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All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Securing The Future: 2026 Manufacturing & Critical Infrastructure Threat Landscape

This report outlines the current state of manufacturing weaknesses introduced by the complexities of modern environments, including cloud services and Internet of Things (IoT) devices, with particular attention paid to the unique vulnerabilities encountered by SMMs. It also highlights CyManII’s strategic initiatives and collaborative solutions to mitigate these risks and strengthen the cybersecurity posture of the manufacturing ecosystem. Utilizing data from 2025 to inform forward-looking mitigation strategies, this report provides manufacturers with a clear understanding of both current and emerging cybersecurity threats, as well as practical opportunities to strengthen their cyber ecosystems. The following sections detail key vulnerabilities and threat vectors, along with actionable mitigation strategies, many of which have been developed or piloted through CyManII-led efforts. A thorough understanding of these risks and mitigation strategies is essential for manufacturers seeking to strengthen the security and resilience of their manufacturing operations.

3D Printing↗
DOE OSTI2026

AI-Ready Data Pilot Project Report

The proliferation of artificial intelligence in scientific research has created an urgent need to define "AI-ready data" for researchers and, more importantly, provide resources to help them produce AI-ready data. At Pacific Northwest National Laboratory, we conducted a pilot study with three data scientists evaluating three CSV datasets from different scientific domains, followed by semi-structured interviews capturing assessment practices. Our findings reveal that AI-readiness evaluation is intuition-based, with practitioners asking "How fast can I go from raw data to my machine learning pipeline?" Data scientists consistently prioritized workflow efficiency, human interpretability, and quality stewardship signals. From these insights, we developed a practical evaluation framework comprising data requirements, metadata standards, and validation tests that provides actionable criteria for producing and curating AI-ready datasets, addressing the gap between theoretical understanding and practical implementation.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Diffusion Model-Guided Inverse Design of Bimetallic Catalysts for Ammonia Decomposition

In the past decade, artificial intelligence and deep learning have played increasingly prominent roles in materials design and discovery. Among these, generative AI models, known for their ability to create unique and complex structures, have emerged as state-of-the-art tools for materials screening due to their high efficiency and low computational cost. In catalysis, one of the major challenges is identifying promising material candidates within an immense chemical space. This challenge can be addressed using generative approaches, such as diffusion-based inverse design models. In this study, we present a machine learning-guided workflow that employed a diffusion model for the inverse design of bimetallic alloy catalysts for low-carbon ammonia decomposition, a key reaction for ammonia emission control and sustainable hydrogen production. Catalyst candidates were evaluated using nitrogen adsorption energy as the key descriptor, inspired by multiscale modeling. The proposed workflow identified low-cost, environmentally friendly catalysts with excellent catalytic performance, which have been validated theoretically and experimentally. Our framework decoupled the generative and property-prediction components, enhancing both flexibility and accuracy in the catalytic material design process.

Adsorption↗
DOE OSTI2026

Good practices for documenting AI-based studies on energy and buildings

Artificial intelligence has transformed building science research over the past decade, with applications spanning energy modeling, energy prediction, HVAC optimization and controls, fault detection, and occupancy modeling. However, many studies lack adequate documentation of datasets, algorithms, training procedures, and validation methods. Building science research faces additional challenges including inconsistent evaluation metrics, limited generalizability across building types, climates, and significant gaps between experimental studies and deployed systems. This communication provides practical guidance for good practices in documenting and publishing AI-based research following established standards from the computer science and machine learning communities. By adopting frameworks such as Datasheets for Datasets, Model Cards, and standardized reproducibility checklists, researchers can ensure their work meets the rigorous documentation standards necessary for reproducible, comparable, and impactful building science research.

Hong, Tianzhen [Lawrence Berkeley National Laborat↗
DOE OSTI2024

Variation in forest root image annotation by experts, novices, and AI

Abstract Background The manual study of root dynamics using images requires huge investments of time and resources and is prone to previously poorly quantified annotator bias. Artificial intelligence (AI) image-processing tools have been successful in overcoming limitations of manual annotation in homogeneous soils, but their efficiency and accuracy is yet to be widely tested on less homogenous, non-agricultural soil profiles, e.g., that of forests, from which data on root dynamics are key to understanding the carbon cycle. Here, we quantify variance in root length measured by human annotators with varying experience levels. We evaluate the application of a convolutional neural network (CNN) model, trained on a software accessible to researchers without a machine learning background, on a heterogeneous minirhizotron image dataset taken in a multispecies, mature, deciduous temperate forest. Results Less experienced annotators consistently identified more root length than experienced annotators. Root length annotation also varied between experienced annotators. The CNN root length results were neither precise nor accurate, taking ~ 10% of the time but significantly overestimating root length compared to expert manual annotation ( p = 0.01). The CNN net root length change results were closer to manual ( p = 0.08) but there remained substantial variation. Conclusions Manual root length annotation is contingent on the individual annotator. The only accessible CNN model cannot yet produce root data of sufficient accuracy and precision for ecological applications when applied to a complex, heterogeneous forest image dataset. A continuing evaluation and development of accessible CNNs for natural ecosystems is required.

Handy, Grace↗
NASA NTRSDate not supplied

Datascope to Enable Earth Independent Medical Operations (EIMO)

BACKGROUND: NASA has amassed sixty years of knowledge and experience relevant to maintenance of crew health and performance in low earth orbit. The Apollo Program introduced the importance of ensuring progressively autonomous operational capability. Earth Independent Medical Operations (EIMO) will require a gradual shift in the balance of medical responsibility, management, and authority from terrestrial to space-based assets. Terrestrial assets will continue to be essential for pre-mission screening and planning in addition to maintenance of crew health and performance. However, new capabilities are needed to enable EIMO and the amount of data required to support these systems, and mitigate the impacts of data transmission delays and reduced bandwidth coupled with lack of cloud-like resources and on-board computing capacity that is currently unclear or operationally insufficient. OVERVIEW: The overall goal of EIMO is to develop artificial intelligence (AI)-based solutions to analyze crew health and performance data utilizing a clinical decision support system (CDSS) to provide crew medical officers (CMO) with the equivalent of real-time, on-board medical consults. The EIMO ecosystem is envisioned as a “system of systems” where embedded reference databases and real-time data streams from multiple input vectors continuously and seamlessly assess crew health and performance. EIMO will be designed to make recommendations to the CMO using multi-modal AI-based natural language processing and machine learning methods with interoperability to push/pull data within and between multiple vehicle and habitat architectures. DISCUSSION: Data flows and storage/retrieval capacity are severely constrained during space missions and the challenges will become even greater during exploration missions. Just as each past program from Mercury to the International Space Station (ISS) required rethinking the interaction between ground-based controllers and space-based crew, so too will future missions to the Moon and Mars. While the NASA High-Performance Spaceflight Computing Processor project aims to increase computational capacity by 100 times over current spaceflight computers, the projected deliverable still lags considerably behind what will be needed to enable an AI-driven CDSS. Restrictions in processing speed and data storage capacity, coupled with transmission bottlenecks and delays, necessitate definition and optimization of an integrated data architecture to enable a progressively autonomous medical capability.

Medical operations↗
DOE OSTI2025

The Artificial Intelligence Ontology: LLM-Assisted Construction of AI Concept Hierarchies

The Artificial Intelligence Ontology (AIO) is a systematization of artificial intelligence (AI) concepts, methodologies, and their interrelations. Developed via manual curation, with the additional assistance of large language models (LLMs), AIO aims to address the rapidly evolving landscape of AI by providing a comprehensive framework that encompasses both technical and ethical aspects of AI technologies. The primary audience for AIO includes AI researchers, developers, and educators seeking standardized terminology and concepts within the AI domain. We use the term “branches” for classes, and their subclasses, in our ontology that are subclasses of owl:Thing. AIO contains eight branches: Bias, Layer, Machine Learning Task, Mathematical Function, Model, Network, Preprocessing, and Training Strategy, each designed to support the modular composition of AI methods and facilitate a deeper understanding of deep learning architectures and ethical considerations in AI. AIO uses the Ontology Development Kit (ODK) for its creation and maintenance, with its content being more easily updated through AI-driven curation support. This approach not only ensures the ontology's relevance amidst the fast-paced advancements in AI but also significantly enhances its utility for researchers, developers, and educators by simplifying the integration of new AI concepts and methodologies. The ontology's utility is demonstrated through the annotation of AI methods data in a catalog of AI research publications and the integration into the BioPortal ontology resource, highlighting its potential for cross-disciplinary research. The AIO ontology is open source and is available on GitHub ( https://w3id.org/aio/ ) and BioPortal ( https://bioportal.bioontology.org/ontologies/AIO ).

Joachimiak, Marcin P. [Biosystems Data Science Dep↗
DOE OSTI2026

Intelligent Experiments Through Real-time AI: Fast Data Processing and Autonomous Detector Control for sPHENIX and Future EIC Detectors (Final Report)

The overall vision of this project was to integrate real-time artificial intelligence (AI) directly into the data acquisition and detector-control systems of nuclear physics experiments, including both fast online event selection and an autonomous detector-control feedback loop. The work carried out under the award focused on the fast online event-selection half of that vision: the efficient recording of low-momentum heavy-flavor (HF) hadron decays in proton-proton collisions at the sPHENIX experiment at the Relativistic Heavy Ion Collider (RHIC)—an observable that requires fast tracking and topological trigger selection not previously demonstrated at RHIC, and that is essential for QCD studies at future facilities such as the Electron-Ion Collider (EIC). The autonomous detector-control (GPU-based feedback) component named in the project title remained a design concept and was not implemented under this award. The Massachusetts Institute of Technology (MIT) group led the offline simulation and data processing needed to train the machine-learning (ML) models, the translation of trained models to Field-Programmable Gate Array (FPGA) firmware using the hls4ml framework, and the physics validation of heavy-flavor reconstruction. Over the award period, the team developed and hardware-tested the principal components of an AI-based heavy-flavor trigger on simulated and recorded sPHENIX tracker data: a software Bipartite Graph Attention Network (BiGAT) trigger model reaching > 95% signal efficiency at 99% background rejection; an FPGA-native hit clusterizer matching the offline clustering; smaller networks synthesized to FPGA within the required sub-10 µs latency; and an assembled decoder–clusterizer–inference firmware chain exercised on the FELIX readout board. A complete, fully integrated hardware demonstrator was not finished within the award period. This report documents the project goals, the MIT group’s contributions, the technical accomplishments, and the outlook toward applications at the future EIC ePIC detector.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

A high-throughput experimentation platform for data-driven discovery in electrochemistry

Automating electrochemical analyses combined with artificial intelligence is poised to accelerate discoveries in renewable energy sciences and technologies. This study presents an automated high-throughput electrochemical characterization (AHTech) platform as a cost-effective and versatile tool for rapidly assessing liquid analytes. The Python-controlled platform combines a liquid handling robot, potentiostat, and customizable microelectrode bundles for diverse, reproducible electrochemical measurements in microtiter plates, minimizing chemical consumption and manual effort. To showcase the capability of AHTech, we screened a library of 180 small molecules as electrolyte additives for aqueous zinc metal batteries, generating data for training machine learning models to predict Coulombic efficiencies. Key molecular features governing additive performance were elucidated using Shapley Additive exPlanations and Spearman’s correlation, pinpointing high-performance candidates like cis-4-hydroxy-d-proline, which achieved an average Coulombic efficiency of 99.52% over 200 cycles. The workflow established herein is highly adaptable, offering a powerful framework for accelerating the exploration and optimization of extensive chemical spaces across diverse energy storage and conversion fields.

Lin, Dian-Zhao [Johns Hopkins University, Baltimor↗
NASA NTRS2024

Enhancing Metal Additive Manufacturing Training with the Advanced Vision Language Model: A Pathway to Immersive Augmented Reality Training for Non-Experts

This paper introduces an innovative training system for the Renishaw AM400 metal printer, leveraging the synergy of the advanced Vision Language Model (VLM) with Augmented Reality (AR) within the Digital Twins (DT) framework. Aimed at overcoming the limitations of conventional training methods in metal additive manufacturing (AM), our system integrates AR to provide an immersive learning environment, enhancing the real-world experience with interactive digital overlays. The core of the system lies in its use of VLM, which, pre-trained on diverse datasets, excels in processing multi-modal data, thereby offering nuanced and contextually relevant guidance for trainees. Key experiments demonstrate the system’s effectiveness, particularly highlighting the usage of VLM as an Artificial Intelligence (AI) agent to integrate external tools like YOLO-v7 for valve state classification and CRAFT for control panel text recognition. This approach significantly improves recognition accuracy, operational understanding, and human–machine interaction, especially for non-expert users, making complex metal AM operations more accessible. The research not only showcases the potential of AR and VLM in industrial training but also sets a new standard for smart manufacturing practices, indicating broader applications in various industrial domains.

Metal additive manufacturing↗
NASA NTRS2022

Multisensor Machine Learning to Retrieve High Spatiotemporal Resolution Land Surface Temperature

Climate change is making heat waves more frequent, long-lasting, and severe. While multiple satellite types provide data to monitor surface temperature, geostationary (GEO) sensors provide near-continuous, continental-scale observations which can better capture the diurnal variability of land surface temperature (LST) than intermittent observations from low-earth orbit (LEO) sensors. However, standard products from GEO satellites are available at coarsened spatial and temporal resolutions compared to the native sensor resolution. Using datasets from the NASA Earth Exchange, we leveraged co-located, co-temporal observations from LEO and GEO satellites to learn a data-driven mapping using a convolutional neural network. The resulting NASA Earth eXchange Artificial Intelligence LST (NEXAI-LST) achieved a mean absolute error of 1.73 K relative to the target LEO product and improves on both spatial and temporal resolution [2 km, 10 minute] compared to the GEO full disk standard product [10 km, hourly]. In validation against measurements from a ground-based sensor network, NEXAI-LST achieves similar or better fit than both LEO and GEO standard products, while depending none of the prior knowledge of land surface and atmospheric states required by physical-statistical models. Further, application of the model to unseen LEO and GEO satellites demonstrates robust generalization of the model across spatial region, time of day, and sensor. In support of NASA’s open-source science initiative, we make our NEXAI-LST product, model, and codes available to facilitate data exploration and further studies.

Kate Marie Duffy↗
DOE OSTI2024

Machine learning enables identification of an alternative yeast galactose utilization pathway

How genomic differences contribute to phenotypic differences is a major question in biology. The recently characterized genomes, isolation environments, and qualitative patterns of growth on 122 sources and conditions of 1,154 strains from 1,049 fungal species (nearly all known) in the yeast subphylum Saccharomycotina provide a powerful, yet complex, dataset for addressing this question. We used a random forest algorithm trained on these genomic, metabolic, and environmental data to predict growth on several carbon sources with high accuracy. Known structural genes involved in assimilation of these sources and presence/absence patterns of growth in other sources were important features contributing to prediction accuracy. By further examining growth on galactose, we found that it can be predicted with high accuracy from either genomic (92.2%) or growth data (82.6%) but not from isolation environment data (65.6%). Prediction accuracy was even higher (93.3%) when we combined genomic and growth data. After the GALactose utilization genes, the most important feature for predicting growth on galactose was growth on galactitol, raising the hypothesis that several species in two orders, Serinales and Pichiales (containing the emerging pathogen Candida auris and the genus Ogataea, respectively), have an alternative galactose utilization pathway because they lack the GAL genes. Growth and biochemical assays confirmed that several of these species utilize galactose through an alternative oxidoreductive D-galactose pathway, rather than the canonical GAL pathway. Machine learning approaches are powerful for investigating the evolution of the yeast genotype–phenotype map, and their application will uncover novel biology, even in well-studied traits.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

AIVT: Inference of turbulent thermal convection from measured 3D velocity data by physics-informed Kolmogorov-Arnold networks

We propose the artificial intelligence velocimetry-thermometry (AIVT) method to reconstruct a continuous and differentiable representation of the temperature and velocity in turbulent convection from measured three-dimensional (3D) velocity data. AIVT is based on physics-informed Kolmogorov-Arnold networks and trained by optimizing a loss function that minimizes residuals of the velocity data, boundary conditions, and governing equations. We apply AIVT to a set of simultaneously measured 3D temperature and velocity data of Rayleigh-Bénard convection, obtained by combining particle image thermometry and Lagrangian particle tracking. This enables us to directly compare machine learning results to true volumetric, simultaneous temperature and velocity measurements. We demonstrate that AIVT can reconstruct and infer continuous, instantaneous velocity and temperature fields and their gradients from sparse experimental data at a high resolution, providing an additional approach for understanding thermal turbulence.

Science & Technology - Other Topics↗
DOE OSTI2025

Molecular property prediction for very large databases with natural language processing: a case study in ionic liquid design

The prospect of using artificial intelligence (AI) to accurately screen very large databases of compounds for multiple properties has yet to be realized. Here, we explore this possibility using ionic liquids (ILs) which offer unique physicochemical properties and excellent tunability, making them highly versatile solvents for various research applications. Screening millions of potential ILs for the best perfomance for use in specific tasks with experimental methods alone however, is impractical. Further, traditional’ physics-based computational chemistry is hindered by high computational cost. To address this challenge, we leverage a natural language processing (NLP)-based molecular embedding technique with advanced machine learning (ML) models to predict seven key IL properties: viscosity, density, ionic conductivity, surface tension, melting temperature, toxicity, and water solubility. Comprehensive datasets for these properties are obtained, then NLP featurization with Mol2vec is compared with other featurization techniques such as 2D Morgan fingerprints, and 3D quantum chemistry-derived sigma profiles. NLP-based featurization exhibited the best predictive performance, achieving the highest R 2 and lowest RMSE values for all the studied IL properties. Further, we present case studies of how ILs might be screened using combined property criteria for practical cases – lignocellulosic biomass processing, CO 2 capture, and optimal electrolytes for batteries – screening a novel database of ∼10.6 million generated feasible ILs. The results introduce NLP as a powerful tool for engineering many designer solvents with desirable properties for task specific applications.

Mohan, Mood [Oak Ridge National Laboratory (ORNL),↗
DOE OSTI2024

XaaS: Acceleration as a Service to Enable Productive High-Performance Cloud Computing

High-performance computing (HPC) and the cloud have evolved independently, specializing their innovations into performance or productivity. Acceleration as a Service (XaaS) is a recipe to empower both fields with a shared execution platform that provides transparent access to computing resources, regardless of the underlying cloud or HPC service provider. Bridging HPC and cloud advancements, XaaS presents a unified architecture built on performance-portable containers. Here, our converged model concentrates on low-overhead, high-performance communication and computing, targeting resource-intensive workloads from climate simulations to machine learning. XaaS lifts the restricted allocation model of Function as a Service (FaaS), allowing users to benefit from the flexibility and efficient resource utilization of serverless computing while supporting long-running and performance-sensitive workloads from HPC.

97 MATHEMATICS AND COMPUTING↗
NASA NTRSDate not supplied

Application of Artificial Intelligence for Surface PM2.5 Estimations from Geostationary Satellite and Atmospheric Numerical Model Data

PM2.5, particulate matter (PM) with a diameter less than or equal to 2.5 μm, is emitted from anthropogenic fuel combustion and forest fires. Due to their small size, PM2.5 can penetrate into respiratory systems and cause or exacerbate serious illness. The US Environmental Protection Agency (EPA) regulates the levels of surface PM2.5 but surface monitoring has spatial and temporal limitations. The Aerosol Optical Depth (AOD) retrievals from the Geostationary Operational Environmental Satellite (GOES) missions and meteorological factors can be utilized as an alternative technique to estimate surface PM2.5 levels at a higher spatial and temporal resolution compared to surface monitors. Traditional estimation approaches rely on linear regression techniques and have limitations modeling the nonlinear relationship between the meteorological factors, AOD retrievals, and surface PM2.5. We compare different machine learning techniques and identify the best-suited model that can represent the nonlinearity between the factors affecting PM2.5 levels

Manisha Khatri↗
DOE OSTI2025

deadtrees.earth — An open-access and interactive database for centimeter-scale aerial imagery to uncover global tree mortality dynamics

Excessive tree mortality is a global concern and remains poorly understood as it is a complex phenomenon. We lack global and temporally continuous coverage on tree mortality data. Ground-based observations on tree mortality, e.g., derived from national inventories, are very sparse, and may not be standardized or spatially explicit. Earth observation data, combined with supervised machine learning, offer a promising approach to map overstory tree mortality in a consistent manner over space and time. However, global-scale machine learning requires broad training data covering a wide range of environmental settings and forest types. Low altitude observation platforms (e.g., drones or airplanes) provide a cost-effective source of training data by capturing high-resolution orthophotos of overstory tree mortality events at centimeter-scale resolution. Here, we introduce deadtrees.earth, an open-access platform hosting more than two thousand centimeter-resolution orthophotos, covering more than 1,000,000 ha, of which more than 58,000 ha are manually annotated with live/dead tree classifications. This community-sourced and rigorously curated dataset can serve as a comprehensive reference dataset to uncover tree mortality patterns from local to global scales using space-based Earth observation data and machine learning models. This will provide the basis to attribute tree mortality patterns to environmental changes or project tree mortality dynamics to the future. The open nature of deadtrees.earth, together with its curation of high-quality, spatially representative, and ecologically diverse data will continuously increase our capacity to uncover and understand tree mortality dynamics.

Citizen science↗
DOE OSTI2026

A Smart Vision-Aided RICH (Robotic Interface Control and Handling) System for VULCAN

High-flux neutron beams and high-efficiency detectors enable rapid neutron diffraction measurements at the Engineering Materials Diffractometer (VULCAN) at the Spallation Neutron Source (SNS), Oak Ridge National Laboratory (ORNL). To optimize beam time utilization, efficient sample exchange, alignment, and automated measurements are essential. Recent advances in artificial intelligence (AI) have expanded the capabilities of robotic systems. Here, we report the development of a Robotic Interactive Control and Handling (RICH) system for sample handling at VULCAN, designed to support high-throughput experiments and reduce overhead time. The RICH system employs a six-axis desktop robot integrated with AI-based computer vision models capable of recognizing and localizing samples in real time from instrument and depth-resolving cameras. Vision algorithms combine these detections to align samples with designated measurement positions or place them within complex sample environments such as furnaces. This integration of machine learning-assisted vision with robotic handling demonstrates the feasibility of autonomous sample detection and preparation, offering a pathway toward fully unmanned neutron scattering experiments.

automation↗