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DOE OSTI2026

Systems-To-Atoms (S2A): enabling hydrogen for climate security

The project addresses a critical gap in hydrogen infrastructure by integrating system-level energy models with atomic-scale material simulations in a unified Systems-to-Atoms (S2A) framework. The motivation stems from the need to develop efficient, cost-effective, and durable hydrogen transport and utilization technologies to support decarbonization of hard-to-electrify sectors such as heavy-duty transportation. Current system models lack awareness of material performance mechanisms, while material-scale models do not account for system-level usage and variability. To bridge this divide, the team developed a co-simulation capability linking techno-economic analyses, reactor/process-flow modeling, and molecular-scale catalysis simulations. Applied to hydrogen delivery in California, the framework enabled comparative evaluations of compressed, cryogenic, and liquid organic hydrogen carrier (LOHC) pathways, highlighting how catalyst operation and unit process efficiency influence overall performance. The results demonstrate that no single material or transport mode is universally optimal; instead, heterogeneous solutions tuned to specific operational contexts deliver better performance. The project delivers a new capability for cross-scale material co-design, advancing hydrogen infrastructure readiness and informing DOE and LLNL missions in climate and energy resilience.

organic↗

DOE OSTI2025

Cybersecurity Considerations for Hydrogen Infrastructure in Airport Environments

This report explores key cybersecurity concerns and best practices within environments that serve as reference points for the development of hydrogen fueling infrastructure for aviation. This cybersecurity analysis leverages prior NREL studies: 1) hydrogen fueling station component validation to identify vulnerabilities and failure events documented in physical equipment, and 2) electric aircraft charging infrastructure analysis to explore primary cybersecurity vulnerabilities. It reviews the criticality of digitized technologies in sustaining hydrogen fuel production, storage, and fueling systems, noting cybersecurity concerns that are universal to power systems and industrial control systems in general. In considering cybersecurity vulnerabilities within a future landscape of hydrogen energy for aviation applications, a reference architecture was intended to reveal the points of connection between assets and the potential sensors that are vulnerable to manipulation in the event of compromised access or communication within a SCADA system. A generalized reference architecture can help stakeholders, engineers, or strategists understand connections, criticalities, and standard practices when it comes to designing and planning for new systems. There are several gaps to account for in assessing the future of hydrogen production, storage, and fueling for aviation. Engaging stakeholders, including aircraft manufacturers, electric utilities, site property owners, and local communities, will inform decision-making around site structure, operations, and resources for future hydrogen fueling infrastructure to understand operational needs and cybersecurity awareness. Cybersecurity mitigation strategy must consider physical attack vectors that emerge with the integration of hydrogen systems into existing airport security requirements. The cybersecurity risk assessment contained in this report is an entry point into potential future granular-level analyses to be conducted as part of hazard and risk assessments for safe aviation hydrogen infrastructure, determining how the scale of hydrogen fuel infrastructure for aviation impacts the volume of cyber attack vectors, and what, if any, are the vulnerabilities associated with different types of on-board hydrogen systems. In this nascent development phase, assessing how best to integrate cybersecurity practices into an evolving U.S. aviation landscape provides critical insights into building increased awareness and stakeholder engagement to support a cyber-resilient infrastructure.

08 HYDROGEN↗

NASA NTRS2000

Bridging the Gap from Networking Technologies to Applications: Workshop Report

The objective of the Next Generation Internet (NGI) Federal program is threefold, encompassing development of networking technologies, high-performance network testbeds, and revolutionary applications. There have been notable advances in emerging network technologies and several nationwide testbeds have been established, but the integration of emerging technologies into applications is lagging. To help bridge this gap between developers of NGI networking technologies and developers of NGI applications, the NASA Research and Education Network (NREN) project hosted a two-day workshop at NASA Ames Research Center in August 1999. This paper presents a summary of the results of this workshop and also describes some of the challenges NREN is facing while incorporating new technologies into HPCC and other NASA applications. The workshop focused on three technologies - Quality of Service (QoS), advanced multicast, and security-and five major NGI application areas - telemedicine, digital earth, digital video, distributed data-intensive applications, and computational infrastructure applications. Network technology experts, application developers, and NGI testbed representatives came together at the workshop to promote cross-fertilization between the groups. Presentations on the first day, including an overview of the three technologies, application case studies and testbed status reports, laid the foundation for discussions on the second day. The objective of these latter discussions, held within smaller breakout groups, was to establish a coherent picture of the current status of the various pieces of each of the three technologies, to create a roadmap outlining future technology development, and to offer technological guidance to application developers. In this paper we first present a brief overview of the NGI applications that were represented at the workshop, focusing on the identification of technological advances that have successfully been incorporated in each application and technological challenges that remain. Next we present the technology roadmaps that were created at the workshop, summarizing the status of various mechanisms that are currently under development and forecasting when various advances are likely to occur within the next one-to-three-year time span. Then we identify issues that were raised at the workshop that might hinder technology development or that might impede integration into NGI applications. We also report some specific guidelines that were offered at the workshop to enable application developers to integrate and effectively use emerging NGI technology building blocks. Finally, we describe NREN activities to incorporate emerging technologies into NASA applications. These activities include support for other NASA High-Performance Computing and Communications Program areas such as IPG (Information Power Grid), support for NASA science enterprises such as Earth science and Mars program prototyping activities, support for satellite/terrestrial networking applications such as the TransAtlantic and TransPacific demonstrations and the Interplanetary Internet, support for NASA telemedicine applications such as the Virtual Collaborative Clinic, and participation in NGI advanced technology testbed initiatives such as the QBone and the NTON/Supernet. For each activity we highlight the primary technological challenge that is associated with it.

Johnson, Marjory J.↗

DOE OSTI2026

Data Summarization and Inference at Scale

This is the final report for the DOE ASCR grant SC-0022260, Data Summarization and Inference at Scale, PI: Alex Pothen, Purdue University. The goal of the project was to solve data-intensive and compute-intensive problems in the physical sciences, engineering, information science, data science, etc. by designing and implementing new algorithms that could work with a subset of the data. The four subgoals were: (a) The solution of problems where the data is too large to be stored in the memory of a computer. In this streaming model of computation, the data arrives as a stream of elements to the computer, each element is processed as it arrives, and a decision is made to discard the data or to store it; only a small subset of the data proportional to the size of the output solution is stored, and when all the data has been streamed, a solution to the problem is computed from the stored subset. (b) The use of machine learning methods to compute solutions to data-intensive problems. The use of GPUs is critical to obtain high performance on machine learning tasks, but their memory sizes are smaller relative to that of CPUs. For large-scale problems, the data is sampled many times, and small samples are used with repetition, for robustness, to compute solutions to inference tasks. This sampling reduces the memory required to solve the problem, but attention is needed to avoid slow convergence to the solutions, and reduced accuracy of inference. We propose submodular optimization, Large Language Models, and physics-informed neural networks to enable GPU computations here. (c) Modeling and visualization of high-dimensional data using interpretable features. Clinical proteomic data sets from immunology for the detection of cancer and other diseases are temporal and high-dimensional, and algorithms for visualizing these data sets using clinically interpretable features are lacking. We propose methods that compute distances based on the optimal transportation problem and graph edit distances to address this problem. We also propose the use of optimal transport-based distances, spatial statistics, and network structure to classify image data sets, We apply these algorithms to electron micrographs of the peripheral nervous system in the digestive tract. (d) The design of data-intensive algorithms on emerging architectures, specifically, noisy, intermediate-scale quantum (NISQ) devices. Quantum computers offer the possibility of exploring large solution spaces due to the principle of superposition, but current quantum computers are limited by few qubits, short coherence times due to noise, poor interconections among the qubits, etc. We propose the use of the divide and conquer paradigm to solve large-scale problems, wherein collections of small subproblems are solved on the quantum devices, and the solutions to the subproblems are integrated into a solution for the original problem on a classical computer.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Relative sensitivity of plastic scintillator: A comparative analysis with 60 Co gamma rays, deuterium–deuterium, and deuterium–tritium neutrons

A plastic scintillator has found extensive application in the realm of high-energy physics and national security science. Many applications in those fields often involve the simultaneous production of photons, neutrons, and charged particles, which makes the relative sensitivity information for these different radiation types important. In this study, we have adopted a multi-head detector comprised of a plastic scintillator and high gain phototubes, which provides a large dynamic range and linearity. A comparative study on the relative sensitivities of plastic scintillators was facilitated by adopting three distinct radiation calibration sources (i.e., 60 Co γ rays, DD neutrons, and DT neutrons). Neutrons from a DD source generate a comparable level of scintillation to gamma rays emitted by 60 Co (i.e., 60 Co-γ/DD-n = 0.92 ± 16%). DT neutrons induce ~3.5 times the scintillation observed with DD neutrons (i.e., DT-n/DD-n = 3.5 ± 28%). In addition, the Geant4 simulation granted us valuable insights into the relative sensitivity of the scintillator. This comparative study will provide a useful database for users in diverse applications.

47 OTHER INSTRUMENTATION↗

NASA NTRS2000

New Human-Computer Interface Concepts for Mission Operations

The current climate of budget cuts has forced the space mission operations community to reconsider how it does business. Gone are the days of building one-of-kind control centers with teams of controllers working in shifts 24 hours per day, 7 days per week. Increasingly, automation is used to significantly reduce staffing needs. In some cases, missions are moving towards lights-out operations where the ground system is run semi-autonomously. On-call operators are brought in only to resolve anomalies. Some operations concepts also call for smaller operations teams to manage an entire family of spacecraft. In the not too distant future, a skeleton crew of full-time general knowledge operators will oversee the operations of large constellations of small spacecraft, while geographically distributed specialists will be assigned to emergency response teams based on their expertise. As the operations paradigms change, so too must the tools to support the mission operations team's tasks. Tools need to be built not only to automate routine tasks, but also to communicate varying types of information to the part-time, generalist, or on-call operators and specialists more effectively. Thus, the proper design of a system's user-system interface (USI) becomes even more importance than before. Also, because the users will be accessing these systems from various locations (e.g., control center, home, on the road) via different devices with varying display capabilities (e.g., workstations, home PCs, PDAS, pagers) over connections with various bandwidths (e.g., dial-up 56k, wireless 9.6k), the same software must have different USIs to support the different types of users, their equipment, and their environments. In other words, the software must now adapt to the needs of the users! This paper will focus on the needs and the challenges of designing USIs for mission operations. After providing a general discussion of these challenges, the paper will focus on the current efforts of creatin(y an effective USI for one specific suite of tools, SERS (The Spacecraft Emergency Response System), which has been built to enable lights-out operations. SERS is a Web-based collaborative environment that enables secure distributed fault management.

Fox, Jeffrey A.↗

NASA NTRS2015

The AgMIP Coordinated Global and Regional Assessments (CGRA) of Climate Change Impacts on Agriculture and Food Security

The Agricultural Model Intercomparison and Improvement Project (AgMIP) has been working since 2010 to construct a protocol-based framework enabling regional assessments (led by regional experts and modelers) that can provide consistent inputs to global economic and integrated assessment models. These global models can then relay important global-level information that drive regional decision-making and outcomes throughout an interconnected agricultural system. AgMIPs community of nearly 800 climate, crop, livestock, economics, and IT experts has improved the state-of-the-art through model intercomparisons, validation exercises, regional integrated assessments, and the launch of AgMIP programs on all six arable continents. AgMIP is now launching Coordinated Global and Regional Assessments (CGRA) of climate change impacts on agriculture and food security to link global and regional crop and economic models using a protocol-based framework. The CGRA protocols are being developed to utilize historical observations, climate projections, and RCPsSSPs from CMIP5 (and potentially CMIP6), and will examine stakeholder-driven agricultural development and adaptation scenarios to provide cutting-edge assessments of climate changes impact on agriculture and food security. These protocols will build on the foundation of established protocols from AgMIPs 30+ activities, and will emphasize the use of multiple models, scenarios, and scales to enable an accurate assessment of related uncertainties. The CGRA is also designed to provide the outputs necessary to feed into integrated assessment models (IAMs), nutrition and food security assessments, nitrogen and carbon cycle models, and additional impact-sector assessments (e.g., water resources, land-use, biomes, urban areas). This presentation will describe the current status of CGRA planning and initial prototype experiments to demonstrate key aspects of the protocols before wider implementation ahead of the IPCC Sixth Assessment Report.

models↗

DOE OSTI2025

Deploying Adversarial Attacks in Super-Resolution Models

Reliable super-resolution methods are crucial for applications like remote sensing, grid resilience and disaster impact analysis, and standoff biometrics. These methods infuse additional high-frequency information into reconstructions, allowing for better contextualization and image intelligence. However, super-resolution models can also introduce hallucinations or other unseen vulnerabilities that could be exploited by an adversary. This is further compounded by the prominence of deep learning in these models, as models are often blindly applied on out-of-distribution images. In this work, we implement adversarial attacks in common open-source super-resolution models and examine their impact on reconstructions and downstream classification tasks. We find that an adversarially trained super-resolution model can produce high-quality reconstructions that degrade downstream classifications. Moreover, these attacks do not require access to low-resolution imagery or class labels at inference time. These results demonstrate the vulnerability of super-resolution methods to malicious actors and motivates the development of a detector for super-resolution adversarial attacks. Further exploration of adversarial attacks in this domain is required to ensure trustworthiness and robustness of super-resolution models for national security applications.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

NASA NTRS2016

Measurement and Modelling of Multicopter UAS Rotor Blades in Hover

Multicopters are becoming one of the more common and popular type of unmanned aircraft systems (UAS) which have both civilian and military applications. One example being the concept of drone deliveries proposed by the distribution company Amazon [1]. The electrical propulsion is considered to have both faster and easier deliveries and also environmental benefits compared to other vehicles that still use fossil fuel. Other examples include surveillance and just simple entertainment. The reason behind their success is often said to be due to their small size, relatively low cost, simple structure and finally simple usage. With an increase in the UAS market comes challenges in terms of security, as both people and other aircrafts could be harmed if not used correctly. Therefore further studies and regulations are needed to ensure that future use of drones, especially in the civilian and public sectors, are safe and efficient. Thorough research has been done on full scale, man or cargo transporting, helicopters so that most parts of flight and performance are fairly well understood. Yet not much of it have been verified for small multicopters. Until today many studies and research projects have been done on the control systems, navigation and aerodynamics of multicopters. Many of the methods used today for building multicopters involve a process of trial an error of what will work well together, and once that is accomplished some structural analysis of the multicopter bodies might be done to verify that the product will be strong enough and have a decent aerodynamic performance. However, not much has been done on the research of the rotor blades, especially in terms of structural stress analyses and ways to ensure that the commonly used parts are indeed safe and follow safety measures. Some producers claim that their propellers indeed have been tested, but again that usually tends towards simple fluid dynamic analyses and even simpler stress analyses. There is no real deflection measurement of said blades and all theory is today based on the theory developed for full scale helicopters. This report thus intends to highlight the problems that come with blade deflection theory and measurements for multicopters. This thesis starts with the introduction and problem formulation where the grounds for what the report contains are laid out. Then a literature review of the research within the area follows where previous and current research and methods are presented. In the background information and theory relevant to the area are presented. After that the methods and set up of the different experimental and computer simulation approaches are depicted. In the results section the obtained results are presented and compared. Lastly there is a discussion where the results and methods are evaluated and analyzed, followed by the most important conclusions.

Multicopter UAS Rotor Blades↗

DOE OSTI2025

Deep Cyber-Physical Situational Awareness for Energy Systems: A Secure Foundation for Next-Generation Energy Management

This document provides the final report for the CYPRES project. The purpose is (1) to highlight and summarize its major accomplishments and (2) to provide guidance on how its outcomes have informed and can inform important additional research and technology transfer. The goal of CYPRES was the research, development, and demonstration of a security-oriented next generation cyber-physical EMS for electric power systems that detects malicious and abnormal events through the fusion of cyber and physical data. To achieve this, the CYPRES project team researched, developed, and built a prototype of the solution, referred to as the CYPRES EMS. The CYPRES EMS is a proof-of-concept cyber-physical platform that demonstrates the management of the energy system, communications, security, and cyber-physical grid modeling and analytics. As part of the capabilities of the CYPRES EMS, the team designed and developed a suite of power system applications for monitoring, risk analyses, detection, and control that are inherently cyberaware. At its core, the project aimed to research, develop, and demonstrate a security-oriented next-generation cyber-physical Energy Management System (EMS) capable of detecting malicious and abnormal events through the innovative fusion of cyber and physical data. This approach represents a fundamental shift from traditional EMS, reimagining how critical infrastructure can be protected through unified cyber-aware and physics-aware secure data flow pipelines. The project’s cornerstone deliverable, the CYPRES EMS, serves as a proof-of-concept cyber-physical platform that revolutionizes the management of energy systems, communications, security, and cyber-physical grid modeling and analytics. This prototype implements a comprehensive suite of power system applications for monitoring, risk analyses, detection, and control, all designed with inherent cyber awareness. The system’s architecture extends from end-devices in the field through to control center applications, establishing a secure and resilient control framework that addresses the challenges posed by diverse devices of unknown trustworthiness connecting to modern power systems. Through this innovative approach to deep cyber-physical situational awareness, the CYPRES project not only advances the state-of-the-art in energy infrastructure protection but also establishes a new paradigm for how EMS can be designed, deployed, and operated in an increasingly complex threat landscape. The findings and developments from this project provide crucial insights for stakeholders across the energy sector, offering a blueprint for enhancing the reliability and resilience of our nation’s critical energy infrastructure in the face of evolving cyber threats.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2025

Cyber-Physical Tabletop Exercise for Small Modular Reactor Facilities

U.S. nuclear power facilities face increasing challenges in meeting dynamic security requirements caused by evolving and expanding threats while keeping costs reasonable to make nuclear energy competitive. This evolving threat landscape includes adversaries having offensive cyber capabilities to attack information technology (IT) systems and operation technology (OT) systems. These adversaries may have the ability to attack the physical protection system (PPS) networks with potential consequential impacts that could degrade the effectiveness of the PPS. These cyber attacks may also be used to attack the safety and operational systems used to operate and ensure the safety of the reactor. Additionally, adversaries may gain access to unmanned aerial systems (UAS) that may be used to provide reconnaissance and surveillance of the facility, provide information to the adversaries, and be equipped with kinetic capabilities such as explosives or weapons that can be used to directly attack the facility. The Department of Energy’s Office of Nuclear Energy’s Advanced Reactor Safeguards and Security (ARSS) program funded Sandia National Laboratories (SNL) and Idaho National Laboratory (INL) to develop a cyber-physical tabletop exercise (TTX). This exercise was conducted on a hypothetical small modular reactor (SMR) facility, and only considered a potential adversary cyber attack on the PPS to a physical attack on the hypothetical facility to achieve a radiological release. This cyber-physical TTX is meant to provide lessons learned to integrate the cyber security system design and the physical protection system (PPS) design to decrease design, operation, and maintenance costs as well as increase effectiveness for defending against design basis threat attacks at the facility. This TTX will also provide a framework and method for SMR and microreactor vendors to conduct their own cyber-physical TTX and gain impactful insights to improving the cyber and physical protection system design for their SMR or microreactor facility design.

42 ENGINEERING↗

DOE OSTI2025

Exploring Continuous Seismic Data at an Industry Facility Using Unsupervised Machine Learning

Seismic data recorded at industrial sites contain valuable information on anthropogenic activities. With advances in machine learning and computing power, new opportunities have emerged to explore the seismic wavefield in these complex environments. We applied two unsupervised machine learning algorithms to analyze continuous seismic data collected from an industrial facility in Texas, United States. The Uniform Manifold Approximation and Projection for Dimension Reduction algorithm was used to reduce the dimensionality of the data and generate 2D embeddings. Then, the Hierarchical Density-Based Spatial Clustering of Applications with Noise method was employed to automatically group these embeddings into distinct signal clusters. Our analysis of over 1400 hr (around 59 days) of continuous seismic data revealed five and seven signal clusters at two separate stations. At both stations, we identified clusters associated with background noise and vehicle traffic, with the latter’s temporal patterns aligning closely with the facility’s work schedule. Furthermore, the algorithms detected signal clusters from unknown sources and underline the ability of unsupervised machine learning for uncovering previously unrecognized patterns. Our analysis demonstrates the effectiveness of unsupervised approaches in examining continuous seismic data without requiring prior knowledge or pre-existing labels.

58 GEOSCIENCES↗

NASA NTRS2007

An Automated Flying-Insect Detection System

An automated flying-insect detection system (AFIDS) was developed as a proof-of-concept instrument for real-time detection and identification of flying insects. This type of system has use in public health and homeland-security decision support, agriculture and military pest management, and/or entomological research. Insects are first lured into the AFIDS integrated sphere by insect attractants. Once inside the sphere, the insect s wing beats cause alterations in light intensity that is detected by a photoelectric sensor. Following detection, the insects are encouraged (with the use of a small fan) to move out of the sphere and into a designated insect trap where they are held for taxonomic identification or serological testing. The acquired electronic wing-beat signatures are preprocessed (Fourier transformed) in real time to display a periodic signal. These signals are sent to the end user where they are graphically. All AFIDS data are preprocessed in the field with the use of a laptop computer equipped with LabVIEW. The AFIDS software can be programmed to run continuously or at specific time intervals when insects are prevalent. A special DC-restored transimpedance amplifier reduces the contributions of low-frequency background light signals, and affords approximately two orders of magnitude greater AC gain than conventional amplifiers. This greatly increases the signal-to-noise ratio and enables the detection of small changes in light intensity. The AFIDS light source consists of high-intensity Al-GaInP light-emitting diodes (LEDs). The AFIDS circuitry minimizes brightness fluctuations in the LEDs and when integrated with an integrating sphere, creates a diffuse uniform light field. The insect wing beats isotropically scatter the diffuse light in the sphere and create wing-beat signatures that are detected by the sensor. This configuration minimizes variations in signal associated with insect flight orientation. Preliminary data indicate that AFIDS has sufficient sensitivity and frequency measuring capability to differentiate between male and female mosquitoes (Figure 1, bottom panel) and fruit flies (data not shown). Similar studies show that AFIDS can be utilized to detect discrete differences between two mosquito species, Aedes aegypti and Aedes albopictus. When fully deployable, a wireless network of AFIDS monitors could be used in combination with other remotely sensed data and visually displayed in a geographic information system (GIS) to provide real-time surveillance (see Figure 2). More accurate and sensitive insect population forecasts and effective rapid response and mitigation of insect issues would then be possible.

Vann, Timi↗

DOE OSTI2025

Securing Federated Learning Against Active Reconstruction Attacks

Federated Learning (FL) has amassed notable attention for its ability to preserve user privacy while emphasizing the retainment of model training efficiency. Due to this potential, FL has been integrated in many domains, such as healthcare, finance, law, and industrial engineering, where data cannot be easily exchanged due to sensitive information and strict privacy laws. However, current research has indicated that FL protocols are easily compromised by active data reconstruction attacks employed by actively dishonest servers. The malicious modification of global model parameters allows an actively dishonest server to obtain a direct copy of users’ private data via gradient inversion. Here, this class of attacks is highly underexplored and continues to be a major challenge due to the intense threat model. In this paper, we propose OASIS as a scalable and modality-agnostic defense based on data augmentation that counteracts active data reconstruction attacks while preserving model performance. To generalize our defense, we uncover the intuition behind gradient inversion that enables these attacks and theoretically establish the conditions by which the defense can be considered robust regardless of attack design. From this, we formulate our defense with data augmentation that illustrates its ability to undermine the attack principle. We evaluate OASIS on five real-world datasets–two image-based (ImageNet and CIFAR100) and three text-based (Wikitext, Stack Overflow, and Shakespeare)–which span diverse uses cases such as vision tasks and language modeling. Comprehensive evaluations on these datasets exhibit the efficacy of OASIS and highlight its feasibility as a solution.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Playing Nonlocal Games across a Topological Phase Transition on a Quantum Computer

Many-body quantum games provide a natural perspective on phases of matter in quantum hardware, crisply relating the quantum correlations inherent in phases of matter to the securing of quantum advantage at a device-oriented task. In this Letter, we introduce a family of multiplayer quantum games for which topologically ordered phases of matter are a resource yielding quantum advantage. Unlike previous examples, quantum advantage persists away from the exactly solvable point and is robust to arbitrary local perturbations, irrespective of system size. We demonstrate this robustness experimentally on Quantinuum’s H1-1 quantum computer by playing the game with a continuous family of randomly deformed toric code states that can be created with constant-depth circuits leveraging midcircuit measurements and unitary feedback. We are thus able to tune through a topological phase transition—witnessed by the loss of robust quantum advantage—on currently available quantum hardware. This behavior is contrasted with an analogous family of deformed Greenberger-Horne-Zeilinger states, for which arbitrarily weak local perturbations destroy quantum advantage in the thermodynamic limit. Lastly, we discuss a topological interpretation of the game, which leads to a natural generalization involving an arbitrary number of players.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

MaTableGPT: GPT‐Based Table Data Extractor from Materials Science Literature

Abstract Efficiently extracting data from tables in the scientific literature is pivotal for building large‐scale databases. However, the tables reported in materials science papers exist in highly diverse forms; thus, rule‐based extractions are an ineffective approach. To overcome this challenge, the study presents MaTableGPT, which is a GPT‐based table data extractor from the materials science literature. MaTableGPT features key strategies of table data representation and table splitting for better GPT comprehension and filtering hallucinated information through follow‐up questions. When applied to a vast volume of water splitting catalysis literature, MaTableGPT achieves an extraction accuracy (total F1 score) of up to 96.8%. Through comprehensive evaluations of the GPT usage cost, labeling cost, and extraction accuracy for the learning methods of zero‐shot, few‐shot, and fine‐tuning, the study presents a Pareto‐front mapping where the few‐shot learning method is found to be the most balanced solution owing to both its high extraction accuracy (total F1 score >95%) and low cost (GPT usage cost of 5.97 US dollars and labeling cost of 10 I/O paired examples). The statistical analyses conducted on the database generated by MaTableGPT revealed valuable insights into the distribution of the overpotential and elemental utilization across the reported catalysts in the water splitting literature.

Yi, Gyeong Hoon [Computational Science Research Ce↗

NASA NTRS1994

Technology Benefit Estimator (T/BEST): User's Manual

The Technology Benefit Estimator (T/BEST) system is a formal method to assess advanced technologies and quantify the benefit contributions for prioritization. T/BEST may be used to provide guidelines to identify and prioritize high payoff research areas, help manage research and limited resources, show the link between advanced concepts and the bottom line, i.e., accrued benefit and value, and to communicate credibly the benefits of research. The T/BEST software computer program is specifically designed to estimating benefits, and benefit sensitivities, of introducing new technologies into existing propulsion systems. Key engine cycle, structural, fluid, mission and cost analysis modules are used to provide a framework for interfacing with advanced technologies. An open-ended, modular approach is used to allow for modification and addition of both key and advanced technology modules. T/BEST has a hierarchical framework that yields varying levels of benefit estimation accuracy that are dependent on the degree of input detail available. This hierarchical feature permits rapid estimation of technology benefits even when the technology is at the conceptual stage. As knowledge of the technology details increases the accuracy of the benefit analysis increases. Included in T/BEST's framework are correlations developed from a statistical data base that is relied upon if there is insufficient information given in a particular area, e.g., fuel capacity or aircraft landing weight. Statistical predictions are not required if these data are specified in the mission requirements. The engine cycle, structural fluid, cost, noise, and emissions analyses interact with the default or user material and component libraries to yield estimates of specific global benefits: range, speed, thrust, capacity, component life, noise, emissions, specific fuel consumption, component and engine weights, pre-certification test, mission performance engine cost, direct operating cost, life cycle cost, manufacturing cost, development cost, risk, and development time. Currently, T/BEST operates on stand-alone or networked workstations, and uses a UNIX shell or script to control the operation of interfaced FORTRAN based analyses. T/BEST's interface structure works equally well with non-FORTRAN or mixed software analysis. This interface structure is designed to maintain the integrity of the expert's analyses by interfacing with expert's existing input and output files. Parameter input and output data (e.g., number of blades, hub diameters, etc.) are passed via T/BEST's neutral file, while copious data (e.g., finite element models, profiles, etc.) are passed via file pointers that point to the expert's analyses output files. In order to make the communications between the T/BEST's neutral file and attached analyses codes simple, only two software commands, PUT and GET, are required. This simplicity permits easy access to all input and output variables contained within the neutral file. Both public domain and proprietary analyses codes may be attached with a minimal amount of effort, while maintaining full data and analysis integrity, and security. T/BESt's sotware framework, status, beginner-to-expert operation, interface architecture, analysis module addition, and key analysis modules are discussed. Representative examples of T/BEST benefit analyses are shown.

Generazio, Edward R.↗

DOE OSTI2024

Safety in Artificial Intelligence: Challenges and Opportunities for the U.S. National Labs and Beyond

This report discusses the importance of the critical and underexplored topic of artificial intelligence (AI) safety, as highlighted during the “Strategy Alignment on AI Safety” workshop convened at Lawrence Livermore National Laboratory (LLNL) in April 2024. Through a summary of keynote talks, panel discussions, and breakout sessions, world-leading AI safety experts from academic, industry, national labs, and government agencies clearly agree on the need for and importance of large-scale investments for research and capabilities in AI safety. With the field innovating at unprecedented rates, there is increasing urgency to develop novel evaluation methodologies that allow full considerations of risks/threats of AI technologies in different domains. Quantitative metrics and effective methodologies that can evaluate and audit the “safeness” of how a given AI technology is trained, deployed, or regulated are, at best, nascent for certain scenarios or, more commonly, nonexistent. This maturation gap presents the possibility of serious threats to national security, and further inaction may have serious consequences. Additionally, the gap between the public’s and research community’s perceptions of AI risks/rewards is significant. While numerous voices from the AI community have expressed concern that the risks could be so high that future AI systems could inflict extinction-level damage to humanity if deployed incorrectly, the public largely is aware only of risk in low-impact scenarios. This discrepancy highlights the crucial need for researchers to articulate to governmental bodies what, why, and when various AI risks matter as part of motivating funding requests. Thus, the call to action for this community is to pursue AI safety as a “Big Science” project on a scale comparable to the Manhattan Project. High risks and high payoffs are on the table, but safe AI is a fast-moving target, and large-scale investments are needed to guide development of this technology in a responsible way. We highlight the need for a multilayered solution combining the development of new methods and algorithmic approaches to mitigate threats with an active participation of the government(s) in setting high industry standards and regulations based on state-of-the-art technology. The U.S. Department of Energy (DOE) national laboratories have served as leading institutions for scientific innovation in the U.S. for more than 70 years. Drawing on their expertise in the AI community and their history of safeguarding critical and sensitive information, and as we look to the future, national labs are the best choice for evaluating and safeguarding AI technologies.

97 MATHEMATICS AND COMPUTING↗