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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 91 records · Page 5

Automating and Evaluating Large Language Models for Accurate Text Summarization Under Zero-Shot Conditions

Automated text summarization (ATS) is crucial for collecting specialized, domain-specific information. Zero-shot learning (ZSL) allows large language models (LLMs) to respond to prompts on information not included in their training, playing a vital role in this process. This study evaluates LLMs' effectiveness in generating accurate summaries under ZSL conditions and explores using retrieval augmented generation (RAG) and prompt engineering to enhance factual accuracy and understanding. We combined LLMs with summarization modeling, prompt engineering, and RAG, evaluating the summaries using the METEOR metric and keyword frequencies through word clouds. Results indicate that LLMs are generally well-suited for ATS tasks, demonstrating an ability to handle specialized information under ZSL conditions with RAG. However, web scraping limitations hinder a single generalized retrieval mechanism. While LLMs show promise for ATS under ZSL conditions with RAG, challenges like goal misgeneralization and web scraping limitations need addressing. Future research should focus on solutions to these issues.

Priebe Mendes Rocha, Maria Eduarda [ORNL]↗

A Concept for Run-Time Support of the Chapel Language

A document presents a concept for run-time implementation of other concepts embodied in the Chapel programming language. (Now undergoing development, Chapel is intended to become a standard language for parallel computing that would surpass older such languages in both computational performance in the efficiency with which pre-existing code can be reused and new code written.) The aforementioned other concepts are those of distributions, domains, allocations, and access, as defined in a separate document called "A Semantic Framework for Domains and Distributions in Chapel" and linked to a language specification defined in another separate document called "Chapel Specification 0.3." The concept presented in the instant report is recognition that a data domain that was invented for Chapel offers a novel approach to distributing and processing data in a massively parallel environment. The concept is offered as a starting point for development of working descriptions of functions and data structures that would be necessary to implement interfaces to a compiler for transforming the aforementioned other concepts from their representations in Chapel source code to their run-time implementations.

James, Mark↗

SEAS Communication Engine: An Extensible, Flexible Wrapper for Co-Simulation Agents

When modeling and analyzing the power grid and other large scale systems, researchers often express scenarios as optimization problems and feed them into advanced software solvers. In order to allow multiple solvers to communicate with each other and share data from different domains, the National Renewable Energy Laboratory (NREL) and associated Department of Energy (DOE) labs have developed a software framework called the Hierarchical Engine for Large-scale Infrastructure Co-Simulation (HELICS). HELICS allows cosimulation via a collection of client libraries for different languages that can be called from the appropriate optimization software. However, these client libraries do not provide a higher level of abstraction beyond reading and writing data off of the shared HELICS bus. In this paper, we describe a new software library called the SEAS Communication Engine that exposes a higher-level API for running cosimulation problems. The SEAS Engine provides a class-based abstraction on top of the Python HELICS client, in order to allow users to implement their domain-specific cosimulations without needing to interact with core HELICS primitives. This will make adoption of HELICS and cosimulation in general easier, by exposing a simpler API. In the second part of the paper, we validate our library on a collection of different simulation examples, including the canonical IEEE 13 Bus Feeder. Lastly, we demonstrate using the SEAS Engine to directly call domain-specific code written in the Julia programming language. Our hope is that this will serve as a template for easily calling software in different programming languages via the SEAS Engine, thereby avoiding code duplication and complexity.

co-simulation↗

Automatic programming of simulation models

The objective of automatic programming is to improve the overall environment for describing the program. This improved environment is realized by a reduction in the amount of detail that the programmer needs to know and is exposed to. Furthermore, this improved environment is achieved by a specification language that is more natural to the user's problem domain and to the user's way of thinking and looking at the problem. The goal of this research is to apply the concepts of automatic programming (AP) to modeling discrete event simulation system. Specific emphasis is on the design and development of simulation tools to assist the modeler define or construct a model of the system and to then automatically write the corresponding simulation code in the target simulation language, GPSS/PC. A related goal is to evaluate the feasibility of various languages for constructing automatic programming simulation tools.

Schroer, Bernard J.↗

Hadl: HUMS Architectural Description Language

Specification of architectures is an important prerequisite for evaluation of architectures. With the increase m the growth of health usage and monitoring systems (HUMS) in commercial and military domains, the need far the design and evaluation of HUMS architectures has also been on the increase. In this paper, we describe HADL, HUMS Architectural Description Language, that we have designed for this purpose. In particular, we describe the features of the language, illustrate them with examples, and show how we use it in designing domain-specific HUMS architectures. A companion paper contains details on our design methodology of HUMS architectures.

Mukkamala, R.↗

Domain-specific text embedding model for accelerator physics

Accelerator physics presents unique challenges for natural language processing (NLP) due to its specialized terminology and complex concepts. A key component in overcoming these challenges is the development of robust text embedding models that transform textual data into dense vector representations, facilitating efficient information retrieval and semantic understanding. In this work, we introduce AccPhysBERT, a sentence embedding model fine-tuned specifically for accelerator physics. Our model demonstrates superior performance across a range of downstream NLP tasks, surpassing existing models in capturing the domain-specific nuances of the field. We further showcase its practical applications, including semantic paper-reviewer matching and integration into retrieval-augmented generation systems, highlighting its potential to enhance information retrieval and knowledge discovery in accelerator physics. Published by the American Physical Society 2025

Hellert, Thorsten (ORCID:0000000227970926)↗

Causal discovery from data assisted by large language models

Knowledge-driven discovery of novel materials necessitates the development of causal models for property emergence. While in the classical physical paradigm, the causal relationships are deduced based on physical principles or via experiment, the rapid accumulation of observational data necessitates learning causal relationships between dissimilar aspects of material structure and functionalities based on observations. For this, it is essential to integrate experimental data with prior domain knowledge. Here, we demonstrate this approach by combining high-resolution scanning transmission electron microscopy data with insights derived from large language models (LLMs). By applying ChatGPT to domain-specific literature, such as arXiv papers on ferroelectrics, and combining the obtained information with data-driven causal discovery, we construct adjacency matrices for directed acyclic graphs that map the causal relationships between structural, chemical, and polarization degrees of freedom in Sm-doped BiFeO 3 . This approach enables us to hypothesize how synthesis conditions influence material properties and guides experimental validation. Furthermore, the ultimate objective of this work is to develop a unified framework that integrates LLM-driven literature analysis with data-driven discovery, facilitating the precise engineering of ferroelectric materials by establishing clear connections between synthesis conditions and their resulting material properties.

Causal inference↗

Certifying Domain-Specific Policies

Proof-checking code for compliance to safety policies potentially enables a product-oriented approach to certain aspects of software certification. To date, previous research has focused on generic, low-level programming-language properties such as memory type safety. In this paper we consider proof-checking higher-level domain -specific properties for compliance to safety policies. The paper first describes a framework related to abstract interpretation in which compliance to a class of certification policies can be efficiently calculated Membership equational logic is shown to provide a rich logic for carrying out such calculations, including partiality, for certification. The architecture for a domain-specific certifier is described, followed by an implemented case study. The case study considers consistency of abstract variable attributes in code that performs geometric calculations in Aerospace systems.

Lowry, Michael↗

Prompt Phrase Ordering Using Large Language Models in HPC: Evaluating Prompt Sensitivity

Large language models (LLMs) have demonstrated effective performance in domain-specific tasks, often requiring a well-designed prompt to guide their responses. However, optimizing the right prompt is challenging due to prompt sensitivity—the phenomenon where small changes in the prompt can lead to significant variations in performance. In this study, we evaluate prompt performance by examining all permutations of independent phrases to investigate prompt sensitivity and robustness. We used two datasets: the GSM8k dataset, which assesses mathematical reasoning, and a custom template prompt for summarizing database metadata. Our goal was to evaluate the performance across all permutations of a sequence of prompt phrases. The study was conducted using the llama3-instruct- 7B model hosted on Ollama, with computations parallelized in a high-performance computing environment. By comparing the average index of phrases in the best and worst-performing prompts, we found that the order of independent phrases within a prompt significantly impacts LLM performance. Additionally, we used Hamming distance to assess changes between phrase orderings, concluding that prompt modifications can dramatically affect scores, often by almost random chance. These findings support existing research on prompt sensitivity. We discuss the challenges of prompt optimization, noting that altering phrases in a successful prompt does not always result in another successful prompt.

97 MATHEMATICS AND COMPUTING↗

Research in mathematical theory of computation

Research progress in the following areas is reviewed: (1) new version of computer program LCF (logic for computable functions) including a facility to search for proofs automatically; (2) the description of the language PASCAL in terms of both LCF and in first order logic; (3) discussion of LISP semantics in LCF and attempt to prove the correctness of the London compilers in a formal way; (4) design of both special purpose and domain independent proving procedures specifically program correctness in mind; (5) design of languages for describing such proof procedures; and (6) the embedding of ideas in the first order checker.

Mccarthy, J.↗

LLM Generation of Online Courses from a Curated Set of Documents in the Nuclear Safeguards Domain

A multidisciplinary team at Argonne National Laboratory explores the application of advanced technologies to enhance knowledge transfer and retention within the nuclear safeguards domain. Specifically, it examines the feasibility of leveraging secure large language models (LLMs) to streamline the creation of e-learning modules for the U.S. National Nuclear Security Administration (NNSA) Office of International Nuclear Safeguards (NA-241). The initiative addresses the critical need for preserving institutional memory and accelerating skill development amidst the imminent retirement of senior professionals in the field in addition to supporting good knowledge management practices. The project integrates instructional design theory with cutting-edge AI technologies to transform curated document sets from the Safeguards Knowledge Repository (SKR) into modular online courses. By automating the generation of learning objectives and instructional content, the effort aims to reduce manual effort while maintaining high-quality educational outcomes. A limited measure of human supervision, however, ensures accuracy, relevance, and alignment with NNSA’s strategic priorities. Key findings highlight the potential of AI-assisted course generation to support safeguards professionals by creating structured, interactive learning experiences. The report underscores the importance of SME validation to address limitations in AI-generated content, such as terminology errors and gaps in coverage. Recommendations include adopting a structured workflow combining LLM acceleration with expert oversight to ensure accuracy, usability, and alignment with learner needs. This work demonstrates Argonne’s commitment to advancing national security and scientific excellence through innovative knowledge management solutions.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Specification, Design, and Analysis of Advanced HUMS Architectures

During the two-year project period, we have worked on several aspects of domain-specific architectures for HUMS. In particular, we looked at using scenario-based approach for the design and designed a language for describing such architectures. The language is now being used in all aspects of our HUMS design. In particular, we have made contributions in the following areas. 1) We have employed scenarios in the development of HUMS in three main areas. They are: (a) To improve reusability by using scenarios as a library indexing tool and as a domain analysis tool; (b) To improve maintainability by recording design rationales from two perspectives - problem domain and solution domain; (c) To evaluate the software architecture. 2) We have defined a new architectural language called HADL or HUMS Architectural Definition Language. It is a customized version of xArch/xADL. It is based on XML and, hence, is easily portable from domain to domain, application to application, and machine to machine. Specifications written in HADL can be easily read and parsed using the currently available XML parsers. Thus, there is no need to develop a plethora of software to support HADL. 3) We have developed an automated design process that involves two main techniques: (a) Selection of solutions from a large space of designs; (b) Synthesis of designs. However, the automation process is not an absolute Artificial Intelligence (AI) approach though it uses a knowledge-based system that epitomizes a specific HUMS domain. The process uses a database of solutions as an aid to solve the problems rather than creating a new design in the literal sense. Since searching is adopted as the main technique, the challenges involved are: (a) To minimize the effort in searching the database where a very large number of possibilities exist; (b) To develop representations that could conveniently allow us to depict design knowledge evolved over many years; (c) To capture the required information that aid the automation process.

Mukkamala, Ravi↗

Julia Programming Language Benchmark Using a Flight Simulation

Julia’s goal to provide scripting language ease-of-coding with compiled language speed is explored. The runtime speed of the relatively new Julia programming language is assessed against other commonly used languages including Python, Java, and C++. An industry-standard missile and rocket simulation, coded in multiple languages, was used as a test bench for runtime speed. All language versions of the simulation, including Julia, were coded to a highly-developed object-oriented simulation architecture tailored specifically for time-domain flight simulation. A “speed-of-coding” second-dimension is plotted against runtime for each language to portray a space that characterizes Julia’s scripting language efficiencies in the context of the other languages. With caveats, Julia runtime speed was found to be in the class of compiled or semi-compiled languages. However, some factors that affect runtime speed at the cost of ease-of-coding are shown. Julia’s built-in functionality for multi-core processing is briefly examined as a means for obtaining even faster runtime speed. The major contribution of this research to the extensive language benchmarking body-of-work is comparing Julia to other mainstream languages using a complex flight simulation as opposed to benchmarking with single algorithms.

Sells, Ray↗

Supporting Development of Satellite's Guidance Navigation and Control Software: A Product Line Approach

The NASA Goddard Space Flight Center Flight Software Branch (FSB) is developing a Guidance, Navigation, and Control (GNC) Flight Software (FSW) product line. The demand for increasingly more complex flight software in less time while maintaining the same level of quality has motivated us to look for better FSW development strategies. The GNC FSW product line has been planned to address the core GNC FSW functionality very similar on many recent low/near Earth missions in the last ten years. Unfortunately these missions have not accomplished significant drops in development cost since a systematic approach towards reuse has not been adopted. In addition, new demands are continually being placed upon the FSW which means the FSB must become more adept at providing GNC FSW functionality's core so it can accommodate additional requirements. These domain features together with engineering concepts are influencing the specification, description and evaluation of FSW product line. Domain engineering is the foundation for emerging product line software development approaches. A product line is 'A family of products designed to take advantage of their common aspects and predicted variabilities'. In our product line approach, domain engineering includes the engineering activities needed to produce reusable artifacts for a domain. Application engineering refers to developing an application in the domain starting from reusable artifacts. The focus of this paper is regarding the software process, lessons learned and on how the GNC FSW product line manages variability. Existing domain engineering approaches do not enforce any specific notation for domain analysis or commonality and variability analysis. Usually, natural language text is the preferred tool. The advantage is the flexibility and adapt ability of natural language. However, one has to be ready to accept also its well-known drawbacks, such as ambiguity, inconsistency, and contradictions. While most domain analysis approaches are functionally oriented, the idea of applying the object-oriented approach in domain analysis is not new. Some authors propose to use UML as the notation underlying domain analysis. Our work is based on the same idea of merging UML and domain analysis. Further, we propose a few extensions to UML in order to express variability, and we define precisely their semantics so that a tool can support them. The extensions are designed to be implemented on the API of a popular industrial CASE tool, with obvious advantages in cost and availability of tool support. The paper outlines the product line processes and identifies where variability must be addressed. Then it describes the product line products with respect to how they accommodate variability. The Celestial Body subdomain is used as a working example. Our results to date are summarized and plans for the future are described.

McComas, David↗

Synergizing human expertise and AI efficiency with language model for microscopy operation and automated experiment design

With the advent of large language models (LLMs), in both the open source and proprietary domains, attention is turning to how to exploit such artificial intelligence (AI) systems in assisting complex scientific tasks, such as material synthesis, characterization, analysis and discovery. Here, we explore the utility of LLMs, particularly ChatGPT4, in combination with application program interfaces (APIs) in tasks of experimental design, programming workflows, and data analysis in scanning probe microscopy, using both in-house developed APIs and APIs given by a commercial vendor for instrument control. We find that the LLM can be especially useful in converting ideations of experimental workflows to executable code on microscope APIs. Beyond code generation, we find that the GPT4 is capable of analyzing microscopy images in a generic sense. At the same time, we find that GPT4 suffers from an inability to extend beyond basic analyses for more in-depth technical experimental design. We argue that an LLM specifically fine-tuned for individual scientific domains can potentially be a better language interface for converting scientific ideations from human experts to executable workflows. Such a synergy between human expertise and LLM efficiency in experimentation can open new doors for accelerating scientific research, enabling effective experimental protocols sharing in the scientific community.

97 MATHEMATICS AND COMPUTING↗

Methodology for Examining the Operator and the System Concurrently: Pilot Interaction with Automation

Complex system description is problematic when considering operator task activities interacting with system dynamics. Engineering languages have matured sufficiently to allow machine system description at various levels of depth and breadth but without operator synergy. Concurrently, Task Analysis methods have evolved along diverse lines enabling a description of the operator in the system from various paradigms but not describing the system. A void exists when attempting to view the system and the operator in the same plane. We propose a methodology employing descriptive languages from different domains viewed in a single dimension. Finite Automata (FA) languages describe the machine system in the proposed approach. Operator task specifications, a form of task analysis output, examine the operator activities within the system. Operator task specifications were then selected for discrete task activities and overlaid on the system description to examine operator inputs and subsequently view system responses. Unexpected (surprise) and undesirable system behavior was expected to emerge from this analysis. In this paper we shall first describe the methodology and show how the two perspectives, machine model and operator task specifications are integrated. Following we describe the process of doing such analysis using an example from cockpit automation. The methodology was employed in the analysis of a new function that was added to an existing automatic flight control system. We begin by defining a flight scenario involving all aspects of pilot interaction with the new function. Then, we proceed to develop a basic model of the machine behavior, in the context of pilot actions. Finally we superimpose the operator task specification on the machine model and perform the analysis. The proposed methodology may have broad appeal to system designers and human factors specialists. A common language for engineers of diverse domains is a strong point of this approach. Systems engineers may not fully understand operational considerations and human limitations, and human factors specialists may not be exposed to the full extent of system behavior. We hope the proposed methodology is adopted by both disciplines and in the process each assimilates a common language to address potential shortcomings of either approach separately.

Austin, David↗

Cooperative analysis expert situation assessment research

For the past few decades, Rome Air Development Center (RADC) has been conducting research in Artificial Intelligence (AI). When the recent advances in hardware technology made many AI techniques practical, the Intelligence and Reconnaissance Directorate of RADC initiated an applications program entitled Knowledge Based Intelligence Systems (KBIS). The goal of the program is the development of a generic Intelligent Analyst System, an open machine with the framework for intelligence analysis, natural language processing, and man-machine interface techniques, needing only the specific problem domain knowledge to be operationally useful. The development of KBIS is described.

Mccown, Michael G.↗

Simulating A Factory Via Software

Software system generates simulation program from user's responses to questions. AMPS/PC system is simulation software tool designed to aid user in defining specifications of manufacturing environment and then automatically writing code for target simulation language, GPSS/PC. Domain of problems AMPS/PC simulates is that of manufacturing assembly lines with subassembly lines and manufacturing cells. Written in Turbo Pascal Version 4.

Schroer, Bernard J.↗