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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 973 records · Page 54

What’s the Difference? The Potential for Convolutional Neural Networks for Transient Detection without Template Subtraction

Abstract We present a study of the potential for convolutional neural networks (CNNs) to enable separation of astrophysical transients from image artifacts, a task known as “real–bogus” classification, without requiring a template-subtracted (or difference) image, which requires a computationally expensive process to generate, involving image matching on small spatial scales in large volumes of data. Using data from the Dark Energy Survey, we explore the use of CNNs to (1) automate the real–bogus classification and (2) reduce the computational costs of transient discovery. We compare the efficiency of two CNNs with similar architectures, one that uses “image triplets” (templates, search, and difference image) and one that takes as input the template and search only. We measure the decrease in efficiency associated with the loss of information in input, finding that the testing accuracy is reduced from ∼96% to ∼91.1%. We further investigate how the latter model learns the required information from the template and search by exploring the saliency maps. Our work (1) confirms that CNNs are excellent models for real–bogus classification that rely exclusively on the imaging data and require no feature engineering task and (2) demonstrates that high-accuracy (>90%) models can be built without the need to construct difference images, but some accuracy is lost. Because, once trained, neural networks can generate predictions at minimal computational costs, we argue that future implementations of this methodology could dramatically reduce the computational costs in the detection of transients in synoptic surveys like Rubin Observatory's Legacy Survey of Space and Time by bypassing the difference image analysis entirely.

79 ASTRONOMY AND ASTROPHYSICS↗

A comparative analysis of numerical approaches for the description of gas flow in clay-based repository systems: From a laboratory to a large-scale gas injection test

There is nowadays a consensus among many countries that geological disposal is a favourable solution for the long-term management. Although different host formations and different barrier systems are under consideration around the world, clay-based materials form an important component for waste isolation in most national programmes. Hence, a good comprehension of the effect of gas flow on the hydro-mechanical behaviour of clay-based soils is essential, both at laboratory and field scale. Task B under the international cooperative project DECOVALEX-2023 has recently shown that, after some enhancement, models can be employed to reproduce laboratory scale tests, even with different sample geometries 37 . However, further work is required to understand whether they can be applied to simulate a large-scale experiment. Up-scaling of models for the advective transport of gas through clay-based low permeable material presents a number of problems related to the difficulty in obtaining consistent hydrogeological parameters and constitutive relationships at both laboratory and field scale. Based on a unique dataset from a large-scale gas injection test (Lasgit) performed at the Äspö Hard Rock Laboratory (Sweden), Task B within DECOVALEX-2023 has explored the refinement of these numerical strategies applied to the simulation of gas flow. Work performed within the task reveals that codes do not need to be substantially modified from the laboratory models to reproduce full-scale tests: indeed, model parameters calibrated and validated at laboratory scale have been applied to predict field scale gas flow at Lasgit, including peak gas pressure and injected cumulative gas volume. By means of (1) the introduction of interfaces between blocks to reflect the experimental configuration and the (2) adjustment of some parameters (e.g., higher permeability), the updated models are able to represent most of the key features observed in the experimental data, even at a large scale.

Tamayo-Mas, E↗

Optimization Simulations for a Gamma-Ray Calibration Standard for a Cyclic Neutron Activation Analysis Pneumatic System at the Penn State Breazeale Reactor

For new experimental setups, the initial testing and calibrations can be expensive and time consuming without prior optimization. However, these issues can be mitigated using realistic modeling and simulation studies of the proposed system a priori. Specifically, an experiment can be performed virtually using realistic simulations and the expected results evaluated to inform adjustments of the experimental setup to achieve optimum results. At the Penn State Breazeale Reactor, a new pneumatic transfer system has been developed for the detection and characterization of short-lived fission fragments to enhance and complement existing nuclear data. The system accomplishes this task by transporting samples cyclically between an assortment of gamma-ray/neutron detectors and the reactor-core vicinity with sub-second transit times. The measured neutron flux paired with simulations of detector response using Geant4 and a custom module for estimating cascade summing effects and corrections were used to select sample-material masses for system characterization. With the optimized sample masses, an experimental counting plan for characterizing the repeatability of the newly developed pneumatic system was developed. Finally, the predictions made with these simulations allowed for optimization of the irradiation sample characteristics and gamma-ray detection system.

cyclic neutron activation, gamma-ray spectroscopy↗

Blueprints for Training Information Bottlenecks for Collider Analyses

Dimensionality reduction is a crucial aspect of data analysis in high energy physics, even if accompanied by information loss. Several methods, including histogram- and kernel-based analyses, are only computationally feasible for low-dimensional data. Furthermore, simulation models used in HEP can often only be validated for low-dimensional data. We provide several blueprints for using machine learning to create low-dimensional data representations (continuous event variables and discrete classification labels) for use in signal discovery and parameter estimation tasks. We also describe how to design the learned representation to facilitate a) searches with unknown model parameters and b) validation of simulation models in data control regions.

43 PARTICLE ACCELERATORS↗

Bridging Equipment Reliability Data and Risk Informed Decisions in a Plant Operation Context

Industry equipment reliability and asset management programs are essential elements that help ensure the safe and economical operation of nuclear power plants. The effectiveness of these programs is addressed in several industry-developed and regulatory programs. The Risk-Informed Asset Management (RIAM) project is tasked to develop tools in support of the equipment reliability and asset management programs at nuclear power plants. These tools are designed to create a direct bridge between component health/lifecycle data and decision making (e.g., maintenance scheduling and project prioritization). The goal of this article is to provide a guide for specific use cases that the RIAM project is targeting. We have grouped uses cases into three main areas. The first area focuses on the analysis of equipment reliability data with a particular emphasis on condition-based data, such as test/surveillance reports and component monitoring data. The second area focuses on the integration of equipment reliability into system/plant reliability models to determine system/plant health and identify the components that are critical to maintain an operational system. Lastly, the third area manages plant resources, such as maintenance activities and replacement scheduling using optimization methods. Here the primary focus is on supporting typical system engineer decisions regarding maintenance activity scheduling and component aging management. This is performed in a risk-informed context where the term “risk” is broadly constructed to include both plant reliability and economics. This framework combines data analytics tools to analyze equipment reliability data with risk-informed methods designed to support system engineer decisions (e.g., maintenance and replacement schedules, optimal maintenance posture) in a customizable workflow.

97 - MATHEMATICS AND COMPUTING↗

Time Dilated Bundt Cake Analysis of PV Output [Poster]

We present a novel method for modeling time-dependent statistics in the power signal generated by a photovoltaic (PV) system. Our white-box machine learning method is interpretable and auditable, based on principles of multiperiodic basis functions and convex optimization. Our proposed method of time dilating the daily signal to remove night time values results in a novel representation of PV power signals, evocative of a ‘Bundt cake’. The proposed model describes the marginal distribution of power output as a function of date and time. The resulting probabilistic model of a PV system can be used to perform a variety of tasks, and here, we demonstrate the application of clear sky detection.

14 SOLAR ENERGY↗

Performance Analysis of an Optimization Algorithm for Metamaterial Design on the Integrated High-Performance Computing and Quantum Systems

Optimizing metamaterials with complex geometries is a big challenge. Although an active learning algorithm, combining machine learning (ML), quantum computing, and optical simulation, has emerged as an efficient optimization tool, it still faces difficulties in optimizing complex structures that have potentially high performance. In this work, we comprehensively analyze the performance of an optimization algorithm for metamaterial design on the integrated HPC and quantum systems. We demonstrate significant time advantages through message-passing interface (MPI) parallelization on the high-performance computing (HPC) system showing approximately 54% faster ML tasks and 67 times faster optical simulation against serial workloads. Furthermore, we analyze the performance of a quantum algorithm designed for optimization, which runs with various quantum simulators on a local computer or HPC-quantum system. Results showcase ~24 times speedup when executing the optimization algorithm on the HPC-quantum hybrid system. This study paves a way to optimize complex metamaterials using the integrated HPC-quantum system.

Kim, Seongmin↗

Scaling Resolution of Gigapixel Whole Slide Images Using Spatial Decomposition on Convolutional Neural Networks

Gigapixel images are prevalent in scientific domains ranging from remote sensing, and satellite imagery to microscopy, etc. However, training a deep learning model at the natural resolution of those images has been a challenge in terms of both, overcoming the resource limit (e.g. HBM memory constraints), as well as scaling up to a large number of GPUs. In this paper, we trained Residual neural Networks (ResNet) on 22,528 x 22,528-pixel size images using a distributed spatial decomposition method on 2,304 GPUs on the Summit Supercomputer. We applied our method on a Whole Slide Imaging (WSI) dataset from The Cancer Genome Atlas (TCGA) database. WSI images can be in the size of 100,000 x 100,000 pixels or even larger, and in this work we studied the effect of image resolution on a classification task, while achieving state-of-the-art AUC scores. Moreover, our approach doesn't need pixel-level labels, since we're avoiding patching from the WSI images completely, while adding the capability of training arbitrary large-size images. This is achieved through a distributed spatial decomposition method, by leveraging the non-block fat-tree interconnect network of the Summit architecture, which enabled GPU-to-GPU direct communication. Finally, detailed performance analysis results are shown, as well as a comparison with a data-parallel approach when possible.

Tsaris, Aristeidis (aris)↗

Development and Application of a Data-Driven Methodology for Validation of Risk-Informed Safety Margin Characterization Models

The document is the Final Technical Progress Report for the Nuclear Energy University Program’s Integrated Research Project (IRP) on “Development and Application of a Data-Driven Methodology for Validation of Risk-Informed Safety Margin Characterization Models” that supports the LWR Sustainability Program’s RISMC R&D Pathway. The project goal is to develop and demonstrate a data-driven methodology for validation of advanced computer models used in nuclear power plant safety analysis. Specifically, the advanced computer models are those in the toolkit developed to support risk-informed safety margin characterization (RISMC), an integrated deterministic/probabilistic safety analysis methodology developed in the Department of Energy’s Light Water Reactor Sustainability (LWR-S) program. The report reflects the progress made towards the project’s stated goal by contributions by researchers and graduate students from universities, with support from researchers from national laboratories and industry companies. The project organization, effort coordination and technical implementation are summarized, followed by discussion of main findings, issues, and path forward. Selected chapters provide a more detailed description of tasks, approaches and respective findings and recommendations. Noteworthy are contributions that serve as guidelines for methodology development. It is also noted that this report is complemented by other milestone reports (as stand-alone deliverables) that provide detailed discussion of the technical developments. The project results have been documented in a number (12) dissertations and these, 50+ peer-reviewed publications in technical journals and conference proceedings.

42 ENGINEERING↗

Efficient Data Management in Neutron Scattering Data Reduction Workflows at ORNL

Oak Ridge National Laboratory (ORNL) experimental neutron science facilities produce 1.2 TB a day of raw event-based data that is stored using the standard metadata-rich NeXus schema built on top of the HDF5 file format. Performance of several data reduction workflows is largely determined by the amount of time spent on the loading and processing algorithms in Mantid, an open-source data analysis framework used across several neutron sciences facilities around the world. The present work introduces new data management algorithms to address identified input output (I/O) bottlenecks on Mantid. First, we introduce an in-memory binary-tree metadata index that resemble NeXus data access patterns to provide a scalable search and extraction mechanism. Second, data encapsulation in Mantid algorithms is optimally redesigned to reduce the total compute and memory runtime footprint associated with metadata I/O reconstruction tasks. Results from this work show speed ups in wall-clock time on ORNL data reduction workflows, ranging from 11% to 30% depending on the complexity of the targeted instrument-specific data. Nevertheless, we highlight the need for more research to address reduction challenges as experimental data volumes increase.

Godoy, William↗

The impacts of training on change deafness and build-up in a flicker task

Performance on auditory change detection tasks can be improved by training. We examined the stimulus specificity of these training effects in behavior and ERPs. A flicker change detection task was employed in which spatialized auditory scenes were alternated until a "change" or "same" response was made. For half of the trials, scenes were identical. The other half contained changes in the spatial locations of objects from scene to scene. On Day 1, participants were either trained on this auditory change detection task (trained group), or trained on a non-auditory change detection task (control group). On Day 2, all participants were tested on the flicker task while EEG was recorded. The trained group showed greater change detection accuracy than the control group. They were less biased to respond "same" and showed full generalization of learning from trained to novel auditory objects. ERPs for "change" compared to "same" trials showed more negative going P1, N1, and P2 amplitudes, as well as a larger P3b amplitude. The P3b amplitude also differed between the trained and control group, with larger amplitudes for the trained group. Analysis of ERPs to scenes viewed prior to a decision revealed build-up of a difference between "change" and "same" trials in N1 and P2. Results demonstrate that training has an impact early in the "same" versus "change" decision-making process, and that the flicker paradigm combined with the ERP method can be used to study the build-up of change detection in auditory scenes.

60 APPLIED LIFE SCIENCES↗

Discovering Ca II absorption lines with a neural network

Quasar absorption line analysis is critical for studying gas and dust components and their physical and chemical properties as well as the evolution and formation of galaxies in the early universe. Calcium II (Ca II ) absorbers, which are one of the dustiest absorbers and are located at lower redshifts than most other absorbers, are especially valuable when studying physical processes and conditions in recent galaxies. However, the number of known quasar Ca II absorbers is relatively low due to the difficulty of detecting them with traditional methods. In this work, we developed an accurate and quick approach to search for Ca II absorption lines using deep learning. In our deep learning model, a convolutional neural network, tuned using simulated data, is used for the classification task. The simulated training data are generated by inserting artificial Ca II absorption lines into original quasar spectra from the Sloan Digital Sky Survey (SDSS), while an existing Ca II catalogue is adopted as the test set. The resulting model achieves an accuracy of 96 per cent on the real data in the test set. Our solution runs thousands of times faster than traditional methods, taking a fraction of a second to analyse thousands of quasars, while traditional methods may take days to weeks. The trained neural network is applied to quasar spectra from SDSS’s DR7 and DR12 and discovered 399 new quasar Ca II absorbers. In addition, we confirmed 409 known quasar Ca II absorbers identified previously by other research groups through traditional methods.

79 ASTRONOMY AND ASTROPHYSICS↗

Osprey Framework v0.2.2

The Alpha Berkeley Framework is a software architecture for building agentic AI systems that coordinate multi-step workflows in scientific and industrial environments. It is based on a plan-first orchestration model, where natural language requests are translated into execution plans with explicit dependencies and optional human approval. The framework includes capability classification, which selects relevant tools on a per-task basis to keep orchestration efficient as the number of available tools grows. It incorporates task extraction methods that compress conversational context and integrate external resources such as databases, APIs, and knowledge bases into structured, machine-readable tasks. Execution is supported by modular services with checkpointing, artifact management, and error handling, allowing workflows to be paused, inspected, and resumed. The system is designed for deployment in production environments, supporting both local and containerized execution as well as integration with HPC clusters. Interfaces include command-line tools, browser-based workflows, and containerized services. The framework has been demonstrated in tutorial examples and deployed at the Advanced Light Source, where it coordinates accelerator control and analysis workflows.

Hellert, Thorsten [Lawrence Berkeley National Labo↗

Machine Reading at Scale: A Search Engine for Scientific and Academic Research

The Internet, much like our universe, is ever-expanding. Information, in the most varied formats, is continuously added to the point of information overload. Consequently, the ability to navigate this ocean of data is crucial in our day-to-day lives, with familiar tools such as search engines carving a path through this unknown. In the research world, articles on a myriad of topics with distinct complexity levels are published daily, requiring specialized tools to facilitate the access and assessment of the information within. Recent endeavors in artificial intelligence, and in natural language processing in particular, can be seen as potential solutions for breaking information overload and provide enhanced search mechanisms by means of advanced algorithms. As the advent of transformer-based language models contributed to a more comprehensive analysis of both text-encoded intents and true document semantic meaning, there is simultaneously a need for additional computational resources. Information retrieval methods can act as low-complexity, yet reliable, filters to feed heavier algorithms, thus reducing computational requirements substantially. In this work, a new search engine is proposed, addressing machine reading at scale in the context of scientific and academic research. It combines state-of-the-art algorithms for information retrieval and reading comprehension tasks to extract meaningful answers from a corpus of scientific documents. The solution is then tested on two current and relevant topics, cybersecurity and energy, proving that the system is able to perform under distinct knowledge domains while achieving competent performance.

Sousa, Norberto (ORCID:0000000329194817)↗

LHC hadronic jet generation using convolutional variational autoencoders with normalizing flows

Abstract In high energy physics, one of the most important processes for collider data analysis is the comparison of collected and simulated data. Nowadays the state-of-the-art for data generation is in the form of Monte Carlo (MC) generators. However, because of the upcoming high-luminosity upgrade of the Large Hadron Collider (LHC), there will not be enough computational power or time to match the amount of needed simulated data using MC methods. An alternative approach under study is the usage of machine learning generative methods to fulfill that task. Since the most common final-state objects of high-energy proton collisions are hadronic jets, which are collections of particles collimated in a given region of space, this work aims to develop a convolutional variational autoencoder (ConVAE) for the generation of particle-based LHC hadronic jets. Given the ConVAE’s limitations, a normalizing flow (NF) network is coupled to it in a two-step training process, which shows improvements on the results for the generated jets. The ConVAE+NF network is capable of generating a jet in 18.30 ± 0.04 μ s , making it one of the fastest methods for this task up to now.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Empowering Scientific Discovery Through Computing at the Advanced Photon Source

This paper explores the challenges and solutions for managing and processing the vast amount of data generated by the Advanced Photon Source (APS), a synchrotron light source facility producing ultra-bright x-rays for diverse scientific domains. With 68 experimental beamlines covering materials research, biology, and more, the APS serves a wide user base across academia, government, and industry. The ongoing upgrade of the APS storage ring and installation of new instruments will amplify data generation and processing demands. This paper discusses the approach to address these demands through automated data processing using standardized workflows that produce faster scientific insights. The APS Data Management System coordinates various data related tasks to manage storage, data transfer, metadata cataloging, data processing, and interfaces with tools provided by Globus. Through integration with the Argonne Leadership Computing Facility (ALCF), APS users can efficiently access high-performance computing resources. Standardized workflows have led to reduced computational burdens on scientists and greater accessibility of high performance computing resources. We demonstrate how standardization and collaboration enable scientists to rapidly convert raw data into meaningful scientific results, establishing a streamlined path from data collection to analysis and ultimately to publication.

Parraga, Hannah↗

Distribution Substation Planning Toolkit (dsp-toolkit) v1.0

The Distribution Substation Planning Toolkit (DSP Toolkit) is a software suite designed to streamline the planning and optimization of distribution substations. This toolkit offers a comprehensive set of tools and APIs for data curation, short-term electric load forecasting, and weather-sensitive load adjustment, making it an essential resource for utility companies, engineers, and researchers. Features • Data Preprocessing and Curation: Efficiently manage and preprocess large datasets to ensure high-quality input for analysis. • Short-Term Load Forecasting: Utilize data-driven models to predict short-term electric loads accurately. • Weather-Sensitive Modeling: Automatically adjust load forecasts based on weather data to predict future peak demands more precisely. Uses The DSP Toolkit is ideal for planning and optimizing distribution substations, providing a user-friendly interface and comprehensive documentation. It is suitable for both novice and experienced users, facilitating efficient and accurate planning processes. Advantages • Efficiency: Automates complex planning tasks, reducing manual effort and minimizing errors. • Scalability: Handles large datasets and complex models, making it suitable for large-scale projects. • Community and Support: Open-source with active community contributions, ensuring continuous improvement and support. • Extensibility: Easily extendable with custom modules and plugins, allowing users to tailor the toolkit to their specific needs. The DSP Toolkit stands out by offering a robust, flexible, and user-friendly solution for distribution substation planning. Public Abstract

Li, Han [Lawrence Berkeley National Laboratory (LB↗

Discrete modeling of a transformer with ALEGRA

We report progress on a task to model transformers in ALEGRA using the “Transient Magnetics” option. We specifically evaluate limits of the approach resolving individual coil wires. There are practical limits to the number of turns in a coil that can be numerically modeled, but calculated inductance can be scaled to the correct number of turns in a simple way. Our testing essentially confirmed this “turns scaling” hypothesis. We developed a conceptual transformer design, representative of practical designs of interest, and that focused our analysis. That design includes three coils wrapped around a rectangular ferromagnetic core. The secondary and tertiary coils have multiple layers. The tertiary has three layers of 13 turns each; the secondary has five layers of 44 turns; the primary has one layer of 20 turns. We validated the turns scaling of inductance for simple (one-layer) coils in air (no core) by comparison to available independent calculations for simple rectangular coils. These comparisons quantified the errors versus reduced number of turns modeled. For more than 3 turns, the errors are <5%. The magnetic field solver failed to converge (within 5000 iterations) for >10 turns. Including the core introduced some complications. It was necessary to capture the core surfaces in thin grid sheaths to minimize errors in computed magnetic energy. We do not yet have quantitative benchmarks with which to compare, but calculated results are qualitatively reasonable.

42 ENGINEERING↗