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At least 217 records · Page 12

All sources NASA NTRS DOE OSTI

DOE OSTI2024

AI in Science Communication

Generative AI has brought innovations across multiple fields, offering great tools for enhanced communication and efficiency. This project focused on developing a custom AI chatbot using OpenAI's Chat GPT (GPT-4o) to support the Fermilab communications team. An analysis identified Chat GPT as the optimal choice, leading to the adoption of its team version and the implementation of a real-time JSON schema for website scanning. Four distinct personas were created to tailor responses to specific audiences, and Fermilab's published content was uploaded to ensure tone consistency. The training involved iterative prompt trials, resulting in a responsive and effective communication assistant. Initial evaluations indicate that the custom GPT shows promise.

Valle, Diego↗

NASA NTRSDate not supplied

A Systems Approach to AI Model Integration and Performance Evaluation for the Generic UAM Simulation Framework

This paper introduces py-guam, an open-source experimentation framework developed for the NASA Generic Urban Air Mobility simulation (GUAM) environment, facilitating the integration and evaluation of advanced artificial intelligence (AI) algorithms. We present a systems approach which enables the seamless incorporation of data-driven models, including off-nominal and failure state detection, into the GUAM’s Cognitive Architecture (CA). The framework supports customizable experimentation parameters, derives Safety Performance Indicators (SPIs) from UL 4600 safety case analyses, and employs rapid UAM simulations to assess AI impacts on flight performance across diverse scenarios. Through comprehensive testing and validation experiments, we demonstrate GUAM’s capability to enhance safety and efficiency in urban air mobility operations. Additionally, the open-source nature of py-guam fosters community collaboration, ensuring continuous improvement and adaptability to evolving technological advancements. This work establishes a robust tool for developing and testing AI-driven urban air mobility (UAM) systems, advancing the safety and reliability of autonomous urban air vehicles.

Artificial Intelligence↗

DOE OSTI2024

MSD CoP Webinar: Advancing MSD Research with Artificial Intelligence

Context: This webinar was hosted by the MultiSector Dynamics Community of Practice (MSD CoP; https://multisectordynamics.org). Abstract: Recent advances in Artificial Intelligence (AI) are quickly changing the landscape of tools available to conceptualize, execute, and disseminate research. We posit that research efforts in Multi-Sector Dynamics can benefit from these advances; the new AI in MSD Working Group thus aims to identify and quantify opportunities and risks associated with their implementation. In this webinar, we will first introduce the new AI Working Group, which was initially conceived during the first MSD workshop in October 2023. Next, our panelists will explore how generative AI, explainable AI, and machine learning can help us improve modeling efforts in multiple domains, including climate science, hydrology, and energy systems. Finally, we will discuss the aims of the working group, gather inputs from the community, and suggest directions for the next steps. Presenters : Andrea Castelletti (Politecnico di Milano; Invited Speaker), Chaopeng Shen (Pennsylvania State University; Invited Speaker), Nicole Jackson (Sandia National Laboratory; Invited Speaker), Stefano Galelli (Cornell University; Co-Chair), David Gold (Utrecht University; Co-Chair), Jillian Sturtevant (Baylor University; Communications Officer) Moderator: Pat M. Reed (MSD CoP Facilitation Team) This webinar was held on: June 14th, 2024 from 12-1:30 PM EST

Artificial Intelligence↗

NASA NTRSDate not supplied

Using Artificial Intelligence and Machine Learning to Enhance Mission Design and Operations of the Habitable Worlds Observatory (HWO)

One key aspect in the development of HWO is the early deployment of artificial intelligence (AI) and machine learning (ML) to enhance mission science and operations. Our subtask group is part of the HWO AI/ML working group and focuses on AI and ML for mission operations. Our task group seeks to educate other HWO working groups about AI and ML capabilities for mission operations, investigate how to bridge technology gaps, and enable new capabilities particularly in the areas of observational scheduling, instrument health monitoring, and downlink operations. We focus on mission tasking / scheduling both for mission analysis in development and operations. AI and ML for mission scheduling includes: tools to support proposal calls and review, ensuring fairness in calls for proposals, community peer reviews and ease workloads, as well as in-flight and ground software development (e.g., using natural language processing (NLP) to support process automation from requirements). AI and ML for the mission’s development and operations include 1) anomaly detection and prediction (from onboard and ground based tools) to monitor the spacecraft’s health, 2) ground-based automated scheduling for mission operations including long-term and short-term planning and maintenance, and 3) flight system flexible execution (as flight proven for Spitzer and JWST) to enable robust execution despite execution variations, and 4) data analysis for prioritization (e.g., real-time data evaluation leading to autonomous actions and adjustments, high-priority identification, onboard data compression, etc.). Incorporation of ML and AI will enable HWO to address the major science questions related to exoplanet characterization, general astrophysics, and solar system exploration and also extend the boundaries of space mission technologies.

Mark Moussa↗

DOE OSTI2025

PDF Entity Annotation Tool (PEAT)

While different text mining approaches – including the use of Artificial Intelligence (AI) and other machine based methods - continue to expand at a rapid pace, the tools used by researchers to create the labeled datasets required for training, modeling, and evaluation remain rudimentary. Labeled datasets contain the target attributes the machine is going to learn; for example, training an algorithm to delineate between images of a car or truck would generally require a set of images with a quantitative description of the underlying features of each vehicle type. Development of labeled textual data that can be used to build natural language machine learning models for scientific literature is not currently integrated into existing manual workflows used by domain experts. Published literature is rich with important information, such as different types of embedded text, plots, and tables that can all be used as inputs to train ML/natural language processing (NLP) models, when extracted and prepared in machine readable formats. Currently, both normalized data extraction of use to domain experts and extraction to support development of ML/NLP models are labor intensive and cumbersome manual processes. Automatic extraction of data and information from formats such as PDFs that are optimized for layout and human readability, not machine readability. The PDF (Portable Document Format) Entity Annotation Tool (PEAT) was developed with the goal of allowing users to annotate publications within their current print format, while also allowing those annotations to be captured in a machine-readable format. One of the main issues with traditional annotation tools is that they require transforming the PDF into plain text to facilitate the annotation process. While doing so lessens the technical challenges of annotating data, the user loses all structure and provenance that was inherent in the underlying PDF. Also, textual data extraction from PDFs can be an error prone process. Challenges include identifying sequential blocks of text and a multitude of document formats (multiple columns, font encodings, etc.). As a result of these challenges, using existing tools for development of NLP/ML models directly from PDFs is difficult because the generated outputs are not interoperable. We created a system that allows annotations to be completed on the original PDF document structure, with no plain text extraction. The result is an application that allows for easier and more accurate annotations. In addition, by including a feature that grants the user the ability to easily create a schema, we have developed a system that can be used to annotate text for different domain-centric schemas of relevance to subject matter experts. Different knowledge domains require distinct schemas and annotation tags to support machine learning.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Quantum biological insights into CRISPR-Cas9 sgRNA efficiency from explainable-AI driven feature engineering

Abstract CRISPR-Cas9 tools have transformed genetic manipulation capabilities in the laboratory. Empirical rules-of-thumb have been developed for only a narrow range of model organisms, and mechanistic underpinnings for sgRNA efficiency remain poorly understood. This work establishes a novel feature set and new public resource, produced with quantum chemical tensors, for interpreting and predicting sgRNA efficiency. Feature engineering for sgRNA efficiency is performed using an explainable-artificial intelligence model: iterative Random Forest (iRF). By encoding quantitative attributes of position-specific sequences for Escherichia coli sgRNAs, we identify important traits for sgRNA design in bacterial species. Additionally, we show that expanding positional encoding to quantum descriptors of base-pair, dimer, trimer, and tetramer sequences captures intricate interactions in local and neighboring nucleotides of the target DNA. These features highlight variation in CRISPR-Cas9 sgRNA dynamics between E. coli and H. sapiens genomes. These novel encodings of sgRNAs enhance our understanding of the elaborate quantum biological processes involved in CRISPR-Cas9 machinery.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Data Science in Chemical Engineering: Applications to Molecular Science

Chemical engineering is being rapidly transformed by the tools of data science. On the horizon, artificial intelligence (AI) applications will impact a huge swath of our work, ranging from the discovery and design of new molecules to operations and manufacturing and many areas in between. Early adoption of data science, machine learning, and early examples of AI in chemical engineering has been rich with examples of molecular data science—the application tools for molecular discovery and property optimization at the atomic scale. Here, we summarize key advances in this nascent subfield while introducing molecular data science for a broad chemical engineering readership. We introduce the field through the concept of a molecular data science life cycle and discuss relevant aspects of five distinct phases of this process: creation of curated data sets, molecular representations, data-driven property prediction, generation of new molecules, and feasibility and synthesizability considerations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRSDate not supplied

NASA’s Moon Trek Portal: New Capabilities Supporting Mission Planning and Engagement

Introduction: NASA’s Moon Trek (https://trek.nasa.gov/moon/) is one of a growing number of interactive, browser-based, online portals for planetary data visualization and analysis produced by NASA’s Solar System Treks Project (SSTP). Moon Trek continues to be enhanced with new data and new capabilities enabling it to facilitate the planning and conducting of upcoming lunar missions by NASA, its commercial partners, and its international partners, as well as advancing its role as a valuable outreach tool. A Comprehensive Online Web Portal: Developed at NASA’s Jet Propulsion Laboratory (JPL) and managed as a project of NASA’s Solar System Exploration Research Virtual Institute (SSERVI) at NASA Ames Research Center, Moon Trek is a browser-based web portal. The portal provides easy-to-use tools for browsing, data layering, data product blending, and feature search among thousands of data products covering topography, mineralogy, elemental abundance, geology, and much more. Visualizations are provided in var-ious map projections, interactive 3D viewing, and in virtual reality. Using an in-house stereo workflow, SSTP is able to produce new NAC-based high-resolution mosaics and DEMs. Diverse Applications for Lunar Exploration: Baseline analytic tools available to all users include dis-tance measurement, elevation profiling, sun angle calculation, and 3D print file generation. More advanced account-level tools allow users to perform more computationally intensive analyses. These include ray-traced lighting analysis for user-specified areas over user-specified time/date ranges and time intervals, electro-static surface potential analysis, subsetting of large data products, slope analysis, and Lunar Laser Ranging geometry calculation. Artificial intelligence (AI) and ma-chine learning (ML) based tools have been implemented for crater detection and hazard analysis, boulder detection and hazard analysis, and rockfall detection. New Tools Facilitating Exploration: Additional, new tools have recently been added and others are in development, offering even greater functionality in con-ducting analyses of potential landing sites and areas of surface operations. The new Line-of-Sight tool facilitates communications planning between locations on the lunar surface, between any given site on the lunar surface and a specified ground station on the Earth, and between a site on the lunar surface and a relay asset in lunar orbit, all taking into account local lunar topography. The new Data Plotter tool provides both tabular and graphical representations of pixel values along a user specified path for a growing number of data products. The new NAC Finder tool will identify and pro-vide access to NAC images that intersect a user-defined path or bounded area. The SSTP development team is looking to leverage the capabilities of its existing AI and ML crater, boulder, and rockfall detection and analysis tools, and extend that technology to a generalized feature detector that can be trained on instances of specific types of landforms and then search the lunar surface for more examples of such features. New traverse planning tools are being developed with use cases in generalized concept studies and specific mission planning in mind. These will facilitate finding optimal traverse paths based on constraints such as slope, lighting, hazard avoidance, and communications. These will be complemented by new traverse visualization capabilities. Users will be able to interactively ride along with a rover, examining 3D views of the terrain while adjusting camera height and viewing angle along with selecting different data layer overlays to drape across the terrain. Engaging the Public: The capabilities being developed for mission planning are being leveraged to further enhance Moon Trek’s proven utility as a valuable public outreach resource. This includes providing multiple lev-els of engagement with different points of entry. At its simplest level, promoting understanding through visualization, media and the public will be able to easily visualize and conduct their own exploration of lunar sites targeted by NASA and its partners. For a more in-depth experience, we are working with our stakeholders to promote understanding through interaction by extend-ing our current landing site and traverse analysis capabilities, making simplified access to these tools available to those who want to explore more deeply key factors in planning a mission through interactive and possibly even gamified experiences. The highest degree of public outreach, focusing on engagement through scientific participation, could be achieved through our work with missions and the NASA Office of the Chief Scientist on Moon Trek’s extension as a tool with specialized capabilities for facilitating citizen science. In such scenarios, participants become members of extended mis-sion science teams, using dedicated and integrated interfaces to analyze mission data to help answer questions key to lunar science and exploration. We are work-ing with NASA’s Office of Communications, museums, planetariums, and the media to help them easily integrate accurate, detailed visualizations of NASA’s lunar destinations and exploration into their content/productions and to engage diverse audiences in diverse venues.

Moon Trek↗

DOE OSTI2024

AI in Science Communication

Generative AI has brought great innovations across multiple fields, offering great tools for enhanced communication and efficiency. This project focused on developing a custom AI chatbot using OpenAI's Chat GPT (GPT-4o) to support the Fermilab communications team. An analysis identified Chat GPT as the optimal choice, leading to the adoption of its team version and the implementation of a real-time JSON schema for website scanning. Four distinct personas were created to tailor responses to specific audiences, and Fermilab's published content was uploaded to ensure tone consistency. The training involved iterative prompt trials, resulting in a responsive and effective communication assistant. Initial evaluations indicate that the custom GPT shows promise.

Valle, Diego↗

DOE OSTI2026

Toward a microscopic picture of hadronization and multi-parton processes

This project advanced the understanding of how quarks and gluons produced in high-energy collisions transform into the hadrons observed in particle detectors, a fundamental process known as quantum chromodynamics (QCD) hadronization. By combining theoretical calculations, quantum simulation methods, and modern AI techniques, the research developed new tools to study multi-parton dynamics and nonperturbative effects that are essential for interpreting data from current and future nuclear physics experiments. Key outcomes include new theoretical frameworks for jet and hadron measurements, pioneering quantum simulation algorithms for real-time dynamics in field theories, and the development of advanced machine-learning models, such as diffusion models and explainable classifiers, to simulate and analyze collider events. These results are directly relevant to experiments at Jefferson Lab, Brookhaven National Laboratory, and the future Electron-Ion Collider, and they also have a broader impact in areas such as quantum information science and data-driven modeling of complex systems. The project supported the training of graduate students and postdoctoral fellows and contributed to the broader scientific community through publications, workshops, and collaborative activities. Overall, this work provides new insights into the microscopic mechanisms of hadron formation and establishes a foundation for future studies at the intersection of nuclear physics, artificial intelligence, and quantum computing.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Exploring the Intersection of AI and Visualization in the Nuclear Industry

This presentation explores the impact of AI and visualization in advancing the nuclear industry by improving safety, operational efficiency, and decision-making processes. It highlights key applications such as real-time monitoring, predictive maintenance, and immersive training, while addressing challenges like data quality, regulatory hurdles, and the need for explainable AI. Additionally, the presentation outlines future directions, emphasizing the potential of AI-driven reactor design, advanced simulation tools, and ethical considerations to drive innovation and sustainability in nuclear operations.

99 GENERAL AND MISCELLANEOUS↗

NASA NTRS1992

Improving designer productivity

Designer and design team productivity improves with skill, experience, and the tools available. The design process involves numerous trials and errors, analyses, refinements, and addition of details. Computerized tools have greatly speeded the analysis, and now new theories and methods, emerging under the label Artificial Intelligence (AI), are being used to automate skill and experience. These tools improve designer productivity by capturing experience, emulating recognized skillful designers, and making the essence of complex programs easier to grasp. This paper outlines the aircraft design process in today's technology and business climate, presenting some of the challenges ahead and some of the promising AI methods for meeting these challenges.

Hill, Gary C.↗

NASA NTRS1992

Improving designer productivity

Hill, Gary C.↗

DOE OSTI2025

Trustworthiness and Trust: Identifying Factors that Drive Successful Human-AI Interaction in Nuclear Power Plant Applications

Emerging technologies such as artificial intelligence (AI) and machine learning (ML) are rapidly evolving and considered a promising tool for efficient and continued safe operations of the U.S. nuclear power plants (NPPs). Emerging AI techniques like large language models (LLMs) are one such technology that may support personnel at existing NPPs perform work more efficiently. For example, operators may query the current operational status of a power plant via a chat interface leveraging LLMs to access plant-related information in an interactive manner rather than manually collecting various sensor data for tasks such as surveillances or completing work orders. This is a fundamental shift in the way operators currently perform their tasks today. The literature of human-automation interaction indicates that trust is a crucial factor that drives successful interaction between a human operator and an automated system, like an AI-infused NPP application. This work presents the results of a literature review on key factors that relate to trust in AI/LLM technologies for NPP applications. The relevant literature of human factors and cognitive engineering has identified various factors related to trust including trustworthiness, performance characteristics, operator skill and perceived risk. This preliminary literature review will guide development and evaluation of models involving the identified factors influencing trust in AI and develop a framework for human-centered design for interface between humans and AI. By addressing trust, this work supports developing a technical basis for designing key characteristics of AI/LLM to support calibrated trust, which will ultimately support wide-scale adoption of AI/LLM technologies, as well as ensure safe, effective, and reliable use.

99 - GENERAL AND MISCELLANEOUS↗

DOE OSTI2025

Synthetic Scientific Image Generation with VAE, GAN, and Diffusion Model Architectures

Generative AI (genAI) has emerged as a powerful tool for synthesizing diverse and complex image data, offering new possibilities for scientific imaging applications. This review presents a comprehensive comparative analysis of leading generative architectures, ranging from Variational Autoencoders (VAEs) to Generative Adversarial Networks (GANs) on through to Diffusion Models, in the context of scientific image synthesis. We examine each model's foundational principles, recent architectural advancements, and practical trade-offs. Our evaluation, conducted on domain-specific datasets including microCT scans of rocks and composite fibers, as well as high-resolution images of plant roots, integrates both quantitative metrics (SSIM, LPIPS, FID, CLIPScore) and expert-driven qualitative assessments. Results show that GANs, particularly StyleGAN, produce images with high perceptual quality and structural coherence. Diffusion-based models for inpainting and image variation, such as DALL-E 2, delivered high realism and semantic alignment but generally struggled in balancing visual fidelity with scientific accuracy. Importantly, our findings reveal limitations of standard quantitative metrics in capturing scientific relevance, underscoring the need for domain-expert validation. We conclude by discussing key challenges such as model interpretability, computational cost, and verification protocols, and discuss future directions where generative AI can drive innovation in data augmentation, simulation, and hypothesis generation in scientific research.

Generative Adversarial Networks↗

DOE OSTI2026

An agentic artificially intelligent X-ray scientist

Executing experimental tasks in both normal research laboratories and large-scale scientific facilities often requires extensive human supervision and remains a key challenge on the path to fully autonomous, artificial intelligence (AI)-driven science. Here we demonstrate a large language model-driven agent that autonomously performs X-ray sample alignment on a synchrotron beamline by planning actions, executing instrumental commands, interpreting observations and iterating towards experimental goals. Based on existing large language models with structured tool-use via the model context protocol, our AI X-ray scientist was guided and tested using an in-house-built virtual experimental setup that mirrors a six-circle diffractometer at an operational synchrotron beamline. The agentic workflow developed in the virtual environment was directly deployed on a real beamline, where it correctly identified reference reflections and determined the orientation matrix, an essential first step in any type of single-crystal scattering experiment. Our AI X-ray scientist responded effectively to unexpected experimental conditions, demonstrating adaptive problem-solving and readiness for addressing practical experimental situations. Our study provides a step towards autonomous operation across diverse experimental environments at large-scale scattering facilities.

Chen, Zhantao (ORCID:0000000319543868)↗

DOE OSTI2021

VAINE: Visualization and AI for Natural Experiments

Natural experiments are observational studies where the assignment of treatment conditions to different populations occur by chance ``in the wild''. Researchers from fields such as economics, healthcare, and the social sciences leverage natural experiments to conduct hypothesis testing and causal effect estimation for treatment and outcome variables that would otherwise be costly, infeasible, or unethical. In this paper, we introduce VAINE (Visualization and AI for Natural Experiments), a visual analytics tool for identifying and understanding natural experiments from observational data. We then demonstrate how VAINE can be used to validate causal relationships, estimate average treatment effects, and identify statistical phenomena such as Simpson’s paradox through two use cases.

Guo, Grace↗

NASA NTRS1993

System Diagnostic Builder - A rule generation tool for expert systems that do intelligent data evaluation

Consideration is given to the System Diagnostic Builder (SDB), an automated knowledge acquisition tool using state-of-the-art AI technologies. The SDB employs an inductive machine learning technique to generate rules from data sets that are classified by a subject matter expert. Thus, data are captured from the subject system, classified, and used to drive the rule generation process. These rule bases are used to represent the observable behavior of the subject system, and to represent knowledge about this system. The knowledge bases captured from the Shuttle Mission Simulator can be used as black box simulations by the Intelligent Computer Aided Training devices. The SDB can also be used to construct knowledge bases for the process control industry, such as chemical production or oil and gas production.

Nieten, Joseph↗