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DOE OSTI2025

Role of Uncertainty Quantification in the Explainability of Large Language Models for the Nuclear Industry

The meteoric rise of generative artificial intelligence (AI) large language models (LLMs) has created an opportunity to utilize them to increase efficiencies in a multitude of industries. While LLMs carry great potential to revolutionize the manner in which work is performed, numerous known deficiencies limit their utility, including the black box nature of the models, the stochastic nature of the response (i.e., presenting the same prompt multiple times results in different responses), and the potential for hallucination. Widespread adoption of LLMs in safety-critical industries such as nuclear will require some form of explainability to assure end users that the LLM’s response to a given query is valid. Model uncertainty is inherently linked to the concepts of trust and explainability, and can be used to identify situations in which the model is insufficiently certain about its answer. Although uncertainty is not enough in and of itself to determine the suitability of an answer—a model can be very certain of an inaccurate answer—it still provides valuable supporting information. Practical methodologies for gauging or quantifying the uncertainty in LLM outputs are presented herein, along with examples based on nuclear-specific prompts.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2021

Cognitive analysis of metabolomics data for systems biology

Cognitive computing is revolutionizing the way big data are processed and integrated, with artificial intelligence (AI) natural language processing (NLP) platforms helping researchers to efficiently search and digest the vast scientific literature. Most available platforms have been developed for biomedical researchers, but new NLP tools are emerging for biologists in other fields and an important example is metabolomics. NLP provides literature-based contextualization of metabolic features that decreases the time and expert-level subject knowledge required during the prioritization, identification and interpretation steps in the metabolomics data analysis pipeline. Here, we describe and demonstrate four workflows that combine metabolomics data with NLP-based literature searches of scientific databases to aid in the analysis of metabolomics data and their biological interpretation. Additionally, the four procedures can be used in isolation or consecutively, depending on the research questions. The first, used for initial metabolite annotation and prioritization, creates a list of metabolites that would be interesting for follow-up. The second workflow finds literature evidence of the activity of metabolites and metabolic pathways in governing the biological condition on a systems biology level. The third is used to identify candidate biomarkers, and the fourth looks for metabolic conditions or drug-repurposing targets that the two diseases have in common. The protocol can take 1–4 h or more to complete, depending on the processing time of the various software used.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1988

An intelligent multi-media human-computer dialogue system

Sophisticated computer systems are being developed to assist in the human decision-making process for very complex tasks performed under stressful conditions. The human-computer interface is a critical factor in these systems. The human-computer interface should be simple and natural to use, require a minimal learning period, assist the user in accomplishing his task(s) with a minimum of distraction, present output in a form that best conveys information to the user, and reduce cognitive load for the user. In pursuit of this ideal, the Intelligent Multi-Media Interfaces project is devoted to the development of interface technology that integrates speech, natural language text, graphics, and pointing gestures for human-computer dialogues. The objective of the project is to develop interface technology that uses the media/modalities intelligently in a flexible, context-sensitive, and highly integrated manner modelled after the manner in which humans converse in simultaneous coordinated multiple modalities. As part of the project, a knowledge-based interface system, called CUBRICON (CUBRC Intelligent CONversationalist) is being developed as a research prototype. The application domain being used to drive the research is that of military tactical air control.

Neal, J. G.↗

NASA NTRS2000

Object-oriented Approach to High-level Network Monitoring and Management

An absolute prerequisite for the management of large investigating methods to build high-level monitoring computer networks is the ability to measure their systems that are built on top of existing monitoring performance. Unless we monitor a system, we cannot tools. Due to the heterogeneous nature of the hope to manage and control its performance. In this underlying systems at NASA Langley Research Center, paper, we describe a network monitoring system that we use an object-oriented approach for the design, we are currently designing and implementing. Keeping, first, we use UML (Unified Modeling Language) to in mind the complexity of the task and the required model users' requirements. Second, we identify the flexibility for future changes, we use an object-oriented existing capabilities of the underlying monitoring design methodology. The system is built using the system. Third, we try to map the former with the latter. APIs offered by the HP OpenView system.

Mukkamala, Ravi↗

DOE OSTI2025

A universal implementation of radiative effects in neutrino event generators

Due to the similarities between electron-nucleus (eA) and neutrino-nucleus scattering (νA), eA data can contribute key information to improve cross-section modeling in eA and hence in νA event generators. However, to compare data and generated events, either the data must be radiatively corrected or radiative effects need to be included in the event generators. We implemented a universal radiative corrections program that can be used with all reaction mechanisms and any eA event generator. Our program includes real photon radiation by the incident and scattered electrons, and virtual photon exchange and photon vacuum polarization diagrams. It uses the “extended peaking” approximation for electron radiation and neglects charged hadron radiation. This method, validated with GENIE, can also be extended to simulate νA radiative effects. This work facilitates data-event-generator comparisons used to improve νA event generators for the next-generation of neutrino experiments. Program Title: emMCRadCorr CPC Library link to program files:https://doi.org/10.17632/hmsxg82vnf.1 Developer's repository link:https://github.com/e4nu/emMCRadCorr Licensing provisions: AGPLv3 Programming language:C++ Nature of problem: Radiative effects can significantly modify the event kinematics and the resulting cross-sections. Such effects must be accounted for when comparing event generators to eA data. Existing radiative correction codes are tailored to specific processes and topologies, and are limited to a restricted phase space defined by the spectrometer acceptance. Therefore, a more general approach is required to apply radiative corrections to semi-inclusive and exclusive eA measurements. Solution method: Our program incorporates real photon radiation from both the incident and scattered electrons, as well as virtual photon exchange and photon vacuum polarization effects. It employs the “extended peaking” approximation for electron radiation while neglecting contributions from charged hadron radiation. The code is fully decoupled from event generator codes and can be used for all event generators in the market.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2023

FrESCO: Framework for Exploring Scalable Computational Oncology

The National Cancer Institute (NCI) monitors population level cancer trends as part of its Surveillance, Epidemiology, and End Results (SEER) program. This program consists of state or regional level cancer registries which collect, analyze, and annotate cancer pathology reports. From these annotated pathology reports, each individual registry aggregates cancer phenotype information from electronic health records. This data is then used to create summary statistics about cancer incidence and mortality to facilitate population health monitoring. Extracting phenotypic information from these reports is a labor intensive task, requiring specialized knowledge about the reports and cancer. Automating the information extraction process from cancer pathology reports has the potential to improve data quality by extracting information in a consistent manner across registries. It can also improve patient outcomes by reducing the time from diagnosis, enabling rapid case ascertainment for clinical trials. Here we present FrESCO, a modular deep-learning natural language processing (NLP) library initially designed for extracting pathology information from clinical text documents. This repository is not solely limited to clinical medical text, but may also be used by researchers just getting started with NLP methods and those looking for a robust solution for their classification problems.

60 APPLIED LIFE SCIENCES↗

NASA NTRS1993

Scheduling the future NASA Space Network: Experiences with a flexible scheduling prototype

NASA's Space Network (SN) provides telecommunications and tracking services to low earth orbiting spacecraft. One proposal for improving resource allocation and automating conflict resolution for the SN is the concept of flexible scheduling. In this concept, each Payload Operations Control Center (POCC) will possess a Space Network User POCC Interface (SNUPI) to support the development and management of flexible requests. Flexible requests express the flexibility, constraints, and repetitious nature of the user's communications requirements. Flexible scheduling is expected to improve SN resource utilization and user satisfaction, as well as reduce the effort to produce and maintain a schedule. A prototype testbed has been developed to better understand flexible scheduling as it applies to the SN. This testbed consists of a SNUPI workstation, an SN scheduler, and a flexible request language that conveys information between the two systems. All three are being evaluated by operations personnel. Benchmark testing is being conducted on the scheduler to quantify the productivity improvements achieved with flexible requests.

Happell, Nadine↗

NASA NTRS1991

Watch what you say, your computer might be listening: A review of automated speech recognition

Spoken language is the most convenient and natural means by which people interact with each other and is, therefore, a promising candidate for human-machine interactions. Speech also offers an additional channel for hands-busy applications, complementing the use of motor output channels for control. Current speech recognition systems vary considerably across a number of important characteristics, including vocabulary size, speaking mode, training requirements for new speakers, robustness to acoustic environments, and accuracy. Algorithmically, these systems range from rule-based techniques through more probabilistic or self-learning approaches such as hidden Markov modeling and neural networks. This tutorial begins with a brief summary of the relevant features of current speech recognition systems and the strengths and weaknesses of the various algorithmic approaches.

Degennaro, Stephen V.↗

DOE OSTI2020

Efficient Binary Static Code Data Flow Analysis Using Unsupervised Learning

The ever increasing need to ensure that code is reliably, efficiently and safely constructed has fueled the evolution of popular static binary code analysis tools. In identifying potential coding flaws in binaries, tools such as IDA Pro are used to disassemble the binaries into an opcode/assembly language format in support of manual static code analysis. Because of the highly manual and resource intensive nature involved with analyzing large binaries, the probability of overlooking potential coding irregularities and inefficiencies is quite high. In this paper, a light-weight data, unsupervised data flow methodology is described which uses highly-correlated data flow graph (CDFGs) to identify coding irregularities such that analysis time and required computing resources are minimized. Such analysis accuracy and efficiency gains are achieved by using a combination of graph analysis and unsupervised machine learning techniques which allows an analyst to focus on the most statistically significant flow patterns while performing binary static code analysis.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1993

Flexible language constructs for large parallel programs

The goal of the research described is to develop flexible language constructs for writing large data parallel numerical programs for distributed memory (MIMD) multiprocessors. Previously, several models have been developed to support synchronization and communication. Models for global synchronization include SIMD (Single Instruction Multiple Data), SPMD (Single Program Multiple Data), and sequential programs annotated with data distribution statements. The two primary models for communication include implicit communication based on shared memory and explicit communication based on messages. None of these models by themselves seem sufficient to permit the natural and efficient expression of the variety of algorithms that occur in large scientific computations. An overview of a new language that combines many of these programming models in a clean manner is given. This is done in a modular fashion such that different models can be combined to support large programs. Within a module, the selection of a model depends on the algorithm and its efficiency requirements. An overview of the language and discussion of some of the critical implementation details is given.

Rosing, Matthew↗

DOE OSTI2025

Data imbalance in drug response prediction: multi-objective optimization approach in deep learning setting

Abstract Drug response prediction (DRP) methods tackle the complex task of associating the effectiveness of small molecules with the specific genetic makeup of the patient. Anti-cancer DRP is a particularly challenging task requiring costly experiments as underlying pathogenic mechanisms are broad and associated with multiple genomic pathways. The scientific community has exerted significant efforts to generate public drug screening datasets, giving a path to various machine learning models that attempt to reason over complex data space of small compounds and biological characteristics of tumors. However, the data depth is still lacking compared to application domains like computer vision or natural language processing domains, limiting current learning capabilities. To combat this issue and improves the generalizability of the DRP models, we are exploring strategies that explicitly address the imbalance in the DRP datasets. We reframe the problem as a multi-objective optimization across multiple drugs to maximize deep learning model performance. We implement this approach by constructing Multi-Objective Optimization Regularized by Loss Entropy loss function and plugging it into a Deep Learning model. We demonstrate the utility of proposed drug discovery methods and make suggestions for further potential application of the work to achieve desirable outcomes in the healthcare field.

Biochemistry & Molecular Biology↗

NASA NTRSDate not supplied

Transcribing Air Traffic Control System Command Center Planning Telecons Using Cloud-Based Automatic Speech Recognition

This paper addresses the challenge of using Automatic Speech Recognition (ASR) technology to transcribe regular teleconferences that happen between FAA Air Traffic Control System Command Center (ATCSCC) planners, stakeholders and air users. These planning teleconferences (aka telecons or planning webinars) are an integral part of managing air traffic in the U.S. National Airspace System (NAS). In particular, the meetings facilitate the creation and modification of various traffic management initiatives (TMIs), that are used to regulate the flow of air traffic. This is typically a human intensive process, requiring specialists to listen to the entire meeting audio (10-20 minutes duration) and inferring the state of the NAS (e.g., weather phenomenon) that was discussed. It would be advantageous to have digital transcripts of the audio and have useful information (e.g., related to TMIs) automatically extracted from the transcripts. In this regard, we are exploring the adoption of state-of-the-art speech to text and Natural Language Processing (NLP) tools that will achieve our objective of digitizing the webinar audio. Unfortunately, the highly technical phraseology present in the audio and limited data availability for model building make ASR difficult. To overcome this challenge, we have taken the critical first step in creating a human transcription dataset from ~20 hours of speech in the ATCSCC audio with the help of subject matter experts. A novelty of our work is the creation of a ground truth transcription dataset for ATCSCC teleconference webinars, which is particularly important for Aviation domain-specific NLP tasks. Using Microsoft Speech Studio, a cloud-based ASR platform, we have fine-tuned the English pre-trained ASR models (available in speech studio) and achieved an average word error rate (WER) of 6.81%. The baseline ASR also provides a digital version of each planning webinar, making it accessible and text-searchable for future references. Additionally, the transcriptions can serve as a bridge between raw audio data and a range of text-based NLP tasks, such as named entity recognition (NER) and intent classification, potentially enhancing the digital footprint of the webinars and other connected data sources. Our work has several potential applications. Firstly, the transcriptions can be analyzed to understand the complex decision process of creating, implementing and modifying TMIs and may also contribute to TMI prediction services. Secondly, our dataset and model can be used to develop more accurate ASR systems for aviation-specific language, which can bring about digital communication in the aviation industry (and aid current “voice only” communications, which are inherently error-prone). Lastly, the transcriptions themselves can be used as a valuable resource for training other NLP models.

Stephen S. B. Clarke↗

NASA NTRS2012

LogScope

LogScope is a software package for analyzing log files. The intended use is for offline post-processing of such logs, after the execution of the system under test. LogScope can, however, in principle, also be used to monitor systems online during their execution. Logs are checked against requirements formulated as monitors expressed in a rule-based specification language. This language has similarities to a state machine language, but is more expressive, for example, in its handling of data parameters. The specification language is user friendly, simple, and yet expressive enough for many practical scenarios. The LogScope software was initially developed to specifically assist in testing JPL s Mars Science Laboratory (MSL) flight software, but it is very generic in nature and can be applied to any application that produces some form of logging information (which almost any software does).

Havelund, Klaus↗

DOE OSTI2026

SetGo: Metadata Readiness for Scientific AI Datasets

Scientific datasets intended for AI use require both computational readiness for model training and metadata readiness for discovery, sharing, and reuse. The Readiness Engine for Data Integration (REDI) addresses computational readiness, but no corresponding tool evaluates whether a dataset’s metadata are sufficiently complete, governed, and standards-compliant for publication and agent-based consumption. Existing FAIR assessors operate only on published repository records, and no single system covers FAIR compliance, licensing, provenance, governance, reproducibility, and catalog readiness together. We present SetGo, an open-source Python toolkit that assesses and repairs metadata readiness across these six dimensions before a dataset is published or archived. Applied to four scientific corpora, SetGo surfaces deficiencies that general-purpose tools do not detect: ERA5 climate metadata scores 4% on ACDD 1.3 compliance; materials datasets fail OPTIMADE species-definition requirements; and PDB-derived proteomics data carries licensing terms incompatible with standard SPDX identifiers. Guided enrichment raises overall FAIR scores from 52–57% to 81–91%, and a single setgo publish command pushes to Hugging Face Hub, CKAN, or OpenMetadata with ML Commons Croissant 1.0 metadata sidecars. To support interactive and automated workflows, SetGo integrates with coding agents powered by large language models (LLMs) through a /setgo skill that enables natural-language execution of the full assess–enrich–publish loop, with user involvement limited to supplying missing metadata values.

Wilkinson, Sean [ORNL] (ORCID:0000000214437479)↗

DOE OSTI2023

DeepPatent2: A Large-Scale Benchmarking Corpus for Technical Drawing Understanding

Abstract Recent advances in computer vision (CV) and natural language processing have been driven by exploiting big data on practical applications. However, these research fields are still limited by the sheer volume, versatility, and diversity of the available datasets. CV tasks, such as image captioning, which has primarily been carried out on natural images, still struggle to produce accurate and meaningful captions on sketched images often included in scientific and technical documents. The advancement of other tasks such as 3D reconstruction from 2D images requires larger datasets with multiple viewpoints. We introduce DeepPatent2, a large-scale dataset, providing more than 2.7 million technical drawings with 132,890 object names and 22,394 viewpoints extracted from 14 years of US design patent documents. We demonstrate the usefulness of DeepPatent2 with conceptual captioning. We further provide the potential usefulness of our dataset to facilitate other research areas such as 3D image reconstruction and image retrieval.

97 MATHEMATICS AND COMPUTING↗

NASA NTRSDate not supplied

Advancing Air Mobility: Few-Shot Learning in Airspace Research and Development

The advancement of Air Mobility, particularly in the context of Advanced Air Mobility (AAM) and Urban Air Mobility (UAM), represents a transformative shift in aviation's role in modern society. A comprehensive understanding of requirement consistency is paramount for fostering interoperability, standardization, and cost-effectiveness within airspace systems. This paper introduces a novel approach utilizing a pretrained Sentence Transformers model and few-shot learning to address this crucial aspect task of flagging potentially inconsistent requirements. Few-shot learning supports the development of this future through ensuring the accuracy and consistency of identified requirements with little human oversight. This approach offers a promising solution to the challenges of requirement consistency identification in airspace systems. By harnessing the power of advanced NLP techniques with fine-tuned models, stakeholders can enhance efficiency, accuracy, and scalability; ultimately fostering improved interoperability, standardization, and cost-effectiveness in airspace management.

Natural Language Processing↗

NASA NTRS2012

An Integrated Tool for System Analysis of Sample Return Vehicles

The next important step in space exploration is the return of sample materials from extraterrestrial locations to Earth for analysis. Most mission concepts that return sample material to Earth share one common element: an Earth entry vehicle. The analysis and design of entry vehicles is multidisciplinary in nature, requiring the application of mass sizing, flight mechanics, aerodynamics, aerothermodynamics, thermal analysis, structural analysis, and impact analysis tools. Integration of a multidisciplinary problem is a challenging task; the execution process and data transfer among disciplines should be automated and consistent. This paper describes an integrated analysis tool for the design and sizing of an Earth entry vehicle. The current tool includes the following disciplines: mass sizing, flight mechanics, aerodynamics, aerothermodynamics, and impact analysis tools. Python and Java languages are used for integration. Results are presented and compared with the results from previous studies.

Samareh, Jamshid A.↗

DOE OSTI2026

Principles and Options for Designing Battery Energy Storage Zoning Ordinances

Deployment of battery energy storage (BESS) systems, both standalone and as part of hybrid systems paired with generation, has rapidly increased in the United States in recent years as utilities and communities have deployed storage to improve electric grid reliability and act as a cost-effective alternative to larger grid infrastructure. The modular nature of BESS technologies means systems may be built near other existing land uses, creating the potential for conflicts with neighboring landowners that can be managed and mitigated through zoning and permitting requirements established by local jurisdictions. While many cities and counties have adopted ordinances specific to BESS into their local zoning codes, these ordinances vary significantly in their requirements and level of detail. Meanwhile, many other jurisdictions, including those home to proposed or existing BESS projects, lack any specific language related to BESS in their zoning codes. Local planning and zoning officials have limited capacity and may lack the familiarity with BESS technologies needed to develop ordinances or otherwise make reasonable zoning decisions that balance safety, community impacts, and other goals. The resulting uncertainty at the local zoning level has led developers to withdraw projects in some areas and has spurred moratoria or bans on energy storage projects in others. This report intends to provide practical resources for practitioners interested in reasonable and effective local regulation of battery energy storage. It does not present a model zoning ordinance, but rather is intended to complement model ordinances developed by others by providing additional context and analysis regarding the structure of energy storage zoning ordinances and the decision points for local officials. Zoning ordinances at the city, town, and county level across the U.S. were surveyed alongside two template model ordinances to identify common elements and options for regulating the zoning and siting of BESS. Common elements identified and analyzed include definitions and general requirements, including cutoffs or tiers used to apply regulations to different system sizes and the permitted zones where jurisdictions allow BESS to be sited; visual, noise, and aesthetic requirements, including property line setbacks, fencing and visual screening, noise, and lighting requirements; and safety and planning requirements, such as site plans, decommissioning plans or funds, and requirements for access by emergency services. The report also summarizes some of the more unique regulations, including those that place additional restrictions on BESS at the local level.

25 ENERGY STORAGE↗