

Trusted Communication: Utilizing Speech Communication to Enhance Human-Machine Teaming Success

An area of increasing interest for the next generation of aircraft is autonomy and the integration of increasingly autonomous systems into the national airspace. Such an integration requires humans to work closely with autonomous systems, forming teams. Our hypothesis is that a team composed of both humans and autonomous systems will operate better than either entity alone. We have existing procedures for certifying pilots to operate in the national airspace and are currently working on methods for validating the function of autonomous systems, however we have no method in place for assessing the interaction of these two disparate systems. Communication is one avenue. This paper will examine the use of language as a metric for ascertaining human-machine teaming effectiveness. A proof-of-concept of the application of two communication-based analysis techniques, Linguistic Inquiry and Word Count (LIWC) and Latent Semantic Analysis (LSA), for the prediction of success in human/chatbot teaming was conducted. By running these analyses over data from the 2014 and 2015 Loebner Prize competitions of human/chatbot teaming, numerical scores were obtained that can be associated with scores provided by human judges during the competition. Correlating their LIWC and LSA data with the scores provided by the judges, and using linear regression over this correlation, formulae were obtained that predict the score of human/chatbot interaction. These formulae were tested over the 2013 Loebner Prize transcripts, determining that, though there was strong correlation between predicted and actual scores, the predictive success of this method was not strong. However, with specialized topic spaces and lexica, as well as larger data sets, the predictive power of these metrics will improve. Given the importance of providing metrics for human-machine system team success and given the promise shown by the communication-basedLIWCand LSAmethods, continuing research in this area is necessary. After examining the potential for using communication and spoken language as a metric for the success of human/autonomous system teaming, this paper then examines aspects inherent to communication systems that may contribute to unreliability and reduced trust. Modern natural language processing tools rely on deep learning algorithms to create language rules that produce accurate results, but these rules are uninterpretable. The resulting blackbox system lacks transparency necessary for full validation and complete trust. Additionally, speech-based interfaces pose other difficulties to developing coordinated teamwork between humans and autonomous systems. Human communication is infrequently limited to speech only, instead usually relying on a combination of verbal, gestural, and general body language communication. Reducing an analysis of team effectiveness to a study of spoken language alone is problematic as it leaves these other equally important forms of communication out. This paper will examine these problems and the general deficiencies in speech-based metrics for human-machine teaming.

E L Meszaros↗
NASA NTRS1977

A vehicle for developing standards for simulation programming

The objective of SDDL (Software Design and Documentation Language) is to provide an effective communications medium to support the design and documentation of complex software applications. This objective is met by providing (1) a processor which can express design specifications in an intelligible, informative, machine-reproducible document, (2) a design and documentation language with forms and syntax that are simple, unrestrictive, and communicative, and (3) methodology for effective use of the language and processor. The application of SDDL to the specific problems of simulation models is discussed, with emphasis on the potential of SDDL for developing and specifying design and documentation standards for simulation and modeling.

Kleine, H.↗
NASA NTRS2017

Generating Real-Time Robotics Control Software from SysML

In this paper, we outline an approach for autogenerating real-time robotics control code from hierarchical state machines and hardware configurations encoded in Systems Modeling Language (SysML). We propose a software architecture that provides an abstract SysML layer with access to device state information and a set of primitive device commands, such as move actuator and release brake, allowing a user to build up a complete functional state machine directly in SysML. The SysML diagram is then exported to a standard SCXML file format and subsequently used to auto-generate hardware control code. Once this architecture is in place, the only explicit code elements that need to be written are the primitive device commands, which can be easily unit tested and reused across different systems. The motivation for this work was the need for a test bed that enables the rapid prototyping of mechanisms and control algorithms for a spacecraft that could ultimately be used for preparing Martian rock samples for their return to Earth. To this end, our software system was also designed to allow for the run-time specification of the hardware layout in SysML, with the hardware-level control functions kept agnostic to the specific parameters or communication bus of any particular device. Further, we outline a system for specifying both the state machine and hardware configuration in the MagicDraw IDE in such a way that the system can be simulated before any code is generated. The resultant software system is easy to debug, understand, and allows users to choose how much information is encoded as a visual or text-based representation.

Godart, Peter↗