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At least 19 records

Beyond Human Vision: Exploring Materials with Machine Intelligence

Machine intelligence has the potential to revolutionize materials science, enabling autonomous synthesis, self-driving characterization, and accelerated modeling. However, despite the promise, successful implementation of these methods in day-to-day research remains a challenge. This talk will delve into the reasons behind this, exploring how truly intelligent experiments are hindered by opaque experiment control, a lack of domain-specific models, and human-centric design. Through a focus on the characterization of next-generation microelectronics and energy storage materials, I will share insights from both successful and failed attempts to implement machine intelligence. We will then explore the next steps necessary to unlock the full potential of machine intelligence in materials science, creating a future where intelligent systems work seamlessly alongside researchers to drive innovation and discovery.

artificial intelligence

Radiation‐Resistant Aluminum Alloy for Space Missions in the Extreme Environment of the Solar System

Future human exploration of the solar system demands advanced materials capable of withstanding extreme environments, particularly exposure to solar energetic particle radiation. Current material selection criteria for space applications prioritize a high strength-to-weight ratio, high corrosion resistance and manufacturability, favoring age-hardenable Al-based alloys. However, conventional precipitation-hardened Al alloys suffer from irradiation-assisted dissolution of strengthening phases at doses as low as 0.2 displacements-per-atom (dpa), undermining their performance. Furthermore, these alloys develop radiation-induced defects, such as dislocation loops and voids, even at low doses. This study presents a novel ultrafine-grained (UFG) Al-based alloy, designed using the crossover alloying concept and strengthened by T-phase precipitates, featuring a chemically-complex structure with 162 atoms in its unit cell composed of Mg 32 (Zn,Al) 49 . It is showed that T-phase precipitates have exceptional radiation tolerance up to 24 dpa. Owing to the nanoscale UFG structure, dislocation loops are suppressed, and voids are only observed beyond 75 dpa. Microtensile tests up to 20 dpa confirm the preservation of mechanical performance under irradiation. The results underline the potential of this alloy as a radiation-resistant, lightweight material for future space applications. Three key strategies enable this performance: (i) stabilization of a UFG microstructure, (ii) T-phase precipitation featuring a highly negative Gibbs free energy and chemically-complex giant unit cell, and (iii) precise process control to prevent grain growth during heat treatment and irradiation.

36 MATERIALS SCIENCE

In vivo mapping of mutagenesis sensitivity of human enhancers

Distant-acting enhancers are central to human development1. However, our limited understanding of their functional sequence features prevents the interpretation of enhancer mutations in disease2. Here we determined the functional sensitivity to mutagenesis of human developmental enhancers in vivo. Focusing on seven enhancers that are active in the developing brain, heart, limb and face, we created over 1,700 transgenic mice for over 260 mutagenized enhancer alleles. Systematic mutation of 12-base-pair blocks collectively altered each sequence feature in each enhancer at least once. We show that 69% of all blocks are required for normal in vivo activity, with mutations more commonly resulting in loss (60%) than in gain (9%) of function. Using predictive modelling, we annotated critical nucleotides at the base-pair resolution. The vast majority of motifs predicted by these machine learning models (88%) coincided with changes in in vivo function, and the models showed considerable sensitivity, identifying 59% of all functional blocks. Taken together, our results reveal that human enhancers contain a high density of sequence features that are required for their normal in vivo function and provide a rich resource for further exploration of human enhancer logic.

Kosicki, Michael

Exploring the environmental drivers of human blastomycosis cases in the Midwestern United States

Blastomycosis is a fungal infection endemic to the eastern United States (US) and Canada caused by the inhalation of the fungi Blastomyces spp. Currently, the environmental drivers of disease dynamics are poorly understood. The goal of our work was to explore what environmental conditions are associated with the annual presence of blastomycosis cases, and therefore are potentially explanatory of the ecological niche of Blastomyces. We examined the relationships between reported cases of blastomycosis in three Midwestern US states (Michigan, Minnesota, and Wisconsin) from 2007–2017 in relation to eleven hypothesized environmental conditions, including climate, stream and soil mineral content, and land cover variables. Then, we fit logistic regression models to explore the relationships between the environmental variables and yearly blastomycosis case occurrence. Mean soil moisture, stream sediment mercury content, percent of water within the county, and woody wetlands land cover were all positively associated with the presence of annual cases, with woody wetlands having the most consistent signal across the three states. We also found significant differences in the likelihood of case presence between US states that were not explained by the variables in our model, suggesting state-level differences in case reporting and disease awareness. Our results provide a perspective on potential biological hypotheses to further test regarding environmental controls on the life cycle and ecological niche of Blastomyces.

54 ENVIRONMENTAL SCIENCES

E3SM‐GCAM: A Synchronously Coupled Human Component in the E3SM Earth System Model Enables Novel Human‐Earth Feedback Research

Abstract Modeling human‐environment feedbacks is critical for assessing the effectiveness of climate change mitigation and adaptation strategies under a changing climate. The Energy Exascale Earth System Model (E3SM) now includes a human component, with the Global Change Analysis Model (GCAM) at its core, that is synchronously coupled with the land and atmosphere components through the E3SM coupling software. Terrestrial productivity is passed from E3SM to GCAM to make climate‐responsive land use and CO 2 emission projections for the next 5‐year period, which are interpolated and passed to E3SM annually. Key variables affected by the incorporation of these feedbacks include land use/cover change, crop prices, terrestrial carbon, local surface temperature, and climate extremes. Regional differences are more pronounced than global differences because the effects are driven primarily by differences in land use. This novel system enables a new type of scenario development and provides a powerful modeling framework that facilitates the addition of other feedbacks between these models. This system has the potential to explore how human responses to climate change impacts in a variety of sectors, including heating/cooling energy demand, water management, and energy production, may alter emissions trajectories and Earth system changes. Plain Language Summary Earth system models help us understand how humans are changing the climate. Currently, these models do not include human systems, so predetermined greenhouse gas, aerosol, and land use change data are input to these models. These data do not reflect human responses to changes projected by Earth system models. We have added a human component to an Earth system model to represent human responses to environmental change and calculate corresponding greenhouse gas and land use change data instead of using predetermined data. Including this human component changes projections of land use, land carbon storage, and regional climate. Key Points We have incorporated a novel, advanceable human component in an Earth system model to simulate human‐Earth feedbacks Including terrestrial productivity feedbacks from the Earth to the human systems affects land change, crop prices, carbon, and climate Regional effects of including terrestrial productivity feedbacks are greater than global effects because land change is the main driver

E3SM

Long-term hydro-economic analysis tool for evaluating global groundwater cost and supply: Superwell v1.1

Abstract. Groundwater plays a key role in meeting water demands, supplying over 40 % of irrigation water globally, with this role likely to grow as water demands and surface water variability increase. A better understanding of the future role of groundwater in meeting sectoral demands requires an integrated hydro-economic evaluation of its cost and availability. Yet substantial gaps remain in our knowledge and modeling capabilities related to groundwater availability, recharge, feasible locations for extraction, extractable volumes, and associated extraction costs, which are essential for large-scale analyses of integrated human–water system scenarios, particularly at the global scale. To address these needs, we developed Superwell, a physics-based groundwater extraction and cost accounting model that operates at sub-annual temporal and at the coarsest 0.5° (≈50 km × 50 km) gridded spatial resolution with global coverage. The model produces location-specific groundwater supply–cost curves that provide the levelized cost to access different quantities of available groundwater. The inputs to Superwell include recent high-resolution hydrogeologic datasets of permeability, porosity, aquifer thickness, depth to water table, recharge, and hydrogeological complexity zones. It also accounts for well capital and maintenance costs, as well as the energy costs required to lift water to the surface. The model employs a Theis-based scheme coupled with an amortization-based cost accounting formulation to simulate groundwater extraction and quantify the cost of groundwater pumping. The result is a spatiotemporally flexible, physically realistic, economics-based model that produces groundwater supply–cost curves. We show examples of these supply–cost curves and the insights that can be derived from them across a set of scenarios designed to explore model outcomes. The supply–cost curves produced by the model show that most (90 %) nonrenewable groundwater in storage globally is extractable at costs lower than USD 0.57 m−3, while half of the volume remains extractable at under USD 0.108 m−3. The global unit cost is estimated to range from a minimum of USD 0.004 m−3 to a maximum of USD 3.971 m−3. We also demonstrate and discuss examples of how these cost curves could be used by linking Superwell's outputs with other models to explore coupled human–environmental system challenges, such as water resources planning and management, or broader analyses of multisectoral feedbacks.

Global Change Analysis Model (GCAM)

A Scoping Review of Mixed Initiative Visual Analytics in the Automation Renaissance

Artificial agents are increasingly integrated into data analysis workflows, carrying out tasks that were primarily done by humans. Our research explores how the introduction of automation recalibrates the dynamic between humans and automating technology. To explore this question, we conducted a scoping review encompassing twenty years of mixed-initiative visual analytic systems. To describe and contrast the relationship between humans and automation, we developed an integrated taxonomy to delineate the objectives of these mixed-initiative visual analytics tools, how much automation they support, and the assumed roles of humans. Here, we describe our qualitative approach of integrating existing theoretical frameworks with new codes we developed. Our analysis shows that the visualization research literature lacks consensus on the definition of mixed-initiative systems and explores a limited potential of the collaborative interaction landscape between people and automation. Our research provides a scaffold to advance the discussion of human-AI collaboration during visual data analysis. Our integrated taxonomy is available in the form of a web application on https://smonadjemi.github.io/miva.

Monadjemi, Shayan [ORNL] (ORCID:0000000293855969)

CHEMREASONER: Heuristic Search over a Large Language Model’s Knowledge Space using Quantum-Chemical Feedback

The discovery of new catalysts is essential for the design of new and more efficient chemical processes in order to transition to a sustainable future. We introduce an AI-guided computational screening framework unifying linguistic reasoning with quantum-chemistry based feedback from 3D atomistic representations. Our approach formulates catalyst discovery as an uncertain environment where an agent actively searches for highly effective catalysts via the iterative combination of large language model (LLM)-derived hypotheses and atomistic graph neural network (GNN)-derived feedback. Identified catalysts in intermediate search steps undergo structural evaluation based on spatial orientation, reaction pathways, and stability. Scoring functions based on adsorption energies and barriers steer the exploration in the LLM's knowledge space toward energetically favorable, high-efficiency catalysts. We introduce planning methods that automatically guide the exploration without human input, providing competitive performance against expert-enumerated chemical descriptor-based implementations. By integrating language-guided reasoning with computational chemistry feedback, our work pioneers AI-accelerated, trustworthy catalyst discovery.

artificial intelligence

Fleet Algorithm Design for Pooled Rideshare: Integrating Human Factors, Simulation, and Optimization

This dissertation explores the study the integration of human factors modeling and rideshare fleet control algorithms. Pooled rideshare is a unique transportation mode offering that allows riders increased flexibility and accessibility over public transportation, and decreased cost relative to personal vehicles or traditional rideshare. Additionally, relative to personal vehicles, pooled rideshare offers reduced costs and options for those with difficulty obtaining transportation. Prior research in the space typically focused on modeling human behavior, or optimizing system performance, but a lack of integration of the concepts leads to unrealistic or underutilized outcomes. To tackle this problem, novel rideshare assignment, and repositioning strategies were designed and implemented in a simulation environment. Through a series of successive studies, improvements to current rideshare processes were identified, and beneficial outcomes for profitability, accessibility, and traffic were explored. Further, improved metrics to assess rideshare performance were designed and analyzed in the context of improved rideshare offerings. This research contributes to the field of transportation by tackling novel but pragmatic approaches to challenges facing the rideshare industry. Through the course of this dissertation, rideshares impacts on users, operators, and even regulators will be explored in detail. The justification behind the use of a simulation environment, a set of simulated regional models for testing, and the focus on realism and deployability is illustrated. The research identifies holes in potential markets for the use of both private, and public rideshare systems.

Paul, Joseph

Toward Accelerating Discovery via Physics-Driven and Interactive Multifidelity Bayesian Optimization

Both computational and experimental material discovery bring forth the challenge of exploring multidimensional and often nondifferentiable parameter spaces, such as phase diagrams of Hamiltonians with multiple interactions, composition spaces of combinatorial libraries, processing spaces, and molecular embedding spaces. Often these systems are expensive or time consuming to evaluate a single instance, and hence classical approaches based on exhaustive grid or random search are too data intensive. This resulted in strong interest toward active learning methods such as Bayesian optimization (BO) where the adaptive exploration occurs based on human learning (discovery) objective. However, classical BO is based on a predefined optimization target, and policies balancing exploration and exploitation are purely data driven. In practical settings, the domain expert can pose prior knowledge of the system in the form of partially known physics laws and exploration policies often vary during the experiment. Here, we propose an interactive workflow building on multifidelity BO (MFBO), starting with classical (data-driven) MFBO, then expand to a proposed structured (physics-driven) structured MFBO (sMFBO), and finally extend it to allow human-in-the-loop interactive interactive MFBO (iMFBO) workflows for adaptive and domain expert aligned exploration. These approaches are demonstrated over highly nonsmooth multifidelity simulation data generated from an Ising model, considering spin–spin interaction as parameter space, lattice sizes as fidelity spaces, and the objective as maximizing heat capacity. Detailed analysis and comparison show the impact of physics knowledge injection and real-time human decisions for improved exploration with increased alignment to ground truth. Here, the associated notebooks allow to reproduce the reported analyses and apply them to other systems.

97 MATHEMATICS AND COMPUTING

Challenges and Technology-Driven Opportunities for Safeguarding Microreactors

Nuclear microreactors (MRs) represent a new class of reactors characterized by their compactness, portability, and low power output. These features enable MRs to supply electricity and process heat to remote areas like military bases; inaccessible locations; small grids, such as on islands; or disaster impacted areas. Compared to traditional light water reactors, MRs have a unique set of attributes that need to be considered for the implementation of safeguard strategies. Current safeguard methodologies are reactor technology specific and are employed on large, stationary reactors where there is easy access by safeguards inspectors and where safeguard equipment can be easily installed and retrofitted. While there are numerous benefits to MRs, their compact size, portability, scalability, and operational lifetime create challenges to the traditional safeguard approaches, thus needing novel safeguard strategies. Here, this paper addresses the unique challenges posed by MRs to the international nuclear safeguards regime, including limited human resources, and explores how technology advancements can help mitigate these challenges. Specifically, it examines novel technologies that could contribute to establishing a comprehensive safeguards framework for MRs. These safeguards-enabling technologies encompass safeguards by design, remote sensing and monitoring technologies, applications of artificial intelligence and machine learning algorithms, utilization of digital twins, and system of systems assessments. While each of these safeguards-enabling technologies offers partial solutions to the challenges posed by MRs for the international safeguards regime, none of them alone can entirely address these challenges. Consequently, a combination of the safeguards-enabling technologies outlined in this paper is recommended to establish a robust safeguards regime for MRs.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P

A compact, low-power epithermal neutron counter for lunar water detection

The detection and characterization of lunar water are critical for enabling sustainable human and robotic exploration of the Moon. Orbital neutron spectrometers, such as instruments on Lunar Prospector and the Lunar Reconnaissance Orbiter, have revealed hydrogen-rich regions near the poles but are limited by coarse spatial resolution and low counting efficiency. We present a compact, lightweight, and low-power epithermal neutron detector based on boron-coated silicon imagers, designed to probe subsurface hydrogen at decimeter scales from mobile platforms such as lunar rovers. This instrument leverages the high neutron capture cross-section of 10 B to convert epithermal neutrons into detectable α and 7 Li ions in a fully-depleted silicon imager, providing a unique event topology to identify neutrons while suppressing backgrounds. Monte Carlo simulations demonstrate that a 3 μm boron layer achieves optimal neutron detection efficiency, further enhanced with polyethylene moderation to improve sensitivity to the 0.4 eV–500 keV epithermal energy range. For a 10 cm 2 active area, the detector achieves sensitivity to H 2 O weight fractions as low as 0.01 wt% in a 15 minute measurement. This scalable, portable, low-mass design is well-suited for integration into upcoming Artemis and commercial lunar rovers, providing a transformative capability for in-situ resource prospecting and ground-truth validation of orbital measurements.

Detector modelling and simulations I (interaction

Characterizing the multisectoral impacts of future global hydrologic variability

There is significant uncertainty in how global water supply will evolve in the future, due to uncertain climate, socioeconomic, and land use change drivers and variability of hydrologic processes. It is critical to characterize the potential impacts of uncertainty in future water supply given its importance for food and energy production. In this work, we introduce a framework that integrates stochastic hydrology and human-environmental systems to characterize uncertainty in future water supply and its multisector impacts. We develop a global stochastic watershed model and demonstrate that this model can generate a large ensemble of realizations of basin-scale runoff with global coverage that preserves the mean, variance, and spatial correlation of a historical benchmark. We couple this model with a well-known human-environmental systems model to explore the impacts of runoff variability on the water and agricultural sectors across spatial scales. We find that the impacts of future hydrologic variability vary across sectors and regions. Impacts are felt most strongly in the water and agricultural sectors for basins that are expected to have unsustainable water use in the future, such as the Indus River basin. For this basin, we find that the variability in future irrigation water withdrawals and irrigated cropland increase over time due to uncertainty in renewable water supply. We also use the Indus basin to show how our stochastic ensemble can be leveraged to explore the global multisector consequences of local extreme runoff conditions. This work introduces a novel technique to explore the propagation of future hydrologic variability across human and natural systems and spatial scales.

54 ENVIRONMENTAL SCIENCES

Powertrain Autoresearch (TETA Autoresearch: RouteE Powertrain Experiments) [SWR-26-090]

Powertrain Autoresearch is an experiment repository based on the template set in teta-autoresearch containing branch history of LLM workers investigating powertrain ML model improvements. This repository contains an instance of teta-autoresearch applied to ML model exploration for RouteE Powertrain. An AI agent and human-in-the-loop iteratively explored feature space, ML model type, and hyperparameter spaces in an attempt to improve over existing models. The repo catalogs the result for review at USRSE 2026 Conference. Related: https://github.com/NatLabRockies/teta-autoresearch.

Reinicke, Nicholas [National Laboratory of the Roc

Human Factors Considerations in Artificial Intelligence Applications for Nuclear Power Plants

In recent years, there has been a wave of artificial intelligence (AI) technologies that offer to solve problems from shopping habits to mortgage approvals to critical systems operations. The rapidity of the development of these systems has led to both excitement and apprehension about the roles these systems should play in our modern societies. Furthermore, this paper focuses on the critical infrastructure industry, in general, and nuclear power generation, in particular, and seeks to scrutinize how we can leverage these novel technologies in human-centered ways to maintain or enhance the established high levels of reliability and resilience in these industries. First, we discuss the broader aspects of cognitive systems and activities that are critical to understanding the human-AI space. Then we explore different approaches to explainability in AI and the notions of trust. We then move on to discuss several human factors concepts and methods and how they can support the design of human-AI teams. We then explore recent research related to nuclear power that has been undertaken and evaluate the current industry and regulatory landscapes. Finally, we discuss identified research gaps and recommendations for solving these for the critical infrastructure space.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS

Crafting pixels in wood: understanding the interplay of technologies and visual perception in wooden photo engraving

This paper delves into the realm of laser engraving of photographs on wooden surfaces and explores the diferences between mathematical and human perception. A comprehensive quality study was conducted to explore the results achieved by 27 diferent realizations. The evaluation process involves both objective analyses and subjective assessments from hundreds of ratings of 60 evaluators, with the aim of unravelling the intricate interplay between technology and visual perception. The study also poses the intriguing question of whether the image most accurately transferred onto a wooden surface is also the most favourably perceived by potential customers and what are their preferences for laser engraved products.

Jurek, Martin [Ostrava, Tech. U.]