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All sources NASA NTRS DOE OSTI

DOE OSTI2022

High performance FPGA embedded system for machine learning based tracking and trigger in sPhenix and EIC

We present a comprehensive end-to-end pipeline to classify triggers versus background events in this paper. This pipeline makes online decisions to select signal data and enables the intelligent trigger system for efficient data collection in the Data Acquisition System (DAQ) of the upcoming sPHENIX and future EIC (Electron-Ion Collider) experiments. Starting from the coordinates of pixel hits that are lightened by passing particles in the detector, the pipeline applies three-stage of event processing (hits clustering, track reconstruction, and trigger detection) and labels all processed events with the binary tag of trigger versus background events. The pipeline consists of deterministic algorithms such as clustering pixels to reduce event size, tracking reconstruction to predict candidate edges, and advanced graph neural network-based models for recognizing the entire jet pattern. In particular, we apply the message-passing graph neural network to predict links between hits and reconstruct tracks and a hierarchical pooling algorithm (DiffPool) to make the graph-level trigger detection. We obtain an impressive performance (≥70% accuracy) for trigger detection with only 3200 neuron weights in the end-to-end pipeline. We deploy the end-to-end pipeline into a field-programmable gate array (FPGA) and accelerate the three stages with speedup factors of 1152, 280, and 21, respectively.

Instruments & Instrumentation↗

DOE OSTI2025

WizEM

The software provides a flexible pipeline for artificial intelligence (AI) assisted analysis of data collected from an electron microscope. This tool distinctly provides near real-time image quantification results during data collection, incorporating feedback from a user to tune performance.

Akers, Sarah [Pacific Northwest National Laborator↗

DOE OSTI2025

Chatbots can guide experimentalists to avoid many common mistakes in measuring fluorescence spectra

The concepts of fluorescence spectroscopy are well established, yet the experimental collection of a spectrum is susceptible to a range of errors. A recent study showed that chatbots – derived from substantial advances in artificial intelligence – can provide practical assistance to the experimentalist during collection of absorption spectra and thereby achieve improved quality. Fluorescence, while the complement of absorption, is prone to a far richer array of experimental errors encompassing environmental factors, instrumental settings, and experimentalist mistakes. Here, 10 chatbots (ChatGPT 5, Gemini 2.5 Pro, Microsoft Copilot, Meta AI Llama 4, Claude Sonnet 4.5, X.ai Grok 4, Perplexity Pro, DeepSeek V3.1, Z.ai GLM-4.6, and KIMI K2) have been evaluated for the suitability in providing quality-improvement advice to the experimentalist during acquisition of fluorescence spectra. Significant opportunities for practical assistance are noted, although intervention by a domain expert is often required. Here, if combined with image recognition and/or signal processing, chatbots embedded in instruments may enable real-time guidance during fluorescence data acquisition.

Artificial intelligence↗

DOE OSTI2022

MZA: A Data Conversion Tool to Facilitate Software Development and Artificial Intelligence Research in Multidimensional Mass Spectrometry

Modern mass spectrometry-based workflows employing hybrid instrumentation and orthogonal separations collect multidimensional data, potentially allowing deeper understanding in omics studies through adoption of artificial intelligence methods. However, the large volume of these rich data challenges existing data storage and access technologies, therefore precluding informatics advancements. Here we present MZA™ (pronounced m-za), the mass-to-charge (m/z) generic data storage and access tool designed to facilitate software development and artificial intelligence research in multidimensional mass spectrometry measurements. Composed by a data conversion tool and a simple file structure based on the HDF5 format, MZA provides easy, cross-platform and efficient programmatic access to raw MS-data, enabling fast development of new tools in data science programming languages such as Python and R. The software executable and example Python and R scripts are freely available at https://github.com/PNNL-m-q/mza.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Artificial intelligence in computational materials science

In this themed collection we aim to broadly review some of the critical, recent progress in the application of AI/ML to various aspects of computational materials science and materials science more broadly. In this collection spread across two issues, we have assembled a collection of articles from leaders in the broad domain of applying AI/ML, which we collectively refer to as ML, in computational materials science. Together these articles curate the critical, recent progress in the application of ML to various aspects of materials science. Furthermore, these include ML approaches for understanding and driving electron microscopy, designing energy materials and the discovery of principles and materials relevant to the design of materials for the future, studying crystal nucleation and growth, the use of ML to describe force fields governing material and molecular behavior, and other topics.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Artificial Intelligence Techniques in Smart Grid: A Survey

The smart grid is enabling the collection of massive amounts of high-dimensional and multi-type data about the electric power grid operations, by integrating advanced metering infrastructure, control technologies, and communication technologies. However, the traditional modeling, optimization, and control technologies have many limitations in processing the data; thus, the applications of artificial intelligence (AI) techniques in the smart grid are becoming more apparent. This survey presents a structured review of the existing research into some common AI techniques applied to load forecasting, power grid stability assessment, faults detection, and security problems in the smart grid and power systems. It also provides further research challenges for applying AI technologies to realize truly smart grid systems. Finally, this survey presents opportunities of applying AI to smart grid problems. The paper concludes that the applications of AI techniques can enhance and improve the reliability and resilience of smart grid systems.

energy systems↗

DOE OSTI2024

Timeseries Unlabeled and Labeled Photos, Modeled Stream Elevation, and (Meta)Data of Variably Inundated Streams Across The Yakima River Basin, Washington, United States (v2)

This dataset is associated with the “River Monitoring Photos” (RMP) study and subsequent manuscript (Bao et al. 2025. Monitoring river flow status using low-cost wildlife camera and image segmentation artificial intelligence doi: 10.1016/j.envsoft.2025.106715). Game camera timeseries photos were collected to evaluate stream variable inundation via changes in width. A subset of photos was labeled for training the YOLOv8 and Mask2Former models and used to segment water surface fractions from all the game camera photos.This data package was originally published in March 2024. It was updated in October 2025 (v2) to add additional photos and files associated with the manuscript (i.e., processed data, labeled photos, and trained models). For details on how to navigate data packages generated by this project, see https://data.ess-dive.lbl.gov/portals/PNNLRiverCorridorSFA/About.In addition to a readme, this data package also includes two file-level metadata (FLMD) files that describes each file and two data dictionaries (DD) that describe all column/row headers and variable definitions. This dataset is comprised of (1) file-level metadata; (2) data dictionary; (3) readme; (4) field metadata; and (5) folders containing game camera photos and manuscript-associated files. Each Yakima River Basin site has a folder that contains subfolders for each month photos were collected. There is also a folder for files associated with the manuscript which has subfolders for labeled data, trained models, Yakima River Basin site water surface fractions, and USGS site water surface fractions. All files are .csv, .json, .txt, .yaml, .pth, .pt, or .pdf. We thank the Confederated Tribes and Bands of the Yakama Nation Tribal Council and Yakama Nation Fisheries for working with us to facilitate sample collection and optimization of data usage according to their values and worldview.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Machine learning in nuclear materials research

Nuclear materials are often demanded to function for extended time in extreme environments, including high radiation fluxes with associated transmutations, high temperature and temperature gradients, mechanical stresses, and corrosive coolants. They also have a wide range of microstructural and chemical makeups, resulting in multifaceted and often out-of-equilibrium interactions. Machine learning (ML) is increasingly being used to tackle these complex time-dependent interactions and aid researchers in developing models and making predictions, sometimes with better accuracy than traditional modeling that focuses on one or two parameters at a time. Conventional practices of acquiring new experimental data in nuclear materials research are often slow and expensive, limiting the opportunity for data-centric ML, but new methods are changing that paradigm. Here we review high-throughput computational and experimental data approaches, especially robotic experimentation and active learning that is based on Gaussian process and Bayesian optimization. We show ML examples in structural materials (e.g., reactor pressure vessel (RPV) alloys and radiation detecting scintillating materials) and highlight new techniques of high-throughput sample preparation and characterizations, and automated radiation/environmental exposures and real-time online diagnostics. Herein, this review suggests that ML models of material constitutive relations in plasticity, damage, and even electronic and optical responses to radiation are likely to become powerful tools as they develop. Finally, we speculate on how the recent trends of using natural language processing (NLP) to aid the collection and analysis of literature data, interpretable artificial intelligence (AI), and the use of streamlined scripting, database, workflow management, and cloud computing platforms that will soon make the utilization of ML techniques as commonplace as the spreadsheet curve-fitting practices of today.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Uncertainty quantification for Bayesian active learning in rupture life prediction of ferritic steels

Abstract Three probabilistic methodologies are developed for predicting the long-term creep rupture life of 9–12 wt%Cr ferritic-martensitic steels using their chemical and processing parameters. The framework developed in this research strives to simultaneously make efficient inference along with associated risk, i.e., the uncertainty of estimation. The study highlights the limitations of applying probabilistic machine learning to model creep life and provides suggestions as to how this might be alleviated to make an efficient and accurate model with the evaluation of epistemic uncertainty of each prediction. Based on extensive experimentation, Gaussian Process Regression yielded more accurate inference ( $$Pearson\;correlation\;coefficent> 0.95$$ P e a r s o n c o r r e l a t i o n c o e f f i c e n t > 0.95 for the holdout test set) in addition to meaningful uncertainty estimate (i.e., coverage ranges from 94 to 98% for the test set) as compared to quantile regression and natural gradient boosting algorithm. Furthermore, the possibility of an active learning framework to iteratively explore the material space intelligently was demonstrated by simulating the experimental data collection process. This framework can be subsequently deployed to improve model performance or to explore new alloy domains with minimal experimental effort.

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2024

Accelerating the design of lattice structures using machine learning

Lattices remain an attractive class of structures due to their design versatility; however, rapidly designing lattice structures with tailored or optimal mechanical properties remains a significant challenge. With each added design variable, the design space quickly becomes intractable. To address this challenge, research efforts have sought to combine computational approaches with machine learning (ML)-based approaches to reduce the computational cost of the design process and accelerate mechanical design. While these efforts have made substantial progress, significant challenges remain in (1) building and interpreting the ML-based surrogate models and (2) iteratively and efficiently curating training datasets for optimization tasks. Here, we address the first challenge by combining ML-based surrogate modeling and Shapley additive explanation (SHAP) analysis to interpret the impact of each design variable. We find that our ML-based surrogate models achieve excellent prediction capabilities (R 2 > 0.95) and SHAP values aid in uncovering design variables influencing performance. We address the second challenge by utilizing active learning-based methods, such as Bayesian optimization, to explore the design space and report a 5 × reduction in simulations relative to grid-based search. Collectively, these results underscore the value of building intelligent design systems that leverage ML-based methods for uncovering key design variables and accelerating design.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Smart connected worker edge platform for smart manufacturing: Part 1—Architecture and platform design

Abstract The challenge of sustainably producing goods and services for healthy living on a healthy planet requires simultaneous consideration of economic, societal, and environmental dimensions in manufacturing. Enabling technology for data driven manufacturing paradigms like Smart Manufacturing (a.k.a. Industry 4.0) serve as the technological backbone from which sustainable approaches to manufacturing can be implemented. Unfortunately, these technologies are typically associated with broader and deeper factory automation that is often too expensive and complex for the small and medium sized manufacturers (SMMs) that comprise the majority of manufacturing business in the USA and for whom their most valuable asset are the people whose jobs automation while replace. This paper describes an edge intelligent platform to integrate internet‐of‐things technologies with computing hardware, software, computational workflows for machine learning, and data ingestion, enabling SMMs to transition into smart manufacturing paradigms by leveraging the intelligence of their people. The platform leverages consumer grade electronics and sensors (affordable and portable), customized software with open source software packages (accessible), and existing communication network infrastructures (scalable). The software systems are implemented via Kubernetes orchestration of Docker containerization to ensure scalability and programmability. The platform is adaptive via computational workflow engines that produce information from data by processing with low‐cost edge computing devices while efficiently accessing resources of cloud servers as needed. The proposed edge platform connects workers to technological resources that provide computational intelligence (i.e., silicon‐based sensing and computation for data collection and contextualization) to enable decision making at the edge of advanced manufacturing.

Kim, Yoon G.↗

DOE OSTI2022

Strym: A Python Package for Real-time CAN Data Logging, Analysis and Visualization to Work with USB-CAN Interface

In this report, we describe a data analysis tool developed for decoding and analyzing vehicle data obtained from a passenger vehicle’s onboard controller area network (CAN) bus. The tool developed in this paper provides a timeseries framework to perform domain-specific analysis at scale when interpreting data from a vehicle or a collection of vehicles in light of how to design intelligent vehicle applications. The tool, called Strym, exploits the CAN bus mechanism of modern vehicles to capture data using commercially available CAN-to-USB hardware Comma.ai Panda devices, managed through open-source software Libpanda. Strym permits the decoding of vendor-specific CAN messages in a vehicle-agnostic manner. Through this, a researcher can characterize data throughput, assess data quality, and perform analyses. Such analyses are useful in a number of research such as studying human driving behavior in mixed-autonomy, new driver models, rare-event detection, traffic flow estimation, and custom control of vehicles.

Performance evaluation, Smart cities, Intelligent ↗

DOE OSTI2020

An Authentication Vulnerability Assessment of Connected Lighting Systems

Emerging connected lighting systems (CLS) that incorporate distributed intelligence, network interfaces, and sensors can become data-collection platforms that enable a wide range of valuable new capabilities as well as greater energy savings in buildings and cities. However, CLS technology is currently at an early stage of development, and its increased connectivity introduces cybersecurity risks that are new to the lighting industry and that must be addressed for successful integration with other systems. While a number of existing frameworks, guidelines, and tests for evaluating cybersecurity vulnerability may apply to CLS in whole or in part, there is currently no mandatory requirement for cybersecurity testing or certification. The lighting industry, including technology developers and specification organizations, is currently evaluating the suitability of existing frameworks and guidelines for CLS. To support these efforts, Pacific Northwest National Laboratory (PNNL) is conducting a series of studies intended to educate lighting industry stakeholders on specific cybersecurity practices and characterize their implementation in commercially available CLS with varying system architectures, network-communication technologies, and degrees of maturity. This study demonstrates that tests for authentication vulnerabilities can be developed with objective pass/fail criteria, therby facilitating comparisons between CLS. Based on the limited results of this study, it appears that the CLS that are being brought to market have varying levels of authentication vulnerability. It is hoped that these evaluations will support and perhaps accelerate industry discussions on the risks of specific security vulnerabilities, what vulnerabilities should be addressed by in-development of future lighting-specific best practices, and whether any such practices should be included in voluntary lighting standards.

42 ENGINEERING↗

DOE OSTI2021

Development and Evaluation of Velocity Predictive Optimal Energy Management Strategies in Intelligent and Connected Hybrid Electric Vehicles

In this study, a thorough and definitive evaluation of Predictive Optimal Energy Management Strategy (POEMS) applications in connected vehicles using 10 to 20 s predicted velocity is conducted for a Hybrid Electric Vehicle (HEV). The presented methodology includes synchronous datasets gathered in Fort Collins, Colorado using a test vehicle equipped with sensors to measure ego vehicle position and motion and that of surrounding objects as well as receive Infrastructure to Vehicle (I2V) information. These datasets are utilized to compare the effect of different signal categories on prediction fidelity for different prediction horizons within a POEMS framework. Multiple artificial intelligence (AI) and machine learning (ML) algorithms use the collected data to output future vehicle velocity prediction models. The effects of different combinations of signals and different models on prediction fidelity in various prediction windows are explored. All of these combinations are ultimately addressed where the rubber meets the road: fuel economy (FE) enabled from POEMS. FE optimization is performed using Model Predictive Control (MPC) with a Dynamic Programming (DP) optimizer. FE improvements from MPC control at various prediction time horizons are compared to that of full-cycle DP. All FE results are determined using high-fidelity simulations of an Autonomie 2010 Toyota Prius model. The full-cycle DP POEMS provides the theoretical upper limit on fuel economy (FE) improvement achievable with POEMS but is not currently practical for real-world implementation. Perfect prediction MPC (PP-MPC) represents the upper limit of FE improvement practically achievable with POEMS. Real-Prediction MPC (RP-MPC) can provide nearly equivalent FE improvement when used with high-fidelity predictions. Constant-Velocity MPC (CV-MPC) uses a constant speed prediction and serves as a “null” POEMS. Results showed that RP-MPC, enabled by high-fidelity ego future speed prediction, led to significant FE improvement over baseline nearly matching that of PP-MPC.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2023

From Count Rates to Quantifying Isotopic Activities – Field Analysis of Radiation Monitoring Data

The Nevada National Security Site (NNSS) provides a comprehensive bicoastal radiological and nuclear emergency response to United States Department of Energy/National Nuclear Security Administration. A major part of the support is to provide systematic radiological search for lost or stolen sources, Radiological search is a core competency of the NNSS with its origin dating back to nuclear weapons test era. Search operations from multiple platforms is the common thread among the various NNSS assets, which include Aerial Measuring System (AMS), Maritime Support Team (MST), National Capitol Response (NCR), National Search Team (NST) and Radiological Assistance Program (RAP). Information collected and analyzed during search operations add to the actionable intelligence for the law enforcement agencies and provide valuable guidance for the tactical resolution of a nuclear or radiological crisis. Search is an intelligence and situational awareness driven operation and most often called upon during a radiological emergency, however it can be brought into play to thwart a potential threat by providing monitoring and surveillance support. The Office of Nuclear Incident Response (NA-84) serves as the technical leader in responding to and resolving nuclear and radiological threats worldwide and integrates its efforts with other NNSA stakeholders (e.g., NNSA office of Defense Nuclear Non-proliferation NA-22). The response includes expertise in the areas of radiological search, render safe, and consequence management. This article will discuss the methodologies, tools, procedures, and techniques to extract maximum radiological characterization information (isotopic composition, activities for individual isotopes, threat assessment etc.) from field monitoring or Search operation data.

61 RADIATION PROTECTION AND DOSIMETRY↗

DOE OSTI2021

Neighborhood Keeper

Neighborhood Keeper is a collective defense and community-wide visibility solution that provides a more effective industrial cyber defense by sharing threat intelligence at machine-speed across industries and geographic regions.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2021

Diagnostic and predictive capabilities of the TCR digital platform

The Transformational Challenge Reactor program is leveraging additive manufacturing technologies to fabricate the nuclear components required to assemble a microreactor core. Compared with traditional manufacturing processes, additive manufacturing allows for direct observation of the interior of the component during manufacturing. This unique capability promises significant possibilities for creating a new paradigm for nuclear component qualification by leveraging in-situ process data. This report describes FY21 efforts to predict material tensile properties based on data collected during the laser powder bed fusion printing process. The primary focus of this report is the test campaign designed to generate the large quantities of training data required to implement artificial intelligence algorithms that can predict these material properties. Preliminary prediction results and a demonstration of the overall data collection, analysis, and visualization pipeline are also provided.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2024

Roadmap on data-centric materials science

Science is and always has been based on data, but the terms ‘data-centric’ and the ‘4th paradigm’ of materials research indicate a radical change in how information is retrieved, handled and research is performed. It signifies a transformative shift towards managing vast data collections, digital repositories, and innovative data analytics methods. The integration of artificial intelligence and its subset machine learning, has become pivotal in addressing all these challenges. This Roadmap on Data-Centric Materials Science explores fundamental concepts and methodologies, illustrating diverse applications in electronic-structure theory, soft matter theory, microstructure research, and experimental techniques like photoemission, atom probe tomography, and electron microscopy. While the roadmap delves into specific areas within the broad interdisciplinary field of materials science, the provided examples elucidate key concepts applicable to a wider range of topics. The discussed instances offer insights into addressing the multifaceted challenges encountered in contemporary materials research.

36 MATERIALS SCIENCE↗