Search NASA⌕ Search

SEARCH · Search NASA

Results for “Language model”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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

At least 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Augmenting LLM-Based Agents for Improved Performance in Pentesting and Commissioning Operational Technology in Critical Infrastructure

Artificial intelligence (AI), and more specifically large language models (LLMs) have the potential for use in penetration testing (“pentesting”) against devices, networks, and computer systems in information technology (IT). We explore the possibility of extending pentesting from IT systems to operational technology (OT) systems, which are more obscure than IT systems in their protocols and design. A challenge therefore exists when applying pretrained LLMs to OT systems as corpora are likely to underrepresent OT systems in comparison to other more prevalent systems. We evaluate augmentations of LLMs with various methods, especially retrieval augmented generation (RAG), to improve performance of the LLMs in the OT domain. In addition to pentesting, some of the testing of these OT devices may include commissioning to ensure that the newly installed devices work correctly. Our framework may also be applied in such cases.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Ontologies for Intelligent Data Science

As anyone even vaguely aware of current technology can tell you, machine learning (ML) and artificial intelligence (AI) have made exceptional breakthroughs in recent years. Generative artificial intelligence (GAI) emerged circa 2022 dominated by Large Language Models (LLMs) and generative tools for images emerged at about the same time.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2026

Genomic-based biosurveillance for avian influenza: whole genome sequencing from wild mallards sampled during autumn migration in 2022–2023 reveals a high co-infection rate on migration stopover site in Georgia

The Caucasus region, including Georgia, is an important intersection for migratory waterbirds, offering potential for avian influenza virus (AIV) transmission between populations from different geographic areas. In 2022 and 2023, wild ducks were sampled during autumn migration events in Georgia to study the genetic relationships and molecular characteristics of influenza strains. Sequencing and phylogenetic analysis were used to compare the sampled strains to reference sequences from Africa, Asia, and Europe, allowing assessment of genetic relationships and virus transmission between migratory birds. Protein language modeling identified potential co-infections. Of 225 duck samples, 128 tested positive for the influenza M gene. 55 influenza-positive samples underwent whole-genome sequencing, revealing significant diversity. Analysis of the hemagglutinin (HA) segment showed notable differences among subtypes. Most samples were H6N1 and H6N6, but co-infections with combinations like H6H3, N8N1, N6H9, N2N6, and H9H6/N1N2 were also identified. These findings demonstrate the high variability of influenza viruses in migratory waterbirds in Georgia, including a notable rate of co-infections. Some samples exhibited uncommon genetic characteristics compared to other strains from the same year, suggesting Georgia’s role as a mixing vessel for influenza viruses. This facilitates reassortment during co-infections and contributes to the genetic diversity observed across flyways.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Building MCP-native hierarchical AI scientist ecosystems: a perspective on scaling multi-agent scientific discovery

Large language models (LLMs) are evolving from chatbots with limited tool-using capabilities to agentic AI systems that can perform deep research, assist in proposing hypotheses, help design experiments, automate data analysis, and draft scientific reports. However, there are currently two bottlenecks limiting LLMs' real-world impact on the broader scientific research community beyond academic demonstrations: lack of interoperability (repetitive manual tool-integration is required across scenarios) and the need for scalable coordination (unstructured communication and memory become brittle as the number of agents grows). In this Perspective, we argue that the next phase of agentic scientific discovery requires the development of an ecosystem of protocol-native agents and tools organized through hierarchies inspired by human society, beyond the current paradigm of a single monolithic “AI scientist”. We use Model Context Protocol (MCP) as a concrete example of an emerging interoperability layer for scientific tool and context exchange, and we propose three complementary pathways to increase the scaling capabilities of an MCP-native scientific ecosystem by addressing the composability issues: (1) MCP servers for high-value scientific tools maintained by domain experts, (2) automated transformation of existing code repositories into MCP services, and (3) autonomous invention and evolution of new agents and workflows. Finally, we provide a practical roadmap for scaling AI-driven scientific discovery by expanding tool supply and coordination in MCP-native scientific ecosystems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Artificial Intelligence Transforming Post-Translational Modification Research

Post-Translational Modifications (PTMs) are covalent changes to amino acids that occur after protein synthesis, including covalent modifications on side chains and peptide backbones. Many PTMs profoundly impact cellular and molecular functions and structures, and their significance extends to evolutionary studies as well. In light of these implications, we have explored how artificial intelligence (AI) can be utilized in researching PTMs. Initially, rationales for adopting AI and its advantages in understanding the functions of PTMs are discussed. Then, various deep learning architectures and programs, including recent applications of language models, for predicting PTM sites on proteins and the regulatory functions of these PTMs are compared. Finally, our high-throughput PTM-data-generation pipeline, which formats data suitably for AI training and predictions is described. We hope this review illuminates areas where future AI models on PTMs can be improved, thereby contributing to the field of PTM bioengineering.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

An Experiment with LLMs as Database Design Tutors: Persistent Equity and Fairness Challenges in Online Learning

As large language models (LLMs) continue to evolve, their capacity to replace humans as their surrogates is also improving. As increasing numbers of intelligent tutoring systems (ITSs) are embracing the integration of LLMs for digital tutoring, questions are arising as to how effective they are and if their hallucinatory behaviors diminish their perceived advantages. One critical question that is seldom asked if the availability, plurality, and relative weaknesses in the reasoning process of LLMs are contributing to the much discussed digital divide and equity and fairness in online learning. In this paper, we present an experiment with database design theory assignments and demonstrate that while their capacity to reason logically is improving, LLMs are still prone to serious errors. We demonstrate that in online learning and in the absence of a human instructor, LLMs could introduce inequity in the form of “wrongful” tutoring that could be devastatingly harmful for learners, which we call ignorant bias, in increasingly popular digital learning. We also show that significant challenges remain for STEM subjects, especially for subjects for which sound and free online tutoring systems exist. Based on the set of use cases, we formulate a possible direction for an effective ITS for online database learning classes of the future.

Jamil, Hasan M. (ORCID:0000000231243780)↗
DOE OSTI2024

EPBD-BERT

This framework aids in Transcription factor binding site prediction given DNA sequence information and DNA biophysical characteristics computed by pyDNA-EPBD. This framework utilizes a large language model for binding site prediction.

Kabir, Anowarul↗
DOE OSTI2025

ADEPT: A Pedagogical Framework for Integrating Agentic AI with Deterministic Scientific Workflows

The integration of Large Language Models (LLMs) into scientific research promises to accelerate discovery, yet a significant gap remains between the dynamic reasoning of Artificial Intelligence (AI) agents and the static, deterministic nature of canonical scientific workflows. This paper introduces ADEPT (Agentic Discovery and Exploration Platform for Tools), a reference architecture and pedagogical framework explicitly designed to bridge this gap. ADEPT's primary mission is to provide a transparent, "glass-box" environment where researchers and engineers can learn to effectively wrap established scientific software (e.g., BLAST, Nextflow pipelines) and compose it into reliable, agent-driven workflows. We describe its modular, multi-server architecture, which leverages the Model Context Protocol (MCP) for tool serving, LangGraph for robust agentic orchestration, and a secure nsjail-based sandbox for safe code execution. By prioritizing architectural clarity, safety, and modularity, ADEPT serves as an extensible blueprint for building trustworthy AI-augmented systems and fosters the collaborative development necessary to responsibly employ agentic AI for science. We provide practical examples of how to adapt and extend this framework, highlighting its utility in workforce development and AI-readiness capabilities across research and development projects.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Plant Bioengineering Atlas: A Knowledge Graph of Genes, DNA Constructs, and Plant Traits.

Plant bioengineering has generated tens of thousands of genotype-to-phenotype relationships, but this knowledge remains fragmented across narrative literature and difficult to use computationally. Inconsistent descriptions of DNA constructs, host species, and traits, including variable species names, omitted regulatory elements, and inconsistent gene symbols, impede data reuse, comparative analysis, and design-build-test-learn cycles. Here, we present the Plant Bioengineering Atlas, a literature-mined, ontology-grounded knowledge base assembled using an artificial intelligence (AI)-aided extraction pipeline. A large language model parsed open-access primary research articles to generate structured, provenance-anchored records of engineered genes, modification types, promoter-gene-terminator constructs, host species, target traits, and reported phenotypes, with every record traceable to its source. The current release contains 14,358 curated records encompassing 6,998 distinct genes across 436 plant species from 6,452 papers published between 2000 and 2026. Corpus analysis reveals that experiments are concentrated in a small group of model and crop species, disease and pathogen resistance is the most frequently engineered trait class, and constitutive regulatory parts (particularly the CaMV 35S promoter and NOS terminator) remain pervasive. Two in five records omit one or both flanking regulatory elements (i.e., promoter and terminator), while only 23.4% describe cassettes in which both elements resolve to named part classes, exposing a systematic reproducibility gap. We organize these data into a knowledge graph linking genes, constructs, species, and traits; provide access through an interactive web portal; and propose an AI-compatible documentation standard for AI-ready reporting. The Plant Bioengineering Atlas provides a foundation for data-driven hypothesis generation and AI-aided plant biodesign.

, Genes, DNA Constructs↗
DOE OSTI2024

Powering Data Centers with Clean Energy: A Techno-Economic Case Study of Nuclear and Renewable Energy Dependability

Rising data demands from artificial intelligence (AI) and large language models (LLMs) generating images, videos, and text have prompted increased need for larger and more robust data centers in the United States. Major companies interested in these larger data centers face the choice of linking them to existing regional grids, building stand-alone power supplies onsite, or a combination of both. The request, review, and approval process for new transmission lines to grids in the United States, however, has grown in recent years to times spans rivaling those of new construction for nuclear power plants. Building an islanded power supply for each data center is therefore becoming a prominent option. In this case study, several technologies are modeled in techno-economic simulations for long-term system costs subject to fixed electricity demand from a singular data center. A 250 MWe data center is assumed with additional 50 MWe for resiliency. Techno-economic simulations are conducted using the Holistic Energy Resource Optimization Network (HERON) software, which is a part of the Framework for Optimization of Resources and Economics (FORCE) tool suite. Technologies considered include solar, wind, lithium-ion batteries, and several types of nuclear reactors: large-scale reactors, small modular reactors, and microreactors. A low- and high-cost estimate for each technology is assumed to develop a range of expected economic performance. Low-cost estimates included several clean energy production tax credits. Different combinations of renewable energy generators with nuclear reactors are considered, ranging from a fully renewable-powered data center to a fully nuclear-powered data center. Historic time series of wind and solar availability from the Texas grid are used to train a reduced order model; this model then generates unique time series with similar characteristics of the training dataset. Multiple scenarios of weather and subsequent operations are simulated for each renewable-nuclear combination to determine total costs throughout the project lifetime. Fully renewable-powered configurations required large amounts of installed capacity (GW scale) in the simulations to meet the fixed demand of the data center. This is due to some scenarios in the historical dataset which captured low-wind and low-solar days, requiring over-building of these technologies as well as batteries to compensate for the low amounts of electricity generation. Fully nuclear-powered configurations outperformed the fully renewable and mixed renewable-nuclear configurations in terms of cost, with ranges between $1B and $10B in 2023 USDs compared to $40B+ for fully renewable configurations. Of the nuclear technologies, small modular reactors performed better economically than large-scale nuclear models due to lower projected capital costs, and both performed better than the microreactor models. These results demonstrate the applicability of firm, dispatchable electricity resources from baseload generators like nuclear power plants for operating facilities that run at constant power without daily variability.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Towards Agentic AI on Particle Accelerators

As particle accelerators grow in complexity, traditional control methods face increasing challenges in achieving optimal performance. This paper envisions a paradigm shift: a decentralized multi-agent framework for accelerator control, powered by Large Language Models (LLMs) and distributed among autonomous agents. We present a proposition of a self-improving decentralized system where intelligent agents handle high-level tasks and communication and each agent is specialized control individual accelerator components. This approach raises some questions: What are the future applications of AI in particle accelerators? How can we implement an autonomous complex system such as a particle accelerator where agents gradually improve through experience and human feedback? What are the implications of integrating a human-in-the-loop component for labeling operational data and providing expert guidance? We show two examples, where we demonstrate viability of such architecture.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Reducing AI RAG Hallucination by Optimizing Routing Techniques

Large Language Models (LLMs), such as ChatGPT, tend to “hallucinate”, meaning they confidently generate false information. Retrieval Augmented Generation (RAG) attempts to diminish hallucination by providing context to the LLM from data stores (indexes) containing relevant information. The LLM uses this context to formulate its response. RAG systems can still suffer from hallucination because of bad embeddings or ineffective routing. For example, a router will often return context from an irrelevant index, resulting in a hallucinated answer. In this study, we aim to minimize the frequency of routing hallucinations by optimizing Index Summary Routing.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Automation of Vulnerability and Patch Management: Information Extraction, Association, and Optimization

Vulnerability and patch management is an integral part of a robust cybersecurity program, yet it grows increasingly complex due to the sheer amount of data that must be analyzed. Particularly in Operational Technology (OT) environments, analysis must be done manually because of the lack of automated solutions. Additionally, there are many steps in this process, from the initial discovery of the vulnerability to the implementation of its remediation, and each step in the process requires different data in order to be performed effectively. In this work, we provide approaches and strategies to assist operators in industrial or OT environments throughout the vulnerability management cycle. Security advisories provide key information about mitigation strategies, or actions that can be taken when a patch is unavailable or cannot be installed. Details of these strategies are not shared in public vulnerability databases and must be found manually. We approach this problem by designing a solution to automatically identify that information within vendor security advisories and retrieve it for operator use. We start with an approach that requires domain-specific knowledge of certain frequently-seen reference websites. Next, an approach that can work on an arbitrary website but relies on certain keywords. Finally, an approach that uses Natural Language Processing (NLP) methods and does not require specific knowledge or keywords. Each of these approaches is more general than its predecessor; we demonstrate high accuracy for all approaches Advisories also often contain details of affected products in non-standard or natural language formats. While this information can be easily understood when read by an operator, the non-standard format acts as a barrier to effective automation. We provide an approach for the first step in this process: identifying vendors in security advisories and mapping them to a standard framework for representing digital assets and software products. We evaluate five established string similarity algorithms, plus one of our own design that combines string similarity and information theory, on the task of mapping vendors to their corresponding entries in the Common Platform Enumeration (CPE) repository. Our results show that our proposed metric outperforms all others. Due to the constraints on time, finances, and personnel for organizations, Large Language Models (LLMs) may seem like attractive opportunities for security operators to speed up information gathering; however, it is still not clear whether LLMs can handle vulnerability management tasks well. To answer this question, we perform an empirical study of LLMs’ ability to provide consistent, accurate information about vulnerabilities in order to guide organizations in their adoption of LLMs. We observe poor performance for all models tested, suggesting that these models are not well-suited to the consistent retrieval of accurate vulnerability information. Finally, once vulnerabilities have been identified and any additional information has been obtained, operators must decide which remediation actions to implement based on their available resources. This already-complex problem becomes even more so when we consider that a vulnerability may have multiple avenues for remediation. We formulate this scenario as two knapsack problems and provide solutions, which we then compare against several existing strategies for vulnerability prioritization seen in real operational environments.

McClanahan, Kylie↗
DOE OSTI2025

HEPTAPOD: Orchestrating High Energy Physics Workflows Towards Autonomous Agency

Many workflows in high-energy-physics (HEP) stand to benefit from recent advances in transformer-based large language models (LLMs). While early applications of LLMs focused on text generation and code completion, modern LLMs now support orchestrated agency: the coordinated execution of complex, multi-step tasks through tool use, structured context, and iterative reasoning. We introduce the HEP Toolkit for Agentic Planning, Orchestration, and Deployment (HEPTAPOD), an orchestration framework designed to bring this emerging paradigm to HEP pipelines. The framework enables LLMs to interface with domain-specific tools, construct and manage simulation workflows, and assist in common utility and data analysis tasks through schema-validated operations and run-card-driven configuration. To demonstrate these capabilities, we consider a representative Beyond the Standard Model (BSM) Monte Carlo validation pipeline that spans model generation, event simulation, and downstream analysis within a unified, reproducible workflow. HEPTAPOD provides a structured and auditable layer between human researchers, LLMs, and computational infrastructure, establishing a foundation for transparent, human-in-the-loop systems.

Menzo, Tony [Alabama U.; Fermilab] (ORCID:00000002↗
DOE OSTI2025

AUTOMATIC GENERATION OF EVENT TREES AND FAULT TREES: A MODEL-BASED APPROACH

In the past few decades, increasing complexity in modern engineering systems has been driven by the integration of a large number of components and by the fact that the system operations involve many disciplines (e.g., thermal-hydraulics, plant operations, cyber-security). Current safety/reliability modeling approaches to such systems are labor intensive, difficult to learn, and rely heavily on simplistic Boolean logic to depict failure propagation and accident progression. While these methods serve well for simple systems (i.e., linear causal systems with limited small inter- and intra-system interactions), their results are difficult to verify when modeling complex systems (typically performed through the extensive use of modeling assumptions). The development of new methods is addressed to meet these challenges through a model-based system engineering (MBSE) lens. Under MBSE philosophy, every aspect of the system (form or function) is represented by a model that completely characterizes its architecture or behavior. MBSE approach greatly improves the management of design, analysis and verification of complex systems. An integration of Dynamic Probabilistic Risk Assessment (DPRA) methods with MBSE models is proposed to perform safety/reliability analyses of engineering systems. In particular, MBSE representation of the system (performed using Systems Modeling Language [SysML]) is coupled with DPRA methods to automatically generate event trees and fault trees.

97 - MATHEMATICS AND COMPUTING↗
DOE OSTI2025

AI for Interpreting Nuclear Power Plant Documents for Power Uprates

To reduce the cost and time needed for regulatory compliance, nuclear power plants (NPPs) can utilize artificial intelligence (AI) to assist in interpreting complex and voluminous documents that typically span thousands of pages. Usually, the process of interpreting a plant’s technical specifications (TSs) and associated documents is labor intensive. This study aims to understand what processes state-of-the-art large language models (LLMs) can automate and to identify the pitfalls associated with using LLMs to reduce human labor costs and time. This research uses a recent AI technology called retrieval augmented generation (RAG), which retrieves pages of information from TSs and associated documents to assist with NPP power uprates (cleared to produce more power). LLMs are integral to RAG because they create human-like responses based on the retrieved information, aiding in the interpretation and application processes. A baseline case demonstrates how LLMs can operate successfully for a power uprate application. Then five use cases show five types of potential failures: (1) RAG retrieving the incorrect information, (2) RAG misinterpreting the retrieved information, (3) RAG relying on knowledge not contained in the retrieved information, (4) RAG hallucinating, and (5) RAG refusing to answer. The results of the five use cases suggest that automating the human interpretation of TSs and associated documents with AI should be approached with caution. A subject-matter expert reviewed the AI outputs from the five use cases and concluded that an LLM can produce technical information that is needed to produce power uprate applications in certain instances.

21 - SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLAN↗
DOE OSTI2026

Resource-Adaptive Federated Text Generation with Differential Privacy

In cross-silo federated learning (FL), sensitive text datasets remain confined to local organizations due to privacy regulations, making repeated training for each downstream task both communication-intensive and privacy-demanding. A promising alternative is to generate differentially private (DP) synthetic datasets that approximate the global distribution and can be reused across tasks. However, pretrained large language models (LLMs) often fail under domain shift, and federated finetuning is hindered by computational heterogeneity: only resource-rich clients can update the model, while weaker clients are excluded, amplifying data skew and the adverse effects of DP noise. We propose a flexible participation framework that adapts to client capacities. Strong clients perform DP federated finetuning, while weak clients contribute through a lightweight DP voting mechanism that refines synthetic text. To ensure the synthetic data mirrors the global dataset, we apply control codes (e.g., labels, topics, metadata) that represent each client’s data proportions and constrain voting to semantically coherent subsets. This two-phase approach requires only a single round of communication for weak clients and integrates contributions from all participants. Experiments show that our framework improves distribution alignment and downstream robustness under DP and heterogeneity.

Wang, Jiayi [ORNL]↗
DOE OSTI2026

REFSafE: A RAG-Enabled Framework for Predictive Risk Analysis and Automated Safety Report Generation in Mission-Critical Environments

Operational safety in mission-critical environments requires AI systems that are accurate, interpretable, and resistant to hallucination. We present an agentic Retrieval-Augmented Generation (RAG) framework, REFSafe, for grounded hazard analysis and automated safety report generation. The system integrates Large Language Models (LLMs) with structured operational data, historical incident repositories, policy documents, and external authoritative sources. Through iterative agentic reasoning, the framework retrieves, verifies, and synthesizes evidence prior to generation, enforcing citation-backed outputs with explicit source attribution (documents, links, and prior events) to ensure traceability and trust. To mitigate hallucinations and unsupported claims, all risk assessments and forecasts are constrained to retrieved evidence, with confidence signals derived from retrieval relevance and source consistency. A transparent pipeline enables subject matter experts (SMEs) to validate predictions, and provide structured feedback, forming a continuous performance calibration loop. Preliminary deployment demonstrates improved reliability in hazard detection and safety/vulnerability report generation. This work advances trustworthy, evidence-grounded AI for predictive safety intelligence in mission-critical operations.

Das, Sanjay [ORNL] (ORCID:0009000542591915)↗