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New York-Presbyterian and Columbia University Irving Medical Center Requirements (Analysis Report)

EPOC uses the Deep Dive process to discuss and analyze current and planned science, research, or education activities and the anticipated data output of a particular use case, site, or project to help inform the strategic planning of a campus or regional networking environment. This includes understanding future needs related to network operations, network capacity upgrades, and other technological service investments. A Deep Dive comprehensively surveys major research stakeholders’ plans and processes in order to investigate data management requirements over the next 5–10 years. Between February and June 2024, staff members from the Engagement and Performance Operations Center (EPOC) met with researchers and staff from New York-Presbyterian (NYP), Columbia University Irving Medical Center (CUIMC), and NYSERNet for the purpose of a Deep Dive into scientific and research drivers. The goal of this activity was to help characterize the requirements for a number of campus use cases, and to enable cyberinfrastructure support staff to better understand the needs of the researchers within the community. Material for this event included the written documentation from each of the profiled research areas, documentation about the current state of technology support, and a write-up of the discussion that took place via e-mail and video conferencing. The case studies highlighted the ongoing challenges and opportunities that NYP and CUIMC have in supporting a cross-section of established and emerging research use cases. Each case study mentioned unique challenges which were summarized into common needs.

97 MATHEMATICS AND COMPUTING↗

Salk Institute for Biological Studies Requirements (Analysis Report)

EPOC uses the Deep Dive process to discuss and analyze current and planned science, research, or education activities and the anticipated data output of a particular use case, site, or project to help inform the strategic planning of a campus or regional networking environment. This includes understanding future needs related to network operations, network capacity upgrades, and other technological service investments. A Deep Dive comprehensively surveys major research stakeholders’ plans and processes in order to investigate data management requirements over the next 5–10 years. Between February and March 2024, staff members from the Engagement and Performance Operations Center (EPOC) met with researchers and staff from the Salk Institute for Biological Studies (Salk) for the purpose of a Deep Dive into scientific and research drivers. The goal of this activity was to help characterize the requirements for a number of campus use cases, and to enable cyberinfrastructure support staff better to understand the needs of the researchers within the community. Material for this event included the written documentation from each of the profiled research areas, documentation about the current state of technology support, and a write-up of the discussion that took place via e-mail and video conferencing. The case studies highlighted the ongoing challenges and opportunities that Salk Institute for Biological Studies have in supporting a cross-section of established and emerging research use cases. Each case study mentioned unique challenges which were summarized into common needs.

59 BASIC BIOLOGICAL SCIENCES↗

SRBench++: Principled Benchmarking of Symbolic Regression With Domain-Expert Interpretation

Symbolic regression searches for analytic expressions that accurately describe studied phenomena. The main promise of this approach is that it may return an interpretable model that can be insightful to users, while maintaining high accuracy. The current standard for benchmarking these algorithms is SRBench, which evaluates methods on hundreds of datasets that are a mix of real-world and simulated processes spanning multiple domains. At present, the ability of SRBench to evaluate interpretability is limited to measuring the size of expressions on real-world data, and the exactness of model forms on synthetic data. In practice, model size is only one of many factors used by subject experts to determine how interpretable a model truly is. Furthermore, SRBench does not characterize algorithm performance on specific, challenging sub-tasks of regression such as feature selection and evasion of local minima. In this work, we propose and evaluate an approach to benchmarking SR algorithms that addresses these limitations of SRBench by 1) incorporating expert evaluations of interpretability on a domain-specific task, and 2) evaluating algorithms over distinct properties of data science tasks. We evaluate 12 modern symbolic regression algorithms on these benchmarks and present an in-depth analysis of the results, discuss current challenges of symbolic regression algorithms and highlight possible improvements for the benchmark itself.

97 MATHEMATICS AND COMPUTING↗

Operating Experience Data Analysis for Digital Instrumentation and Control System Reliability and Risk Assessment in Nuclear Power Plants

The implementation of advanced digital instrumentation and control (DI&C) systems in U.S. nuclear power plants (NPPs) can bring significant advancements in reliability, monitoring, and control capabilities. However, these systems also introduce new challenges, particularly in assessing risks such as common-cause failures (CCFs) and establishing robust reliability estimates for DI&C components. Addressing these challenges is critical for ensuring the safe and efficient operation of NPPs. Recently, Idaho National Laboratory was tasked by the U.S. Nuclear Regulatory Commission (NRC) to conduct a DI&C reliability study using operating experience data from the nuclear industry. The two operating experience data sources for the study are the Institute of Nuclear Power Operations’ Industry Reporting and Information System (IRIS) and the NRC’s Licensee Event Report database which is hosted at Idaho National Laboratory at https://lersearch.inl.gov/LERSearchCriteria.aspx. This report provides a comprehensive examination of DI&C systems, including their architecture, operational advantages, and associated challenges. It reviews existing industry DI&C studies and failure mode taxonomies, along with reliability data from various industries. Through a detailed analysis of these databases, the study provides insights into DI&C system performance. Considerations should be given to incorporate DI&C failure data into the NRC's Integrated Data Collection and Coding System and updating the Reliability and Availability Data System to support ongoing DI&C reliability studies. Recommendations are also provided for modeling DI&C reliability and CCF in probabilistic risk assessment, thereby supporting risk-informed decision-making and enhancing the reliability and safety of NPPs.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Archetype-based Redshift Estimation for the Dark Energy Spectroscopic Instrument Survey

We present a computationally efficient galaxy archetype-based redshift estimation and spectral classification method for the Dark Energy Survey Instrument (DESI) survey. The DESI survey currently relies on a redshift fitter and spectral classifier using a linear combination of principal component analysis–derived templates, which is very efficient in processing large volumes of DESI spectra within a short time frame. However, this method occasionally yields unphysical model fits for galaxies and fails to adequately absorb calibration errors that may still be occasionally visible in the reduced spectra. Our proposed approach improves upon this existing method by refitting the spectra with carefully generated physical galaxy archetypes combined with additional terms designed to absorb data reduction defects and provide more physical models to the DESI spectra. We test our method on an extensive data set derived from the survey validation (SV) and Year 1 (Y1) data of DESI. Our findings indicate that the new method delivers marginally better redshift success for SV tiles while reducing catastrophic redshift failure by 10%–30%. At the same time, results from millions of targets from the main survey show that our model has relatively higher redshift success and purity rates (0.5%–0.8% higher) for galaxy targets while having similar success for QSOs. These improvements also demonstrate that the main DESI redshift pipeline is generally robust. Additionally, it reduces the false-positive redshift estimation by 5%–40% for sky fibers. We also discuss the generic nature of our method and how it can be extended to other large spectroscopic surveys, along with possible future improvements.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Bayesian Statistical Analysis for Mass Spectrometric Data Processing

• Thermal ionization mass spectrometry (TIMS) is a “gold standard’ technique for actinide isotope amount ratio and assay measurements. • Ubiquitously used in: • Nuclear Nonproliferation • Nuclear Safeguards • Nuclear Forensics • Basic Science • Savannah River National Laboratory (SRNL) installed a new Thermo Scientific TRITON Plus TIMS in early 2024.

McLarty, Ellis C. [Savannah River National Laborat↗

Bayesian Statistical Analysis for Mass Spectrometric Data Processing

Thermal ionization mass spectrometry (TIMS) is a “gold standard’ technique for actinide isotope amount ratio and assay measurements. • Ubiquitously used in: • Nuclear Nonproliferation • Nuclear Safeguards • Nuclear Forensics • Basic Science • Savannah River National Laboratory (SRNL) installed a new Thermo Scientific TRITON Plus TIMS in early 2024.

McLarty, Ellis C. [Savannah River National Laborat↗

Path Forward: Materials Data Modernization for ASME Codes and Standards in the Artificial Intelligence Era

Development of the ASME Materials Properties Database was initiated in the early 2010s to support the ASME Codes and Standards. As information technologies advance at an accelerated pace with the artificial intelligence era on the horizon, the ASME Materials Properties Database must be further modernized from a database to a knowledgebase to ride the wave of digital information revolution and effectively support the ASME Codes and Standards in the new era. This paper is intended to provide an overview of the ASME Materials Properties Database and discuss a roadmap for its future development to facilitate understanding of and participation from different sectors of the Codes and Standards community. Further, it first reviews the basic concepts of data, information, knowledge, database, and database system as well as the pros and cons in different types of data management and then discusses the path forward for a desired evolution of the database into a self-explanatory and machine-readable knowledgebase that is consistent with human cognitive processes for the Codes and Standards development and, furthermore, provides resources for data processing and analysis to reach an eventual goal of streamlining the Codes and Standards development from the initial inquiry, throughout data submission, analysis, …, to Codes and Standards rule establishment for final publication.

36 MATERIALS SCIENCE↗

OPEN-Augmented Reality GUI for Bioenergy Crop Phenotyping and Precision Agriculture (Donald Danforth Plant Science Center Final Scientific Technical Report)

The project led by the Donald Danforth Plant Science Center, in collaboration with Arizona State University, George Washington University, and Saint Louis University, has made significant strides in advancing the phenotypic analysis of bioenergy crops through the development of an innovative AI processing pipeline. This initiative was primarily funded by ARPA-E, with additional cost-sharing provided by the participating institutions. The project successfully utilized a variety of sensors—3D scanners, thermal, RGB, and hyperspectral—to refine algorithms for data-driven trait signature identification and improve the classification and visualization of plant traits. The developed AI processing pipeline is capable of handling the complex, multidimensional data characteristic of dynamic agricultural environments. 1) Contributions to understanding: The research has advanced the field of plant phenomics by showcasing the synergistic use of various sensor data to enhance the precision of trait analysis in bioenergy crops. Through the integration of 3D scanners, thermal, RGB, and hyperspectral sensors, the project has developed robust data-driven trait signature algorithms and visualization techniques. These innovations have facilitated detailed monitoring and management of plant traits, providing vital insights into plant growth dynamics and stress responses. Further, the project has broadened our understanding of how machine learning can be effectively applied in multi-sensor environments to refine trait analysis. By leveraging diverse datasets, the research has not only improved the accuracy of phenotypic assessments but also established a versatile methodological framework that can be extended beyond agriculture to other fields requiring detailed phenotypic analysis. 2) Technical effectiveness and economic feasibility: The AI processing pipeline developed in this project demonstrated significant technical effectiveness, achieving high throughput analysis of extensive phenotypic data and meeting targeted accuracies. This system exemplified the capability of advanced machine learning technologies to efficiently manage and analyze large, complex datasets. Economically, the implementation of the project-developed pipelines may offer substantial cost savings across multiple sectors. It enhances data analysis processes and significantly reduces the need for manual data interpretation, thereby decreasing both the time and resources required. 3) Public benefit: The project has significantly broadened the scope of agricultural methodologies to enhance phenotypic analysis, with potential applications in various sectors beyond agriculture. Additionally, the initiative fostered an enriching educational and collaborative environment, significantly enhancing the technical skills of participants. It also made substantial contributions to the scientific community by providing open-access data sets and tools, encouraging ongoing research and development across various disciplines. Overall, the project not only met its scientific goals but also showcased the extensive utility of integrating advanced machine learning and sensor data analysis technologies. These advancements have proven instrumental in driving forward both theoretical research and practical applications, setting a strong foundation for future explorations and innovations in data-driven science.

60 APPLIED LIFE SCIENCES↗

21 cm Power Spectrum Analysis of North Celestial Pole Observations with the Tianlai Dish Pathfinder Array

The Tianlai Dish Pathfinder Array (TDPA) is a radio interferometer designed to test techniques for 21 cm intensity mapping in the post-reionization Universe as a means of measuring large-scale cosmic structure. Using nine nights of observations targeting the North Celestial Pole field, totaling approximately 107 hr of integration time, we analyze data in the frequency range 700–800 MHz (corresponding to redshift z ∼ 0.9). We do the data format conversion, radio frequency interference flagging, calibration, imaging and point source subtraction, and foreground removal via Singular Value Decomposition. The spherically averaged power spectrum Δ 2 (k) is obtained. Furthermore, this work successfully establishes and validates a comprehensive data analysis framework for the TDPA. We identify key improvements including sky model refinement, increased integration time, and pipeline optimization that will enable future detection of the 21 cm signal through auto-correlation and cross-correlation with optical galaxy surveys.

cosmology: large-scale structure of universe↗

Defining the 50-Year Module: Luck, Design, or Both?

Poster presenting a new Duramat project that will develop a science-based definition of a "50-year solar panel" by combining reliability data, climate risks, design choices, and long-term cost analysis. The work aims to clarify what is needed to enable longer-lasting, high-value solar systems.

14 SOLAR ENERGY↗

Imaging and spatially resolved mass spectrometry applications in nephrology

The application of spatially resolved mass spectrometry (MS) and MS imaging approaches for studying biomolecular processes in the kidney is rapidly growing. These powerful methods, which enable label-free and multiplexed detection of many molecular classes across omics domains (including metabolites, drugs, proteins and protein post-translational modifications), are beginning to reveal new molecular insights related to kidney health and disease. Further, the complexity of the kidney often necessitates multiple scales of analysis for interrogating biofluids, whole organs, functional tissue units, single cells and subcellular compartments. Various MS methods can generate omics data across these spatial domains and facilitate both basic science and pathological assessment of the kidney. Optimal processes related to sample preparation and handling for different MS applications are rapidly evolving. Emerging technology and methods, improvement of spatial resolution, broader molecular characterization, multimodal and multiomics approaches and the use of machine learning and artificial intelligence approaches promise to make these applications even more valuable in the field of nephology. Overall, spatially resolved MS and MS imaging methods have the potential to fill much of the omics gap in systems biology analysis of the kidney and provide functional outputs that cannot be obtained using genomics and transcriptomic methods.

60 APPLIED LIFE SCIENCES↗

Curating Carbon Storage Data for Reuse: Enabling Research and Modeling from Earth’s Surface to Subsurface

The volume of public geologic carbon storage (GCS) data resources has continued to increase in recent years as the result of an increase in funding from government, industry, and academia towards national, basin, regional and field scale studies to ensure carbon capture and storage becomes a commercially viable operation. Despite the increasing volume of data, GCS data applied towards analyses such as geologic, cost, and risk modeling continues to be multi-sourced and often disparate in nature, published across government agencies, websites, data repositories and buried in derivative reports and documents. Much of the time preparing for an analysis and derivative product development is spent collecting, aggregating, transforming and preparing input data. There have been significant efforts within the DOE National Energy Technology Laboratory’s Carbon Storage Program to optimize multi-source, multi-scale subsurface geologic data curation and aggregation to support data discovery, interoperability, and reuse. Methods include the use of artificial intelligence, machine learning, and data science techniques. This talk will discuss the workflows, best practices, and processes developed to support the aggregation and curation of data through the whole system – surface to subsurface data - that support multi-scale, multi-purpose analysis for carbon storage research.

Morkner, Paige↗

Energy-resolved neutron imaging and diffraction including grain orientation mapping using event camera technology

Time-of-flight neutron diffraction and energy-resolved imaging each provide unique perspectives into material properties. Neutron diffraction is useful for assessing microstructural parameters such as phase composition, texture, and dislocation densities, though it typically provides averaged data over the sampled volume. Energy-resolved imaging, on the other hand, offers both spatial and spectral information by detecting Bragg edges and neutron absorption resonances, which enables detailed mapping of microstructure and isotopic composition. When combined, these techniques have the potential to enrich our understanding of material behavior across different scales, enhancing our understanding of complex materials. Traditionally, these modalities are conducted on separate instruments, which is time-consuming and poses challenges for data integration. Here, we report the integration of the LumaCam, an event-mode energy-resolved neutron imaging camera with the HIPPO time-of-flight diffractometer at LANSCE. This integration enables simultaneous diffraction and imaging across the full spectrum, with analysis optimized for diffraction and Bragg-edge imaging in the thermal range (0.45–10 Å) and resonance imaging in the epithermal range (0.5–3000 eV), facilitating comprehensive multi-modal analysis. We demonstrate its capabilities through case studies, including spatial mapping of grain orientations in a steel sample and accurate thickness estimations for irregular samples including a depleted uranium cylinder and a natural silver-containing mineral specimen. The combined setup enhances real-time sample alignment and provides comprehensive data for crystal structure, texture, and isotopic composition analysis. This approach opens new possibilities for advanced applications in nuclear engineering, archaeology, and materials science.

36 MATERIALS SCIENCE↗

Visualization Within the Department of Energy: NREL IEEE VIS Application Spotlight

This presentation highlights the role of advanced visualization techniques at the National Renewable Energy Laboratory (NREL) in supporting cutting-edge research across diverse energy domains. From immersive analytics and uncertainty visualization to high-resolution and real-time data analysis, NREL's visualization capabilities enable scientists to explore complex datasets more effectively. These tools are critical for advancing research in materials science, renewable energy technologies, biofuels, electric vehicle infrastructure, energy efficiency - from industrial processes to entire communities - and then bringing these innovations to practice through energy systems integration. NREL's visualization tools drive innovation across renewable energy and grid modernization efforts by providing deeper insights and improving decision-making.

grid modernization↗

RUBISCO Soil Moisture Working Group (SMWG) Mini-Workshop Report

The RUBISCO Soil Moisture Working Group (SMWG), an initiative bolstered by the DOE RUBISCO Science Focus Area project, is committed to unraveling the intricacies of soil moisture and its profound impact on global hydrology, energy, and biogeochemical cycles. Confronted with the complex challenges in multi-scale SM data development, feedback analysis, and model benchmarking, the SMWG aims to catalyze advancements in the field through a synergistic approach that engages leaders in soil moisture research and encompasses diverse datasets and novel analytical techniques.

54 ENVIRONMENTAL SCIENCES↗