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DOE OSTI2024

Deep learning based x-ray spectrometer for high repetition rate characterization of betatron radiation

Betatron radiation produced from a laser-wakefield accelerator is a broadband, hard x-ray (>1 keV) source that has been used in a variety of applications in medicine, engineering, and fundamental science. Further development and optimization of stable, high repetition rate (HRR) (>1 Hz) betatron sources will provide a means to extend their application base to include single-shot dynamical measurements of ultrafast processes or dense materials. Recent advances in laser technology used in such experiments have enabled increases in shot-rate and system stability, providing improved statistical analysis and detailed parameter scans. However, unique challenges exist at high repetition rate, where data throughput and source optimization are now limited by diagnostic acquisition rates and analysis. Here, we present the development of a machine-learning algorithm for the real-time analysis of betatron radiation. We report on the fielding of this deep learning algorithm for online source characterization at the Institut National de la Recherche Scientifique's Advanced Laser Light Source. By fine-tuning an algorithm originally trained on a fully synthetic dataset using a subset of experimental data, the algorithm can predict the betatron critical energy with a percent error of 7.2 % with a reconstruction time of 1.5 ms, providing a valuable tool for real-time, multi-objective optimization at HRR.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

SOMA: Observability, monitoring, and in situ analytics for exascale applications

With the rise of exascale systems and large, data-centric workflows, the need to observe and analyze high performance computing (HPC) applications during their execution is becoming increasingly important. HPC applications are typically not designed with online monitoring in mind, therefore, the observability challenge lies in being able to access and analyze interesting events with low overhead while seamlessly integrating such capabilities into existing and new applications. We explore how our service-based observation, monitoring, and analytics (SOMA) approach to collecting and aggregating both application-specific diagnostic data and performance data addresses these needs. Furthermore, we present our SOMA framework and demonstrate its viability with LULESH, a hydrodynamics proxy application. Then we focus on Astaroth, a multi-GPU library for stencil computations, highlighting the integration of the TAU and APEX performance tools and SOMA for application and performance data monitoring.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Digital twin framework for PIP-II linac: AI-driven multi-scale modeling from ion source to 800 MeV

The PIP-II superconducting linac at Fermilab is designed to deliver multi-megawatt proton beams for neutrino physics and other high-intensity applications. To expedite commissioning and enhance operational reliability, we have developed an EPICS-based data flow framework that seamlessly integrates digital twins (DT) with physical twins (PT). These digital twins comprise high-fidelity beam dynamics models or data-driven surrogate models connected to their physical counterparts through real-time diagnostics and advanced machine-learning algorithms.Central to this framework is Linac_Gen, an accelerated simulation tool that incorporates convolutional neural networks, random forests, and genetic algorithms to provide up to a tenfold speedup in optimizing the accelerator geometry model. An EPICS translator layer ensures interoperability by efficiently mapping lattice parameters across diverse simulation platforms.Our EPICS-based framework supports multiple operational modes—monitoring, passive learning, closed-loop control, and online learning—covering the entire machine lifecycle. By leveraging HPC resources and multi-objective optimization techniques, the digital twin enables adaptive trajectory correction, real-time fault detection, and predictive modeling of beam stability. This comprehensive approach paves the way for robust, high-intensity operation and data-driven accelerator R&D at Fermilab.

Pathak, Abhishek [Fermilab]↗

DOE OSTI2021

Intelliquench: An Adaptive Machine Learning System for Detection of Superconducting Magnet Quenches

In superconducting magnets, the irreversible transition of a portion of the conductor to resistive state is called a “quench.” Having large stored energy, magnets can be damaged by quenches due to localized heating, high voltage, or large force transients. Unfortunately, current quench protection systems can only detect a quench after it happens, and mitigating risks in Low Temperature Superconducting (LTS) accelerator magnets often requires fast response (down to ms). Additionally, protection of High Temperature Superconducting (HTS) magnets is still suffering from prohibitively slow quench detection. In this study, we lay the groundwork for a quench prediction system using an auto-encoder fully-connected deep neural network. After dynamically trained with data features extracted from acoustic sensors around the magnet, the system detects anomalous events seconds before the quench in most of our data. While the exact nature of the events is under investigation, we show that the system can “forecast” a quench before it happens under magnet training conditions through a randomized experiment. This opens up the way of integrated data processing, potentially leading to faster and better diagnostics and detection of magnet quenches

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2023

Online Monitoring of Medium Voltage Cable Systems with Spread Spectrum Time Domain and Frequency Domain Reflectometry

In-service failures of wave energy convertor (WEC) cable systems can have a significant cost and power availability impact. Close parallel research 2019 data showed > 1B£ and 9 Terra-Watt-Hours associated with global off-shore wind (OSW) cable failures (Strang-Moran 2020). OSW is a closely related technology but currently is significantly cheaper than WEC technology. For wave energy to compete, the problem of reliable cable transmission must be mitigated. This project develops isolation technology to allow online high frequency reflectometry testing of medium voltage cables (1 to 10 kV and higher) without arcing or damage to the test instrument. Online spread spectrum time domain reflectometry (SSTDR) testing has been established for low voltage cable systems in the aircraft and rail industry and the ability to detect and locate cable flaws of interest is well understood. Extending reflectometry testing to medium voltage systems could enable detection of cable damage before failures occur thereby allowing repair and replacement of damaged cable segments to be scheduled and managed. The seedling project succeeded to pass and receive high frequency SSTDR signals onto a cable up to 1 kV using a parallel trace isolation circuit board that can be connected onto the test cable. The approach used a novel circuit design for which an invention disclosure has been filed. A proposed sapling project would extend the technology toward the higher operating voltages used by WEC systems, thereby enabling online SSTDR cable monitoring. The goal of the seedling project was to extend the capability of the ARENA cable/motor test bed to address medium voltages and to develop a high pass filter isolation architecture to protect the reflectometry instrument from the low frequency (DC – 60 Hz) line voltage while allowing the high frequency diagnostic signal to pass to and from the test instrument to the live line. Initial efforts focused on passive LCR filter circuits to reduce 60 Hz levels below 10 volts from a 10 kV line while allowing the MHz high frequency chirps to pass onto the cables and for mV signals to be detected. We discovered that the parasitic loss behavior of real high voltage components precluded this approach from working. An alternate approach was adapted for the electric field to couple between two parallel traces on a printed circuit board much like a radio-frequency coupler. The challenge here was and is to have the parallel traces close enough to each other to effectively pass the high frequency chirp onto the live line and receive any reflected signal from any encountered impedance change along the cable. This reflected signal will be in the mV range. The traces however must be far enough apart to not allow arcing on the board. A design with 3 mm spacing was determined to allow the high frequency signal to pass onto the live line and receive the mV signal back into the instrument while reducing the 60 Hz voltage amplitude by >80 dB (more than a factor of 10,000) without allowing arcing from across the parallel traces. This was confirmed by simulation and test.

16 TIDAL AND WAVE POWER↗

DOE OSTI2025

Online Bayesian State Estimation for Real-Time Monitoring of Growth Kinetics in Thin Film Synthesis

Rapid validation of newly predicted materials through autonomous synthesis requires real-time adaptive control methods that exploit physics knowledge, a capability that is lacking in most systems. Here, in this study, we demonstrate an approach to enable real-time control of thin film synthesis by combining in situ optical diagnostics with a Bayesian state estimation method. We developed a physical model for film growth and applied the direct filter (DF) method for real-time estimation of nucleation and growth rates during pulsed laser deposition (PLD). We validated the approach using simulated and experimental reflectivity data for WSe 2 growth and ultimately deployed the algorithm on an autonomous PLD system during the growth of 1T'-MoTe 2 . The DF robustly estimates growth parameters in real time at early stages of growth, down to 15% monolayer area coverage. This fusion of in situ diagnostics, data assimilation, and physical modeling opens new opportunities in adaptive control of synthesis trajectories toward desired material states.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Analytics-at-scale of Sensor Data for Digital Monitoring in Nuclear Plants: 2nd Annual Report

For economic reasons, the nuclear industry is witnessing premature closure of nuclear power plants, despite excellent safety records. Operations and Maintenance (O&M) activities are some of the largest costs in operating legacy light-water plants. By reducing O&M costs, nuclear energy can become more economically competitive with other energy sources. This can be achieved by leveraging machine-learning and artificial intelligence technologies to develop data-driven algorithms to better diagnose potential faults within the system. Improved accuracy of the models can lead to a reduction in unnecessary maintenance, thus reducing costs associated with parts, labor, and unnecessary planned, forced, or extended outages. To address these challenges, the goal of this project is to perform research and development in the area of digital monitoring, i.e., the application of advanced sensor technologies (particularly wireless sensor technologies) and data science based analytic capabilities, to advance online monitoring and predictive maintenance in nuclear plants and improve plant performance (efficiency gain and economic competitiveness). This report summarizes the fiscal year 2020 research progress encompassing (1) different wireless vibration sensor and data indicators used to assess the health of a plant asset; (2) development of diagnostic models for fault detection; and (3) development of prognostic models for estimating the health of the system up to 7 days ahead.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2021

MACHINE LEARNING BASED CHEMICAL EXPLOSIVE MODE ANALYSIS (ML-CEMA)

The software consists of a Machine Learning based Chemical Explosive Mode Analysis (ML-CEMA) tool for advanced computational flame diagnostics. CEMA, originally based on eigen-analysis of the local thermochemical system, is capable of identifying reaction fronts and limit phenomena such as auto-ignition and extinction in practical combustion systems, such as internal combustion engines and gas turbine combustors. However, the original CEMA is computationally expensive for large reaction mechanisms that are typically needed to describe fuel chemistry of practical large-hydrocarbon fuels. This novel ML-CEMA tool employs a ML technique to accelerate the eigen-analysis of the basic CEMA approach by orders of magnitude, thus making it suitable for practical fuels. In ML-CEMA,zero-dimensional (0D) reactors and one-dimensional (1D) premixed flames are first used to generate a large number of data points for neural network based ML training. The trained ML model is then used to perform CEMA prediction. This ML-CEMA tool has been demonstrated in canonical 0D and 1D configurations as well as highly-transient three-dimensional spray flames exhibiting multi-mode turbulent combustion, showing promising results. ML-CEMA, as a standalone tool, can be used for computationally-efficient diagnostics of massive datasets generated from both experiments and simulations. For example, based on spatially resolved measurements of a small set of reactive scalars(such as temperature, hydroxyl radical and formaldehyde), ML-CEMA can effectively identify flame fronts and rare events. ML-CEMA also provides a robust online or offline flame feature detection tool. When used for on-the-fly simulations, ML-CEMA further enables zone-adaptive combustion modeling, in which the predicted eigenvalue is used as a robust mode indicator for judicious assignment of locally-valid combustion models. This ML-CEMA based zone-adaptive model can lead to substantial computational cost savings when used for large-scale simulations of multi-mode combustion systems. Third Party Code Web Page to Download Code Web Page Location of Third Party License

Xu, Chao↗

DOE OSTI2020

Wattile: Probabilistic Deep Learning-based Forecasting of Building Energy Consumption [SWR-20-94]

Accurate energy forecasting is becoming critical due to many reasons: i ) optimal distributed energy resources operations and dispatch, ii) fault detection and diagnostics, and iii) meeting operational energy efficiency targets. Wattile uses deep learning (DL) for the building's short-term load forecasting application. Two specific types of neural networks called, Long Short Term Memory (LSTM) and Sequence-to-Sequence (S2S) models are used to make predictions. Forecasting models are trained using online historical weather and occupancy indicator data streams from the Intelligent Campus Program's data acquisition systems at the National Renewable Energy Laboratory (NREL) for main meters and sub-meters of multiple building types. These models use probabilistic methods to provide quantile-based forecasts in addition to nominal conditional median predictions of electricity consumption.

Frank, Stephen↗

DOE OSTI2025

Mondo: integrating disease terminology across communities

Precision medicine aims to enhance diagnosis, treatment, and prognosis by integrating multimodal data at the point of care. However, challenges arise due to the vast number of diseases, differing methods of classification, and conflicting terminological coding systems and practices used to represent molecular definitions of disease. This lack of interoperability artificially constrains the potential for diagnosis, clinical decision support, care outcome analysis, as well as data linkage across research domains to support the development or repurposing of therapeutics. There is a clear and pressing need for a unified system for managing disease entities⁠—including identifiers, synonyms, and definitions. To address these issues, we created the Mondo disease ontology—a community-driven, open-source, unified disease classification system that harmonizes diverse terminologies into a consistent, computable framework. Mondo integrates key medical and biomedical terminologies, including Online Mendelian Inheritance in Man (OMIM), Orphanet, Medical Subject Headings (MeSH), National Cancer Institute Thesaurus (NCIt), and more, to provide a comprehensive and accurate representation of disease concepts with fully provenanced and attributed links back to the sources. Mondo can be used as the handle for curation of gene–disease associations utilized in diagnostic applications, research applications such as computational phenotyping, and in clinical coding systems in clinical decision support by pointing the clinician to the numerous knowledge resources linked to the Mondo identifier. Mondo's community-centric approach, stewarded by the Monarch Initiative's expertise in ontologies, ensures that the ontology remains adaptable to the evolving needs of biomedical research and clinical communities, as well as the knowledge providers.

biomedical informatics↗

DOE OSTI2022

The concentration of BTEX in selected urban areas of Malaysia during the COVID-19 pandemic lockdown

Volatile organic compounds (VOCs) such as benzene, toluene, ethylbenzene and xylene (BTEX) are air pollutants that harm human health. This study aims to identify BTEX concentrations before the lockdown known as the Movement Control Order was imposed (BMCO), during the implementation of the Movement Control Order (MCO), and then during the Conditional Movement Control Order (CMCO). These orders were introduced during the COVID-19 pandemic in Malaysia. The study utilised data measured by the continuous monitoring of BTEX using online gas chromatography instruments located at three urban area stations. Here, the results showed that the BTEX concentrations reduced by between –38% and –46% during the MCO compared to the BMCO period. The reduction of human mobility during the MCO and CMCO influenced the lower BTEX concentrations recorded at a station within the Kuala Lumpur area. The results of the BTEX diagnostic ratios and principal component analysis showed that the major source of BTEX, especially during the BMCO and CMCO periods, was motor vehicle emissions. Further investigation, using correlation analysis and polar plots, showed that the BTEX concentrations were also influenced by meteorological variables such as wind speed, air temperature and relative humidity.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Neural net modeling of equilibria in NSTX-U

Neural networks (NNs) offer a path towards synthesizing and interpreting data on faster timescales than traditional physics-informed computational models. In this work we develop two NNs relevant to equilibrium and shape control modeling, which are part of a suite of tools being developed for the National Spherical Torus Experiment-Upgrade for fast prediction, optimization, and visualization of plasma scenarios. The networks include Eqnet, a free-boundary equilibrium solver trained on the EFIT01 (Equilibrium FITtting 01) reconstruction algorithm, and Pertnet, which is trained on the Gspert code and predicts the non-rigid plasma response, a nonlinear term that arises in shape control modeling. The NNs are trained with different combinations of inputs and outputs in order to offer flexibility in use cases. In particular, Eqnet can use magnetic diagnostics as inputs and act as an EFIT-like reconstruction algorithm, or, by using pressure and current profile information the NN can act as a forward Grad–Shafranov equilibrium solver. This forward-mode version is envisioned to be implemented in the suite of tools for simulation of plasma scenarios. The reconstruction-mode version gives some performance improvements compared to the online reconstruction code real-time EFIT, especially when vessel eddy currents are significant. Here, we report strong performance for all NNs indicating that the models could reliably be used within closed-loop simulations or other applications. Some limitations are discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

Persistent minimal sequences of SARS-CoV-2

Abstract Motivation Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has caused more than 14 million cases and more than half million deaths. Given the absence of implemented therapies, new analysis, diagnosis and therapeutics are of great importance. Results Analysis of SARS-CoV-2 genomes from the current outbreak reveals the presence of short persistent DNA/RNA sequences that are absent from the human genome and transcriptome (PmRAWs). For the PmRAWs with length 12, only four exist at the same location in all SARS-CoV-2. At the gene level, we found one PmRAW of size 13 at the Spike glycoprotein coding sequence. This protein is fundamental for binding in human ACE2 and further use as an entry receptor to invade target cells. Applying protein structural prediction, we localized this PmRAW at the surface of the Spike protein, providing a potential targeted vector for diagnostics and therapeutics. In addition, we show a new pattern of relative absent words (RAWs), characterized by the progressive increase of GC content (Guanine and Cytosine) according to the decrease of RAWs length, contrarily to the virus and host genome distributions. New analysis shows the same property during the Ebola virus outbreak. At a computational level, we improved the alignment-free method to identify pathogen-specific signatures in balance with GC measures and removed previous size limitations. Availability and implementation https://github.com/cobilab/eagle. Supplementary information Supplementary data are available at Bioinformatics online.

Pratas, Diogo↗

DOE OSTI2022

Applying Infrared Thermography as a Method for Online Monitoring of Turbine Blade Coolant Flow

As gas turbine engine manufacturers strive to implement condition-based operation and maintenance, there is a need for blade monitoring strategies capable of early fault detection and root-cause determination. Given the importance of blade cooling flows to turbine blade health and longevity, there is a distinct lack of methodologies for coolant flowrate monitoring. The present study addresses this identified opportunity by applying an infrared thermography system on an engine-representative research turbine to generate data-driven models for prediction of blade coolant flowrate. Thermal images were used as inputs to a linear regression and regularization algorithm to relate blade surface temperature distribution with blade coolant flowrate. Additionally, this study investigates how coolant flowrate prediction accuracy is influenced by the number and breadth of diagnostic measurements. Here, the results of this study indicate that a source of high-fidelity training data can be used to predict blade coolant flowrate within about six percent error. Furthermore, identification of prioritized sensor placement supports application of this technique across multiple sensor technologies capable of measuring blade surface temperature in operating gas turbine engines, including spatially resolved and point-based measurement techniques.

42 ENGINEERING↗

DOE OSTI2025

Model-driven prediction for accelerator magnet diagnostics to improve operation reliability

Reliability is one of the most critical metrics for accelerator operation, especially in user facilities. To reduce costly facility downtime and provide an operational environment where system performance can be reliably predicted in support of scientific studies, we are developing a model-driven approach for prediction and anomaly detection. Here, in this study, we present the application of a model-driven method that employs a linear regression model to predict the future temperature, in real time, of accelerator magnets at the NSLS-II light source. This approach enables proactive identification of magnet-heating issues, facilitating magnet flushing prior to the occurrence of permanent damage without interrupting machine operation. The implementation of this method in the NSLS-II control room is described and the analysis of the online results is presented. The results demonstrate the model’s effectiveness in providing early alerts to engineers and improving the reliability of accelerator operations.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Remote quantification of Cm(III) and HNO 3 by fluorescence spectroscopy and chemometrics

A unique approach to remotely quantify Cm(III) (0–100 µg mL −1 ) in HNO 3 (1–12 M) using steady-state laser fluorescence spectroscopy and multivariate regression models was developed. Photoluminescence is amenable to remote measurements using fiber-optic cables and is sensitive to numerous lanthanide and actinide species. In-line measurements can provide feedback to support complex processing in harsh environments (e.g., hot cells) to help guide and optimize radiochemical separations. In this work, Cm(III) spectra were acquired remotely in a glove box as a function of HNO 3 concentration to better understand spectral characteristics and evaluate the utility of multivariate regression models in this system. Furthermore, the Cm(III) fluorescence peak shape, width, position, and intensity changed significantly as a function of HNO 3 concentration, likely because of the displacement of emission quenching inner-sphere water molecules and complexation with nitrate ions. Despite significant covariance and nonlinearity in the data, a D-optimal design strategy successfully minimized training set sample size and was used to build effective partial least squares regression models for Cm(III) and HNO 3 concentrations without a priori knowledge of solution conditions. Chemometrics for modeling complex fluorescence spectra are promising and may find widespread applicability for online analysis in numerous chemical systems found in the nuclear field.

Actinide↗

DOE OSTI2020

A public website for the automated assessment and validation of SARS-CoV-2 diagnostic PCR assays

Abstract Summary Polymerase chain reaction-based assays are the current gold standard for detecting and diagnosing SARS-CoV-2. However, as SARS-CoV-2 mutates, we need to constantly assess whether existing PCR-based assays will continue to detect all known viral strains. To enable the continuous monitoring of SARS-CoV-2 assays, we have developed a web-based assay validation algorithm that checks existing PCR-based assays against the ever-expanding genome databases for SARS-CoV-2 using both thermodynamic and edit-distance metrics. The assay-screening results are displayed as a heatmap, showing the number of mismatches between each detection and each SARS-CoV-2 genome sequence. Using a mismatch threshold to define detection failure, assay performance is summarized with the true-positive rate (recall) to simplify assay comparisons. Availability and implementation The assay evaluation website and supporting software are Open Source and freely available at https://covid19.edgebioinformatics.org/#/assayValidation, https://github.com/jgans/thermonucleotide BLAST and https://github.com/LANL-Bioinformatics/assay_validation. Supplementary information Supplementary data are available at Bioinformatics online.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2026

SULI Report - Development of a Molten Salt Circulation Loop for in-situ Spectroscopy

This project supports the development of real time optical monitoring capabilities for molten salt reactor (MSR) environments by designing, testing, and refining a molten salt circulation loop suitable for combined laser induced breakdown spectroscopy (LIBS) and ultraviolet visible (UV Vis) absorption measurements. Online spectroscopic monitoring is increasingly important for nuclear safeguards, corrosion tracking, and material accountancy, yet MSR process fluids present substantial challenges due to their chemical complexity and hazards such as high temperatures and radiation. To address these needs, this work focuses on Phase I, the development of a room temperature aqueous circulation loop that serves as a surrogate platform for evaluating flow behavior, optical access, and component performance prior to high temperature salt operation. Initial testing identified several practical issues—including leaks, obstructions, and two-phase flow through the absorption cell—that were systematically resolved through hardware replacement, flow path redesign, and venturi pressure optimization. Relocating the flow cell upstream of the primary venturi enabled periods of stable single-phase flow, demonstrating the feasibility of integrating optical diagnostics into a circulation system. The results of Phase I provide essential design insight for Phase II, which will incorporate furnace compatible materials and LiCl KCl eutectic salt. Completion of the molten salt system will deliver a reusable testbed for evaluating multimodal spectroscopic techniques, advancing nondestructive, real time monitoring tools for future MSR and nuclear fuel cycle applications.

98 - NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL↗