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At least 217 records · Page 12

Co-design of Advanced Architectures for Graph Analytics using Machine Learning

A graph is an excellent way of representing relationships among entities. We can use graph analytics to synthesize and analyze such relational data, and extract relevant features that are useful for various tasks such as machine learning. Considering the crucial role of graph analytics in various domains, it is important and timely to investigate the right hardware configurations that can achieve optimal performance for graph workloads on future high-performance computing systems. Design space exploration studies facilitate the selection of appropriate configurations (e.g. memory) to achieve a desired system performance. Recently, the approach of accelerating graph analytics using persistent non-volatile memory has gained a lot of attention. Traditional system simulators such as Gem5 and NVMain can be used to explore the design space of these advanced memory architectures for graph workloads. However, these simulators are slow in execution thus limiting the efficiency of design space exploration studies. To overcome this challenge, we proposed a machine learning based approach to co-design advanced memory architectures for graph workloads. We tested our approach with DRAM, non-volatile memory, and hybrid memory (DRAM+NVM) using a breadth first search benchmark algorithm. Our results showed the applicability of the proposed machine learning based approach to the co-design of the advanced memory architectures. In this paper, we provide recommendations on selecting advanced memory architectures to achieve desired performance for graph workloads. We also discuss the performances of different machine learning models that were considered in this study.

Kurte, Kuldeep↗

An Integrated Platform for Collaborative Data Analytics

While collaboration among data scientists is a key to organizational productivity, data analysts face significant barriers to achieving this end, including data sharing, accessing and configuring the required computational environment, and a unified method of sharing knowledge. Each of these barriers to collaboration is related to the fundamental question of knowledge management “how can organizations use knowledge more effectively?”. In this paper, we consider the problem of knowledge management in collaborative data analytics and present ShareAL, an integrated knowledge management platform, as a solution to that problem. The ShareAL platform consists of three core components: a full stack web application, a dashboard for analyzing streaming data and a High Performance Computing (HPC) cluster for performing real time analysis. Prior research has not applied knowledge management to collaborative analytics or developed a platform with the same capabilities as ShareAL. ShareAL overcomes the barriers data scientists face to collaboration by providing intuitive sharing of data and analytics via the web application, a shared computing environment via the HPC cluster and knowledge sharing and collaboration via a real time messaging application.

Oesch, T↗

Analytic Thermal Model of an Optical Fiber Based Gamma Thermometer and its Application in a University Research Reactor

This paper describes and validates, by comparison with numerical modeling results, an analytical model of thermal transport in an optical fiber based gamma thermometer (OFBGT) that is appropriate for use in university research reactors. The maximum temperature difference between the thermal mass and the outer sheath ( &#x0394;<!-- Δ --> T ) for the OFBGT design that we have considered is approximately 50 &#x2218;<!-- ° --> C , for the OFBGT in the Central Irradiation Facility of the Ohio State University Research Reactor (OSURR) with the reactor operating at full power (450 kW). The maximum value of &#x0394;<!-- Δ --> T that is predicted by the analytic model for the OFBGT design is smaller by approximately 1.1 °C than the value of &#x0394;<!-- Δ --> T which is predicted by the numerical model, for the same OFBGT design, but including all the details of the design. We have used the analytical model of thermal transport in an OFBGT to determine a normalized Modulation Transfer Function M T F &#x2032; ( k ) ) for the OFBGT. We conclude that MTF &#x2032;<!-- ' --> ( k OSU ) > 0.99 , where k OSU is the spatial frequency for the axial dependence of the reactor power distribution in the

47 OTHER INSTRUMENTATION↗

Learning Global Proliferation Expertise Evolution Using AI-Driven Analytics and Public Information

Detecting and anticipating global proliferation expertise and capability evolution from unstructured, noisy, and incomplete public data streams is a highly desired, but extremely challenging task. Here, in this article, we present our pioneering data-driven approach to support the non-proliferation mission to detect and explain the evolution of proliferation expertise and capability development globally from terabytes of publicly available information (PAI), focusing on our knowledge extraction pipeline and descriptive analytics. We first discuss how we fuse nine open-source data streams, including multilingual data, to convert 4 TB of unstructured data to structured knowledge and encode dynamically evolving proliferation expertise representations—content and context graphs. For this, we rely on natural language processing (NLP) and deep learning (DL) models to perform information extraction, topic modeling, and distributed text representation (aka embedding) learning. We then present interactive, usable, and explainable descriptive analytics to refine domain knowledge and present it in a human-understandable form. Finally, we introduce future work avenues that will leverage our dynamic knowledge representations and descriptive analytics to enable predictive and prescriptive inferences to achieve real-time domain understanding and contextual reasoning about global proliferation expertise and capability evolution.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

Generalized Analytical Estimation of Sensitivity Matrices in Unbalanced Distribution Networks

Fast and accurate estimation of sensitivity matrices is significant for the enhancement of distribution system modeling and automation. Analytical estimations have mainly focused on voltage magnitude sensitivity to active/reactive power injections for unbalanced networks with Wye-connected loads and neglecting DERs' smart inverter functionality. Hence, this paper enhances the scope of analytical estimation of sensitivity matrices for unbalanced networks with 1- Φ, 2- Φ, and 3- Φ Delta/Wye-connected loads, DERs with smart inverter functionality, and substation/line step-voltage regulators (SVR). A composite bus model comprising of DER, Delta- and Wye-connected load is proposed to represent a generic distribution bus, which can be simplified to load, PV, or voltage-controlled bus as required. Furthermore, the proposed matrix-based analytical method consolidates voltage magnitude and angle sensitivity to active/reactive power injection and tap-position of all SVRs into a single algorithm. Extensive case studies on IEEE and EPRI networks show the accuracy and wide scope of the proposed algorithm compared to the existing benchmark method.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Beyond Visual Analytics: Human-Machine Teaming for AI-Driven Data Sensemaking

"Detect the expected, discover the unexpected" was the founding principle of the field of visual analytics. This mantra implies that human stakeholders, like a domain expert or data analyst, could leverage visual analytics techniques to seek answers to known unknowns and discover unknown unknowns in the course of the data sensemaking process. We argue that in the era of AI-driven automation, we need to recalibrate the roles of humans and machines (e.g., a machine learning model) as teammates. We posit that by realizing human-machine teams as a stakeholder unit, we can better achieve the best of both worlds: automation transparency and human reasoning efficacy. However, this also increases the burden on analysts and domain experts towards performing more cognitively demanding tasks than what they are used to. In this paper, we reflect on the complementary roles in a human-machine team through the lens of cognitive psychology and map them to existing and emerging research in the visual analytics community. We discuss open questions and challenges around the nature of human agency and analyze the shared responsibilities in human-machine teams.

Sensemaking, human-machine teaming, agency, artifi↗

Bridging the Gap between Analytical and Microbial Sciences in Microbiome Research

Metabolites from the microbiome influence human, animal, and environmental health, but the diversity and functional roles of these compounds have only begun to be elucidated. Comprehensively characterizing these molecules are significant challenges, as it requires expertise in analytical methods, such as mass spectrometry and nuclear magnetic resonance spectroscopy, skills that not many traditional microbiologists or microbial ecologists possess. This creates a gap between microbiome scientists that want to understand the role of microbial metabolites in microbiome systems and the skills required to generate and interpret complex metabolomics data sets. To bridge this gap, microbiome scientists should engage analytical chemists to best understand the underlying chemical principles of the data. Conversely, analytical scientists are encouraged to engage with microbiome scientists to better understand the biological questions being asked with metabolomics and to best communicate its intricacies. Better communication across the chemistry/biology disciplines will further reveal the “dark matter” within microbiomes that maintain healthy humans and environments.

59 BASIC BIOLOGICAL SCIENCES↗

Analytic solutions of the DGLAP evolution and theoretical uncertainties

The energy dependence for the singlet sector of Parton Distributions Functions (PDFs) is described by an entangled pair of ordinary linear differential equations. Although there are no exact analytic solutions, it is possible to provide approximated results depending on the assumptions and the methodology adopted. These results differ in their sub-leading, neglected terms and ultimately they are associated with different treatments of the theoretical uncertainties. In this work, a novel analytic approach in Mellin space is presented and a new methodology for obtaining closed and exponentiated analytic solutions is devised. Different results for the DGLAP evolution at Next-Leading-Order are compared, discussing advantages and disadvantages for each solution. The generalizations to higher orders are addressed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Analytical and Numerical Analysis of Lithium Plating Onset in Single and Bilayer Graphite Electrodes during Fast Charging

Lithium plating is commonly observed in anodes charged at fast rates, and can lead to capacity loss and battery safety issues. The increased risk of plating has been attributed to transport limitations, and architectured electrodes may reduce plating risk. However, while theoretical studies have shown that reaction non-uniformity arises due to interplay of transport limitations, anode open circuit voltage behavior and reaction kinetics, its effect on lithium plating has not been studied. We use analytic and numerical simulations to predict onset of plating in graphite anode half-cells at high C-rates and demonstrate how anodes with layered porosities can delay plating. Simplified analytical models identify trends for plating onset and predictions are calibrated against numerical models. A calibrated numerical model of graphite demonstrates qualitative agreement with analytical model predictions. This reaction inhomogeneity mechanism occurs in the absence of lithium ion depletion, indicating that these mechanisms may contribute to capacity loss independently or simultaneously. A bilayer model of graphite exhibits delayed plating onset, and an optimization procedure is presented. This theoretical work presents quantitative and mechanistic insight on how reaction inhomogenity affects lithium metal plating onset and can be used as a guide to engineer anodes resistant to lithium plating.

Mijailovic, Aleksandar S.↗

Semi-analytic model of magnetized liner inertial fusion

The code that was developed is called SAMM (Semi-Analytic MagLIF Model). In 2015, McBride and Slutz published all of the equations that are solved by the code in the original SAMM paper: R. D. McBride and S. A. Slutz, ?A semi-analytic model of magnetized liner inertial fusion?, Phys. Plasmas 22, 052708 (2015); http://doi.org/10.1063/1.4918953. The SAMM code is now implemented in both the MATLAB and Python programming languages. Students from multiple universities have requested copies of the code so that they can become more familiar with the MagLIF concept. We would like to seek an open-source solution. There is no market value to this code, as there are plenty of more sophisticated simulation codes already available; SAMM is merely a simplified model that is purely for educational purposes. In fact, at least one graduate student (from the University of California, San Diego) has already implemented and published his own modified version of the model: J. Narkis, H. U. Rahman, J. C. Valenzuela, F. Conti, R. D. McBride, D. Venosa, and F. N. Beg, ?A semi-analytic model of gas-puff liner-on-target magneto-inertial fusion?, Phys. Plasmas 26, 032708 (2019); https://doi.org/10.1063/1.5086056. SAND2020-12244 M Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Moore, Thomas↗

Machine learning in analytical spectroscopy for nuclear diagnostics [Invited]

Analytical spectroscopy methods have shown many possible uses for nuclear material diagnostics and measurements in recent studies. In particular, the application potential for various atomic spectroscopy techniques is uniquely diverse and generates interest across a wide range of nuclear science areas. Over the last decade, techniques such as laser-induced breakdown spectroscopy, Raman spectroscopy, and x-ray fluorescence spectroscopy have yielded considerable improvements in the diagnostic analysis of nuclear materials, especially with machine learning implementations. These techniques have been applied for analytical solutions to problems concerning nuclear forensics, nuclear fuel manufacturing, nuclear fuel quality control, and general diagnostic analysis of nuclear materials. The data yielded from atomic spectroscopy methods provide innovative solutions to problems surrounding the characterization of nuclear materials, particularly for compounds with complex chemistry. Implementing these optical spectroscopy techniques can provide comprehensive new insights into the chemical analysis of nuclear materials. In particular, recent advances coupling machine learning methods to the processing of atomic emission spectra have yielded novel, robust solutions for nuclear material characterization. This review paper will provide a summation of several of these recent advances and will discuss key experimental studies that have advanced the use of analytical atomic spectroscopy techniques as active tools for nuclear diagnostic measurements.

Rao, Ashwin P. (ORCID:0000000319312568)↗

SmoQyDEAC.jl: A differential evolution package for the analytic continuation of imaginary time correlation functions

We introduce the SmoQyDEAC.jl package, a Julia implementation of the Differential Evolution Analytic Continuation (DEAC) algorithm [N. S. Nichols et al., Phys. Rev. E 106, 025312 (2022)] for analytically continuing noisy imaginary time correlation functions to the real frequency axis. Our implementation supports fermionic and bosonic correlation functions on either the imaginary time or Matsubara frequency axes, and treatment of the covariance error in the input data. This paper presents an overview of the DEAC algorithm and the features implemented in the SmoQyDEAC.jl package. It also provides detailed benchmarks of the package's output against the popular maximum entropy and stochastic analytic continuation methods.

97 MATHEMATICS AND COMPUTING↗

MethodOpt: a Shiny-based graphical user interface for multivariate optimization of sampling and analytical instrumentation

Method optimization is an important step in producing useful data in various experimental settings involving the use of sampling and analytical instrumentation, such as gas-chromatography mass-spectrometry or other analytical techniques. However, traditional optimization techniques often lack the sophistication of more modern optimization techniques developed in areas of applied mathematics. A graphical user interface has been developed that implements a multivariate, multi-objective optimization technique for spectra-generating sampling and analytical instrumentation, which saves substantial time and resources compared to the more traditional approaches to method development.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Grid Operator Analytics and Assessment Tools for Inverter- Based Resources Dominated Grid (GOAAT-IBR) Project Update

This presentation provides an update on the OPTIMA GOAAT project, with emphasis on the cloud-native data platform developed in-house to ingest, manage, and operationalize high-resolution power system data. Since our last NASPI presentation, accessible via OSTI ID #2671437, the project team advanced the design and deployment of a scalable architecture capable of handling both synchronized and non-synchronized streams, including PMU, point-on-wave (POW), COMTRADE, and SCADA data. These materials review the project status, recent progress, and key lessons learned. The core of the presentation examines the architecture and engineering of our cloud-native ingestion and data management platform. We then explain how pipelines were designed to collect, normalize, time-align, store, and serve heterogeneous data at scale. We will discuss design choices such as data models, streaming versus batch ingestion, storage tiers, and interoperability with analytics applications. Practical experiences with cloud-native technologies were shared during the event, including benefits, limitations, and integration challenges in a utility environment, along with methods used to improve performance, reduce latency, and optimize resource usage. The presentation also showcases user interface designs and visualization tools that convert raw measurements and analytics results into intuitive, actionable insights for operators and engineers. During the presentation examples were provided demonstrating how visualization, event views, and summarized analytics enhance situational awareness and support operational decision-making. These use cases illustrate how a well-designed data infrastructure can bridge the gap between high-volume measurements and practical grid operations.

Aminifar, Farrokh↗

Online and Offline Analytical Techniques to Quantify Chloride Salts

This report serves as the deliverable for Milestone- M3FT-26AN080502017: Summary of Accomplishments for Online and Offline Analytical Qualification of Chloride Fuel Salts. The qualification of chloride fuel salts is a critical challenge for the development and deployment of molten salt reactors (MSRs), requiring precise control and verification of chemical and isotopic composition to ensure predictable neutronics, manageable radiological behavior, and safe plant operation. Currently, there is no universally accepted standard for fuel salt qualification, particularly for chloride-based systems, which underscores the need for robust, science-based analytical methodologies. This report presents a comprehensive evaluation of both online and offline techniques for quantifying chloride fuel salts, including multielectrode array voltammetry, differential thermal analysis (DTA) probes, inert gas fusion (IGF) analyzers, and gamma spectrometry using the Mirion NAIS-2x2 NaI(Tl) detector. The integration of these methods enables real-time monitoring of actinide concentrations, redox state, and thermophysical properties, as well as high-precision measurement of impurities and isotopic composition. The acquisition of advanced instruments such as the Bruker Leonardo G6 for IGF and the Mirion NaI detector enhances analytical capabilities, supporting the establishment of operational envelopes and impurity thresholds. These approaches provide essential data for neutronic impact evaluation, feedstock documentation, and compliance with nuclear safety standards. The methodologies developed and validated in this report lay the groundwork for future standardized protocols, bridging the gap between laboratory research and commercial reactor operation, and advancing the safe and efficient deployment of chloride-fueled MSRs.

Polke, Amber↗

Tailoring Fibre Structure Enabled by X-ray Analytics for Targeted Biomedical Applications

The rising interest in designing fibres via spinning techniques combining the properties of various polymeric materials into advanced functionalised materials is directed towards targeted biomedical applications such as drug delivery, wearable sensors or tissue engineering. Understanding how these functional polymers exhibit multiscale structures ranging from the molecular level to nano-, micro-and millimetre scale is a key prerequisite for their challenging applications that can be addressed by a non-destructive X-ray based analytical approach. X-ray multimodalities combining X-ray imaging, scattering and diffraction allow the study of morphology, molecular structure, and the analysis of nano-domain size and shape, crystallinity and preferential orientation in 3D arrangements. The incorporation of X-ray analytics in the design process of polymeric fibers via their nanostructure under non-ambient conditions (i.e. temperature, mechanical load, humidity…) allows for efficient optimization of the fabrication process as well as quality control along the product lifetime under operating environmental conditions. Here, we demonstrate the successful collaboration between the laboratory of Biomimetic Textiles and Membranes and the Center of X-ray Analytics at Empa for the design, characterisation and optimisation of advanced functionalised polymeric fibrous material systems.

60 APPLIED LIFE SCIENCES↗

Analytical Modeling of Exoplanet Transit Spectroscopy with Dimensional Analysis and Symbolic Regression

Abstract The physical characteristics and atmospheric chemical composition of newly discovered exoplanets are often inferred from their transit spectra, which are obtained from complex numerical models of radiative transfer. Alternatively, simple analytical expressions provide insightful physical intuition into the relevant atmospheric processes. The deep-learning revolution has opened the door for deriving such analytical results directly with a computer algorithm fitting to the data. As a proof of concept, we successfully demonstrate the use of symbolic regression on synthetic data for the transit radii of generic hot-Jupiter exoplanets to derive a corresponding analytical formula. As a preprocessing step, we use dimensional analysis to identify the relevant dimensionless combinations of variables and reduce the number of independent inputs, which improves the performance of the symbolic regression. The dimensional analysis also allowed us to mathematically derive and properly parameterize the most general family of degeneracies among the input atmospheric parameters that affect the characterization of an exoplanet atmosphere through transit spectroscopy.

79 ASTRONOMY AND ASTROPHYSICS↗

Validation of SERT 2 thermal analytical techniques by thermal vacuum testing of the prototype satellite

The thermal protection system for the flight configuration of the SERT 2 satellite was designed using an analytical thermal network to represent the satellite and its environment. A large part of this digital analytical network was adjusted and calibrated by comparing predicted temperatures with experimental measurements made with the prototype SERT 2 satellite in an extended thermal vacuum test. The procedures used in adjusting and calibrating the analytical network are outlined.

Smolak, G. R.↗