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At least 73 records · Page 4

TEAMER Technical Support of Ramboll's for Numerical Modeling of WECs to Support OES Task 10: Cooperative Research and Development (Final Report)

National Technology & Engineering Solutions of Sandia, LLC (NTESS) in collaboration with the National Renewable Energy Laboratory (NREL), and with guidance from Ramboll, will perform fluid dynamics simulations to support of The Ocean Energy Systems (OES) Energy Technology Collaboration Program Task 10 Wave Energy Converters (WEC) Modelling Verification and Validation effort. Specific numerical simulations include the fixed device wave impingement studies to benchmark the performance of simulation techniques against physical testing results.

16 TIDAL AND WAVE POWER

Annual Report on NCSP Technical Support task in BNL during FY25

This work reports on the investigations done during FY 25 in collaboration with one 2025 Summer undergraduate intern through the DOE SULI program. These efforts were partially funded by the Nuclear Criticality Safety Program through the Technical Support Succession Plan task. This project, developed by Matthew Molnar, aimed to apply the BNL’s machine-learning code to correct spin mis-assignments in neutron resonances, the Bayesian Resonance Reclassifier (BRR), to the odd-even nucleus 143 Nd. For this, the handling of spingroup classification had to be further investigated and improved.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS

Applied Research and Development to Support Open Water Testing at PacWave – Task 5: Development of additively manufactured, functionally graded, corrosion resistant clads for wave energy applications

In this task, we focused on developing corrosion-resistant claddings for wave energy applications. Wave energy systems are exposed to saline conditions, which are corrosive to many metallic structural materials (e.g., carbon steel). Corrosion-resistant (stainless) steels are typically alloyed with >18% chromium (Cr) and >8% nickel (Ni), which dramatically raises material costs and can hinder the development of wave energy systems; thus, coatings are a necessary corrosion protection method for most. Non-metallic coatings (paint, epoxy) have shorter service lives, limited resistance to mechanical stress and wear, plus additional costs of inspection and eventual replacement. Therefore, overlay stainless steel (SS) claddings have a cost-effective use case for protecting components from corrosion, particularly for those that may be subject to mechanical stress / wear and with long service lives.

16 TIDAL AND WAVE POWER

A reproducible study design for the MIMIC-IV in-hospital mortality task

Open, tabular electronic health record (EHR) datasets such as MIMIC-III and MIMIC-IV have become critical resources for developing machine learning (ML) models addressing clinical prediction tasks, including hospital readmission, length of stay, and in-hospital mortality (IHM). While MIMIC-III has benefited from well-established preprocessing pipelines and standardized feature sets, MIMIC-IV remains comparatively challenging to work with because there are no standardized benchmarks to support reproducibility and comparability across studies. To address this limitation, we present a rigorously curated MIMIC-IV custom feature set optimized for IHM prediction, constructed through a reproducible preprocessing pipeline and feature selection strategy.

97 MATHEMATICS AND COMPUTING

User Manual - HydraGNN v5.0: Distributed Implementation of Multi-Tasking Graph Neural Networks

This document serves as the user manual for HydraGNN v5.0, a scalable graph neural network (GNN) architecture for simultaneous prediction of multiple target properties using multi-task learning (MTL). This version of HydraGNN has been developed primarily to support the development, training, and deployment of predictive graph-based deep learning (DL) models for atomistic materials modeling. HydraGNN is templated over 13 message-passing policies, including invariant models (GIN, PNA, PNAPlus, GAT, MFC, CGCNN, SAGE, SchNet, DimeNet) and equivariant models (EGNN, PNAEq, PAINN, MACE), and supports distributed training via distributed data parallelism (DDP), DeepSpeed, and Fully Sharded Data Parallelism (FSDP) on leadership-class supercomputers. Although HydraGNN can be applied to problems beyond atomistic materials modeling, its current use is confined to homogeneous graphs. Additional capabilities include machine-learned interatomic potentials with energy-conserving forces, General, Powerful, and Scalable Graph Transformer (GraphGPS) global attention, periodic boundary conditions, hyperparameter optimization, mixed-precision training, and uncertainty quantification.

97 MATHEMATICS AND COMPUTING

ARCH Technology Snapshot Autonomous Robot Control Hierarchy (ARCH): A universal software system that removes the need to rebuild robotic software for every new platform or task

Robots are increasingly used to perform repetitive, hazardous, and time-sensitive tasks, improving safety and operational efficiency. However, most robotic systems remain difficult to adapt because they are tightly tied to specific hardware and require extensive reprogramming for each new configuration.

42 ENGINEERING

A free association semantic task for fNIRS-based perinatal depression assessment

Perinatal depression (PD) is a highly prevalent psychological disorder that has a detrimental effect on infant and maternal physical and mental health, but effective and objective assessment of PD is still insufficient. In recent years, the functional near-infrared spectroscopy (fNIRS) has been acknowledged as an effective non-invasive tool for clinical assessment of depression. This study proposed a free association semantic task (FAST) paradigm for fNIRS-based assessment of PD. To better address the emotion characteristics of PD, the participants are required to generate a dynamic concept chain based on positive, negative or neutral seed words, while 48-channel fNIRS recordings over frontal and bilateral temporal regions. Results from twenty-two late-pregnant women revealed that, the oxyhemoglobin (oxy-Hb) changes during the FAST with the positive and negative seed words over the frontal region were correlated with PD severity, which was different from the correlation patterns in the FAST with neutral seed word and the classical verbal fluency test (VFT). Furthermore, distinct correlation patterns were also observed in the FAST with the positive and negative seed words, manifested in fNIRS channels corresponding to the right dorsolateral prefrontal cortex (DLPFC) and right inferior frontal gyrus (IFG), respectively. Moreover, regression analyses showed that the FAST with positive and negative seed words can well explain the severity of PD. Our findings suggest the proposed FAST paradigm as a promising approach for PD assessment.

Chen, Danni

Task-specific sensor optical designs

A method and system architecture for designing a compressive sensing matrix for machine learning includes receiving an image associated with a classification task and; generating a sensing matrix. The sensing matrix includes an array of nonzero elements of the image. A prism array of prism elements is in communication with the sensing matrix. A row of values corresponding with an input angle of the prism array is mapped to a respective column corresponding with a detector. Then the detector detects light refracted at an output angle dictated by the physical shape of the prism element. A physical model of the detector is fabricated and generates a compressed representation of the image. A machine learning classification algorithm is applied to the compressed representation of the image and generates an optimized non-invertible final determination of the image.

Birch, Gabriel Carlisle

Asynchronous-many-task systems: Challenges and opportunities - Scaling an AMR astrophysics code on exascale machines using Kokkos and HPX

Dynamic and adaptive mesh refinement is pivotal in high-resolution, multi-physics, multi-model simulations, necessitating precise physics resolution in localized areas across expansive domains. Today’s supercomputers’ extreme heterogeneity presents a significant challenge for dynamically adaptive codes, highlighting the importance of achieving performance portability at scale. Our research focuses on astrophysical simulations, particularly stellar mergers, to elucidate early universe dynamics. Here, we present Octo-Tiger, leveraging Kokkos, HPX, and SIMD for portable performance at scale in complex, massively parallel adaptive multi-physics simulations. Octo-Tiger supports diverse processors, accelerators, and network backends. Experiments demonstrate exceptional scalability across several heterogeneous supercomputers including Perlmutter, Frontier, and Fugaku, encompassing major GPU architectures and x86, ARM, and RISC-V CPUs. Parallel efficiency of 47.59% (110,080 cores and 6880 hybrid A100 GPUs) on a full-system run on Perlmutter (26% HPCG peak performance) and 51.37% (using 32,768 cores and 2048 MI250X) on Frontier are achieved.

97 MATHEMATICS AND COMPUTING

Análisis de Tareas del Inspector de Control de Calidad [Quality Control Inspector Job Task Analysis (Spanish Translation)]

El Laboratorio Nacional de Energía Renovable (NREL) ha sido contratado por el Programa de Asistencia para la Climatización (WAP) del Departamento de Energía de EE.UU. (DOE) para desarrollar y mantener los recursos en el marco del proyecto de Directrices para Profesionales de la Energía Doméstica (GHEP). El objetivo del proyecto GHEP es aumentar la calidad del trabajo realizado para la remodelación energética residencial en Estados Unidos a través de WAP y otros programas de remodelación residencial. Para cumplir el objetivo de “Establecer certificaciones nacionales de la mano de obra y normas de formación”, el DOE encargó al NREL el desarrollo de recursos GHEP, incluido un conjunto de certificaciones avanzadas, basadas en aptitud, para el personal de los profesionales de la energía doméstica (HEP). Desde 2010, el NREL ha reclutado voluntarios expertos en la materia de WAP y de la industria del mantenimiento del hogar para que formen parte de comités que desarrollen y actualicen programas de certificación y sus análisis de tareas (JTA) necesarios como base de programas de certificación y formación estandarizados. Las certificaciones HEP apoyan al WAP y al sector del mantenimiento de viviendas residenciales en general mediante el proceso de acreditación y el desarrollo de JTA definidos para auditores energéticos (EA) e inspectores de control de calidad (QCI). Este informe es un resumen de las actualizaciones más recientes (2022) del JTA del QCI. [The National Renewable Energy Laboratory (NREL) is contracted by the U.S. Department of Energy (DOE) Weatherization Assistance Program (WAP) to develop and maintain the resources under the Guidelines for Home Energy Professionals (GHEP) project. The purpose of the GHEP project is to increase the quality of work conducted for residential energy retrofits in the United States through the WAP network and other residential retrofit programs. This is the Spanish translation of NREL/TP-7A40-85789.]

29 ENERGY PLANNING, POLICY, AND ECONOMY

Análisis de Tareas del Auditor Energético [Energy Auditor Job Task Analysis (Spanish Translation)]

El Laboratorio Nacional de Energía Renovable (NREL), bajo el contrato con el Programa de Asistencia para la Climatización (WAP) del Departamento de Energía de EE.UU. (DOE), desarrolla y mantiene los recursos en el marco del proyecto Directrices para Profesionales de la Energía Doméstica (GHEP). El objetivo del proyecto GHEP es aumentar la calidad del trabajo de remodelación energética residencial realizado por WAP y otros programas de remodelación residencial en Estados Unidos. Para cumplir el objetivo de “Establecer certificaciones nacionales de la mano de obra y normas de formación”, el DOE encargó al NREL el desarrollo de recursos GHEP, incluido un conjunto de certificaciones avanzadas, basadas en aptitud, para el personal de los profesionales de la energía doméstica (HEP). Desde 2010, el NREL ha reclutado voluntarios expertos en la materia de WAP y de la industria del mantenimiento del hogar para que formen parte de comités que desarrollen y actualicen programas de certificación y sus análisis de tareas (JTA) necesarios como base de programas de certificación y formación estandarizados. Las certificaciones HEP apoyan al WAP y al sector del mantenimiento de viviendas residenciales en general mediante el proceso de acreditación y el desarrollo de JTA definidos para auditores energéticos (EA) e inspectores de control de calidad (QCI). Este informe es un resumen de las actualizaciones más recientes (2022) del JTA del EA. [The National Renewable Energy Laboratory (NREL) is contracted by the U.S. Department of Energy (DOE) Weatherization Assistance Program (WAP) to develop and maintain the resources under the Guidelines for Home Energy Professionals (GHEP) project. The purpose of the GHEP project is to increase the quality of work conducted for residential energy retrofits in the United States through the WAP network and other residential retrofit programs. This is the Spanish translation of NREL/TP-7A40-85300.]

29 ENERGY PLANNING, POLICY, AND ECONOMY

Priority-BF: A Task Manager for Priority-Based Scheduling

The increasing demand for computational resources, particularly in High-Performance Computing environments, necessitates to rethink how we handle job scheduling strategies. This work addresses the challenge of managing concurrent jobs with differing priorities on overloaded parallel systems, where strict QoS constraints are often difficult for users to define. Our solution relies on a qualitative description of priorities and pulls from two key approaches: the Easy-BF algorithm and the Conservative Backfilling algorithms. This solution improves the response time for high-priority jobs by 50% without affecting the overall system utilization. We show its applicability in several critical scenarios such as High-Performance Computing (HPC) resource management and in-situ computing.

Gainaru, Ana [ORNL]

Accurate and uncertainty-aware multi-task prediction of HEA properties using prior-guided deep Gaussian processes

Surrogate modeling techniques have become indispensable in accelerating the discovery and optimization of high-entropy alloys (HEAs), especially when integrating computational predictions with sparse experimental observations. This study systematically evaluates the training and testing performance of four prominent surrogate models—conventional Gaussian processes (cGP), Deep Gaussian processes (DGP), encoder-decoder neural networks for multi-output regression and eXtreme Gradient Boosting (XGBoost)—applied to a hybrid dataset of experimental and computational properties of the 8-component HEA system Al-Co-Cr-Cu-Fe-Mn-Ni-V. We specifically assess their capabilities in predicting correlated material properties, including yield strength, hardness, modulus, ultimate tensile strength, elongation, and average hardness under dynamic/quasi-static conditions, alongside auxiliary computational properties. The comparison highlights the strengths of hierarchical deep modeling approaches in handling heteroscedastic, heterotopic, and incomplete data commonly encountered in materials science. Our findings illustrate that combined surrogate models such as DGPs infused with machine-learned priors outperform other surrogates by effectively capturing inter-property correlations and by assimilating prior knowledge. This enhanced predictive accuracy positions the combined surrogate models as powerful tools for robust and data-efficient materials design.

36 MATERIALS SCIENCE

Decision Making Under Uncertainty Human Subjects Data - Fire Evacuation Task

This dataset contains de-identified data from human subjects experiments, along with the images and code that were used to run the experiments (as a crowdsourced online study). In this study, participants were shown the probability of a house being in the burn zone of a wildfire. They were asked if they would stay in the house or evacuate in that scenario. The probability information was presented in different ways, including text and maps. The studies tested the impact of different visual cues on the participants' patterns of decisions.

Matzen, Laura E. [Sandia National Laboratories (SN