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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

GRUMDN: A Multi-Task Model for Predicting Human Patterns-of-Life from Stay Transition Data

Understanding human patterns-of-life (PoL) is essential towards ensuring safe and secure indoor facility environment as well as outdoor urban environment. Prediction of human movement in between places of interest is vital in understanding human PoL. Movement between spaces maybe represented and detected in one of the two forms: 1) trajectories: locations measured at regular time intervals by mobile sensors, bluetooth or GPS sensors; or 2) stay transitions: semantic PoI (points of interest) and stay duration data measurable by eventbased sensors that collect data when a check-in or check-out event is detected. Stay transition data provides a more compressed data format compared to trajectories data, especially in situations with longer stay durations, while preserving the information necessary for PoL analysis. Now as introduced briefly in the paper, our deployed end application (Digital Twin of a facility with non-player characters, besides the interactive user in virtual reality) needed a well-performing and validated AI/ML model for simulating high quality stay transitions behavior. In this study we thus primarily present our findings with developing and validating that model, which is a multi-task neural network for stay transition prediction. The neural network consists of two heads, for corresponding two tasks of stay category prediction and stay duration prediction. We evaluated gated recurrent units and multi-layer perceptrons of varying network sizes for stay category prediction; while mixture density networks, noisy generator-only networks, and generative adversarial networks of varying network sizes for stay duration prediction. We have then evaluated four multi-task models, constructed by combining these specialized models, on their ability to predict stay transition data. We tested our models on datasets from two different cases: 1) a simulation-generated dataset of indoor movement within the HFIR (high flux isotope reactor) nuclear reactor facility at Oak Ridge National Laboratory (ORNL); and 2) the GeoLife human mobility dataset of outdoor urban movement available in literature. Our results indicate that GRUMDN, which combines gated recurrent units (GRU) for stay category prediction task, and mixture density networks (MDN) for stay duration prediction task, did overall outperform other multitask models and the current state-of-the-art.

Gunaratne, Chathika [ORNL] (ORCID:0000000225088745↗
DOE OSTI2014

Model-based CT performance assessment and optimization for iodinated and noniodinated imaging tasks as a function of kVp and body size

Purpose: The goal of this study was to assess the comparative performance of iterative reconstruction in space (IRIS) and filtered back projection (FBP) reconstruction algorithms in terms of image quality and dose across kVps and phantom sizes. Methods: The ACR CT phantom (model 464) was supplemented with the addition of an iodinated spherical capsule (1.5 mm diameter, 3.4 mg iodine per ml) to simulate the contrast filled structures and with an additional circular attachment consisting of an array of 500 um brass beads for spatial resolution measurements. A larger sized phantom was also created by wrapping the original phantom with additional tissue equivalent material of 4 cm thickness. The phantoms were imaged on a 64 detector array multidetector computed tomography scanner (Somatom Definition, Siemens, Germany) using clinically applicable protocols (0.5 s rotation time; 80, 100, 120, and 140 kVp; 64 to 640 mA; 220 to 250 mm field of view). Images were reconstructed using the FBP and the IRIS algorithms. Combining measurements of image noise and spatial resolution with a task function, a figure of merit (FOM) for image quality was generated taking into account the type of visualization required from the image for the detection of either large or small image features with and without iodine content. The FOM was further reported in terms of area under the receiver operating characteristic (ROC) curve (A{sub Z}) to predict the comparative diagnostic performance of the two algorithms at different dose levels. Results: For a given dose level, the predicted A{sub Z} for IRIS consistently outperformed that of FBP. At comparative A{sub Z}, depending on protocol and task, the dose requirement for the optimal technique (optimized kVp with IRIS) was 2-3 times lower than that for standard technique (120 kVp with FBP). The potential for dose reduction was found to be higher when performing small feature detection tasks in comparison to larger feature detection tasks. The optimal kVp was from 80 to 100 kVp for the small phantom, 100 to 120 kVp for the larger phantom. Conclusions: Overall, greater dose reduction may be achieved with IRIS compared to FBP, with enhanced advantage at thinner slice reconstructions. The results highlight how IRIS may offer a superior balance between image quality and dose across a range of imaging tasks, thus enabling dose reduction at constant quality or image quality improvement at constant dose. The prediction of the investigation can be used toward effective design of subsequent clinical studies.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

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↗
DOE OSTI2013

Task mapping for non-contiguous allocations.

This paper examines task mapping algorithms for non-contiguously allocated parallel jobs. Several studies have shown that task placement affects job running time for both contiguously and non-contiguously allocated jobs. Traditionally, work on task mapping either uses a very general model where the job has an arbitrary communication pattern or assumes that jobs are allocated contiguously, making them completely isolated from each other. A middle ground between these two cases is the mapping problem for non-contiguous jobs having a specific communication pattern. We propose several task mapping algorithms for jobs with a stencil communication pattern and evaluate them using experiments and simulations. Our strategies improve the running time of a MiniApp by as much as 30% over a baseline strategy. Furthermore, this improvement increases markedly with the job size, demonstrating the importance of task mapping as systems grow toward exascale.

Leung, Vitus Joseph↗
DOE OSTI2018

Aluminum Clad Spent Nuclear Fuel Task 3: Sealed and Vented Systems Episodic Breathing and Gas Generation Modeling Plan

This document presents the test plan for Task 3 of the Aluminum Clad Spent Nuclear Fuel Long Term Dry Storage Technical Issues Action Plan, which covers modeling and predictions of the generations of corrosive gases within both sealed and vented, subject to episodic breathing, storage systems. This includes aluminum clad spent nuclear fuel (ASNF) that is currently or may in the future be held in dry storage for an extended period. The overall objectives of the Task 3 modeling plan are to: 1. Comprehensively model the combined effects of episodic breathing in vented storage systems/canisters using INL INTEC CPP-603 facility as an example. Both bulk gas phase radiolysis reactions and aluminum cladding surface gas generation reactions will be included into a 3-dimensional computational fluid dynamics (CFD) model to model and predict long-term evolutions of the temperature and concentrations of corrosive gases within unsealed canisters subjected to episodic breathing. 2. Comprehensively model sealed and inert canister storage system using DOE standard canister as an example. 3. Closely integrate with Task 1 and Task 2 for identification of main gas-generation reactions and kinetics and provide simulation results back to Task 1 and 2 to further refine experimental designs. This test plan lays out the technical activities that will be performed to achieve the test objectives described above. Simulations will be performed using the Idaho National Laboratory super computer Falcon.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2018

Aluminum Clad Spent Nuclear Fuel Task 4: Performance of Aluminum SNF in Dry Storage Experiment Test Plan

This document presents the activities to be performed in support of understanding the performance of aluminum spent nuclear fuel (ASNF) in dry storage. These activities will visually examine and acquire baseline samples of as-irradiated ATR fuel assembly components to determine fuel condition and the morphology of the aluminum oxyhydroxides present on the fuel external surfaces. Because the boehmite phase of oxyhydroxide is projected to be a significant contributor to radiolytic hydrogen production and general corrosion, being able to quantify its presence is of major importance to long term storage of aluminum spent nuclear fuel. Baseline samples will be taken from irradiated end adapters, removed from ATR SNF elements, stored in the ATR Canal. These will be transferred to Idaho National Laboratory (INL) Materials and Fuels Complex (MFC) to perform non-destructive and destructive testing to determine the degree of hydration of the wet-stored aluminum components prior to drying and air storage. Examination of the dry stored SNF at Idaho Nuclear Technology and Engineering Center (INTEC) in CPP-603 Irradiated Fuel Storage Facility (IFSF) will allow the opportunity to identify gross degradation and as conditions permit, sample the surface oxide on fueled and un-fueled portions of the stored assemblies. The information resulting from analysis of the ATR Canal samples will be used to support validation of surrogate samples prepared under Task 6, sample surrogate preparation, and used in Task 1, oxyhydroxide layer behavior and chemistry, Task 2, oxide layer radiolytic gas generation, and Task 5, oxide layer response to drying. Surface oxide samples collected from SNF in IFSF dry storage will SNF dry storage prediction modeling from Task 3, sealed and vented system episodic breathing and gas generation prediction.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2018

Aluminum Clad Spent Nuclear Fuel Task 6: Surrogate Sample Preparation and Validation Experiment Test Plan

This document presents the experimental test plan for Task 6: Surrogate Preparation and Validation. Task 6 will produce and validate surrogate oxyhydroxide materials used in other experimental tasks within the larger Aluminum Clad Spent Nuclear Fuel Long Term Dry Storage Project. Task 6 includes both the preparation and characterization of surrogate oxyhydroxide materials as well as the analysis of oxide/oxyhydroxide layers on Savannah River Site Spent Nuclear Fuel Materials. This test plan provides experimental design details and the task’s overall quality assurance approach.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Communication of industry knowledge, best practices, and lessons learned in the space of cellulosic biofuels plant design, project development and execution and operations. Task 1 report

ExxonMobil Research and Engineering Company, via a technical services agreement, engages Idaho National Laboratory (INL) to provide general industry knowledge, best practices, and lessons learned in cellulosic ethanol plant design, project execution, and operations. INL will also assess publicly proposed cellulosic plant designs. The scope of work will be accomplished in three tasks: Task 1, Communicate industry knowledge; Task 2, Present high-level lessons learned; Task 3, Provide an engineering assessment of publicly proposed ethanol plant designs. This Task 1 report provides a high-level summary of general industry knowledge, best practice, and lessons learned in biomass feedstock logistics and integration with bioconversion processes.

09 BIOMASS FUELS↗
DOE OSTI2022

DECOVALEX-2023 Task F Specification (Rev. 9)

This report is the revised (Revision 9) Task F specification for DECOVALEX-2023. Task F is a comparison of the models and methods used in deep geologic repository performance assessment. The task proposes to develop a reference case for a mined repository in a fractured crystalline host rock (Task F1) and a reference case for a mined repository in a salt formation (Task F2). Teams may choose to participate in the comparison for either or both reference cases. For each reference case, a common set of conceptual models and parameters describing features, events, and processes that impact performance will be given, and teams will be responsible for determining how best to implement and couple the models. The comparison will be conducted in stages, beginning with a comparison of key outputs of individual process models, followed by a comparison of a single deterministic simulation of the full reference case, and moving on to uncertainty propagation and uncertainty and sensitivity analysis. This report provides background information, a summary of the proposed reference cases, and a staged plan for the analysis.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

DECOVALEX-2023: Task F Specification (Revision 10)

This report is the revised (Revision 10) Task F specification for DECOVALEX-2023. Task F is a comparison of the models and methods used in deep geologic repository performance assessment. The task proposes to develop a reference case for a mined repository in a fractured crystalline host rock (Task F1) and a reference case for a mined repository in a salt formation (Task F2). Teams may choose to participate in the comparison for either or both reference cases. For each reference case, a common set of conceptual models and parameters describing features, events, and processes that impact performance will be given, and teams will be responsible for determining how best to implement and couple the models. The comparison will be conducted in stages, beginning with a comparison of key outputs of individual process models, followed by a comparison of a single deterministic simulation of the full reference case, and moving on to uncertainty propagation and uncertainty and sensitivity analysis. This report provides background information, a summary of the proposed reference cases, and a staged plan for the analysis.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

DECOVALEX-2023: Task A Final Report

Task A, also known as HGFrac, examines the fracturing processes that may occur in the Callovo-Oxfordian claystone (COx) in the context of the high-level (HLW) and intermediate-level long-lived (ILW-LL) radioactive waste repository in France. Understanding these processes and improving numerical models to reproduce them will aid in the design, optimization, and safety of the repository. Heat and gas fracturing are studied in two independent subtasks following a stepwise approach: laboratory tests/benchmark exercises, in-situ experiment, and finally, an application case. The in-situ heater experiment aimed to thermally induce a hydraulic fracture; temperature and pore pressure were monitored to detect any evidence of fracturing. The in-situ gas injection experiment aimed to study the effect of the stress orientation and gas injection kinetics on the gas fracturing process. The occurrence of fracturing was monitored by gas pressure measured in the injection interval. In both experiments, the excavation-induced fracture network around the heater/injection boreholes played an important role in the reduction of the compressive stress state, leading to both a tensile and shear failure response of the COx. During the first two years of the project, the research teams working on each task developed and/or proposed numerical approaches for reproducing the occurrence of fracturing in the in-situ experiments. The failure criteria were defined by reproducing the measurements from laboratory extension tests for the heat fracturing subtask. In the gas fracturing subtask, their approaches were used for simulating several benchmark exercises, and an inter-comparison between models was carried out. In both tasks, the developed approaches were compared with a simplified approach considering poro-elasticity for the mechanical behaviour of the COx. Most of the developed approaches are based on a continuous medium that takes into account variations in hydraulic properties due to mechanical degradation, such as plastic deformation or damage. Other approaches implicitly modelled weak planes or embedded discontinuities to reproduce fracture propagation. The potential for fracture initiation was also studied through of a discrete approach. In the second half of the project, the research teams mainly focused on interpretative modelling of two in-situ experiments and a blind prediction exercise to test their respective approaches. The models developed by the research teams were also applied at the repository scale to evaluate fracture initiation in a case study under vi unfavourable conditions, particularly in terms of spacing between High-Level Waste cells. The results showed that the poro-elasticity approach could be an efficient tool for understanding the main processes occurring in the COx. One example is the explicit representation of the excavation-induced fracture network around the boreholes, which yielded acceptable results compared to the measurement data. However, advanced approaches were needed to evaluate the potential increase of the excavation-induced fracture network extend and better understand fracture initiation. The stress analyses carried out by the teams revealed that hydraulic boundary conditions had a strong impact on fracture initiation in the heater experiment. Furthermore, in most cases, the results required higher pore pressure increments to reach fracturing than those measured in the experiment. This implies that the measurements may have been biased by the packer’s capacity to fully isolate the piezometric chambers, leading to lower pressures. On the contrary, there was no agreement on the fracturing mode, as some reported either shear or tensile fracturing, while others reported a combination of the two modes. In the case of gas fracturing, the research teams were limited to the comparison of a single point, which complicated their task. Nonetheless, the numerical results were able to reproduce the measurements and capture processes such as longitudinal gas flow through the excavation-induced fracture network, as suggested by some evidence in the observation piezometric chambers. The numerical models also agreed with the measurements in the sense of higher probability of developing along the injection borehole than radially towards the sound rock. The approaches developed by the research teams showed that they are capable of analysing and reproducing fracture initiation in the COx. However, areas of future work should focus on the fracture propagation and fracture aperture, which were out of the scope of this task. To this end, additional data must be gathered for the parameter characterisation and validation of the numerical models. Nonetheless, various approaches showed promising results as they were able to reproduce fracture development under certain conditions.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2015

Materials for Advanced Ultrasupercritical Steam Turbines Task 4: Cast Superalloy Development

The Steam Turbine critical stationary structural components are high integrity Large Shell and Valve Casing heavy section Castings, containing high temperature steam under high pressures. Hence to support the development of advanced materials technology for use in an AUSC steam turbine capable of operating with steam conditions of 760°C (1400°F) and 35 Mpa (5000 psia), Casting alloy selection and evaluation of mechanical, metallurgical properties and castability with robust manufacturing methods are mandated. Alloy down select from Phase 1 based on producability criteria and creep rupture properties tested by NETL-Albany and ORNL directed the consortium to investigate cast properties of Haynes 282 and Haynes 263. The goals of Task 4 in Phase 2 are to understand a broader range of mechanical properties, the impact of manufacturing variables on those properties. Scale up the size of heats to production levels to facilitate the understanding of the impact of heat and component weight, on metallurgical and mechanical behavior. GE Power & Water Materials and Processes Engineering for the Phase 2, Task 4.0 Castings work, systematically designed and executed casting material property evaluation, multiple test programs. Starting from 15 lbs. cylinder castings to world’s first 17,000 lbs. poured weight, heavy section large steam turbine partial valve Haynes 282 super alloy casting. This has demonstrated scalability of the material for steam Turbine applications. Activities under Task 4.0, Investigated and characterized various mechanical properties of Cast Haynes 282 and Cast Nimonic 263. The development stages involved were: 1) Small Cast Evaluation: 4 inch diam. Haynes 282 and Nimonic 263 Cylinders. This provided effects of liquidus super heat range and first baseline mechanical data on cast versions of conventional vacuum re-melted and forged Ni based super alloys. 2) Step block castings of 300 lbs. and 600 lbs. Haynes 282 from 2 foundry heats were evaluated which demonstrated the importance of proper heat treat cycles for Homogenization, and Solutionizing parameters selection and implementation. 3) Step blocks casting of Nimonic 263: Carried out casting solidification simulation analysis, NDT inspection methods evaluation, detailed test matrix for Chemical, Tensile, LCF, stress rupture, CVN impact, hardness and J1C Fracture toughness section sensitivity data and were reported. 4) Centrifugal Casting of Haynes 282, weighing 1400 lbs. with hybrid mold (half Graphite and half Chromite sand) mold assembly was cast using compressor casing production tooling. This test provided Mold cooling rates influence on centrifugally cast microstructure and mechanical properties. Graphite mold section out performs sand mold across all temperatures for 0.2% YS; %Elongation, %RA, UTS at 1400°F. Both Stress-LMP and conditional Fracture toughness plots data were in the scatter band of the wrought alloy. 5) Fundamental Studies on Cooling rates and SDAS test program. Evaluated the influence of 6 mold materials Silica, Chromite, Alumina, Silica with Indirect Chills, Zircon and Graphite on casting solidification cooling rates. Actual Casting cooling rates through Liquidus to Solidus phase transition were measured with 3 different locations based thermocouples placed in each mold. Compared with solidification simulation cooling rates and measurement of SDAS, microstructure features were reported. The test results provided engineered casting potential methods, applicable for heavy section Haynes 282 castings for optimal properties, with foundry process methods and tools. 6) Large casting of Haynes 282 Drawings and Engineering FEM models and supplemental requirements with applicable specifications were provided to suppliers for the steam turbine proto type feature valve casing casting. Molding, melting and casting pouring completed per approved Manufacturing Process Plan during 2014 Q4. The partial valve casing was successfully cast after casting methods were validated with solidification simulation analysis and the casting met NDT inspection and acceptance criteria. Heat treated and sectioned to extract trepan samples at different locations comparing with cast on coupons test data. Material properties requisite for design, such as tensile, creep/rupture, LCF, Fracture Toughness, Charpy V-notch chemical analysis testing were carried out. The test results will be presented in the final report. The typical Haynes 282 large size Steam Turbine production casting from Order to Delivery foundry schedule with the activity break up is shown in Figures 107 and 108. • From Purchase Order placement to Casting pouring ~ 26 weeks. 1. Sales and commercial review 3 2. Engineering Drawings/models review 4 3. Pattern and core box manufacturing 6 4. Casting process engineering review 4 5. FEM and solidification simulation analysis 4 6. Gating & Feeder Attachments, Ceramic tiling 2 7. Molding and coremaking production scheduling 6 8. Melting planning and schedule 3 9. Pouring, cooling and shake out 2 • From Pouring to casting Delivery ~ 29 weeks 10. Shot blast and riser cutting, gates removal 3 11. Homogenizing , solutionizing HT furnace prep 4 12. Grinding, Fettling 2 13. Aging HT Cycle, cooling 2 14. VT and LPT NDT inspections 2 15. Radiographic inspection 4 16. Mechanical testing, Chemical analysis test certs 4 17. Casting weld repair upgrades and Aging PWHT 4 18. NDT after weld repairs and casting upgrades 3 19. Casting Final Inspection and test certifications 3 20. Package and delivery 2 Hence the Total Lead time from P.O to Casting delivery is approximately 55 weeks. The Task 4.2 and Task 4.3 activities and reporting completed.

Thangirala, Mani↗
DOE OSTI2017

Agile Task Tracking Tool

The work was created to provide a tool for the purpose of improving the management of tasks associated with Agile projects. Agile projects are typically completed in an iterative manner with many short duration tasks being performed as part of iterations. These iterations are generally referred to as sprints. The objective of this work is to create a single tool that enables sprint teams to manage all of their tasks in multiple sprints and automatically produce all standard sprint performance charts with minimum effort. The format of the printed work is designed to mimic a standard Kanban board. The work is developed as a single Excel file with worksheets capable of managing up to five concurrent sprints and up to one hundred tasks. It also includes a summary worksheet providing performance information from all active sprints. There are many commercial project management systems typically designed with features desired by larger organizations with many resources managing multiple programs and projects. The audience for this work is the small organizations and Agile project teams desiring an inexpensive, simple, user-friendly, task management tool. This work uses standard readily available software, Excel, requiring minimum data entry and automatically creating summary charts and performance data. It is formatted to print out and resemble standard flip charts and provide the visuals associated with this type of work.

Duke, Roger T.↗
DOE OSTI2018

System, method, and computer program product for warming a cache for a task launch

A system, method, and computer program product for warming a cache for a task launch is described. The method includes the steps of receiving a task data structure that defines a processing task, extracting information stored in a cache warming field of the task data structure, and, prior to executing the processing task, generating a cache warming instruction that is configured to load one or more entries of a cache storage with data fetched from a memory.

Ricketts, Scott↗
DOE OSTI2021

Overview of the 2021 SDP 3C Citation Context Classification Shared Task

This paper provides an overview of the 2021 3C Citation Context Classification shared task. The second edition of the shared task was organised as part of the 2nd Workshop on Scholarly Document Processing (SDP 2021). The task is composed of two subtasks: classifying citations based on their (Subtask A) purpose and (Subtask B) influence. As in the previous year, both tasks were hosted on Kaggle and used a portion of the new ACT dataset. A total of 22 teams participated in Subtask A, and 19 teams competed in Subtask B. All the participated systems were ranked based on their achieved macro f-score. The highest scores of 0.26973 and 0.60025 were reported for sub-task A and B, respectively.

Kunnath, Suchetha N.↗
DOE OSTI2016

Wind power forecasting: IEA Wind Task 36 & future research issues

Here, this paper presents the new International Energy Agency Wind Task 36 on Forecasting, and invites to collaborate within the group. Wind power forecasts have been used operatively for over 20 years. Despite this fact, there are still several possibilities to improve the forecasts, both from the weather prediction side and from the usage of the forecasts. The new International Energy Agency (IEA) Task on Forecasting for Wind Energy tries to organise international collaboration, among national meteorological centres with an interest and/or large projects on wind forecast improvements (NOAA, DWD, MetOffice, met.no, DMI,...), operational forecaster and forecast users. The Task is divided in three work packages: Firstly, a collaboration on the improvement of the scientific basis for the wind predictions themselves. This includes numerical weather prediction model physics, but also widely distributed information on accessible datasets. Secondly, we will be aiming at an international pre-standard (an IEA Recommended Practice) on benchmarking and comparing wind power forecasts, including probabilistic forecasts. This WP will also organise benchmarks, in cooperation with the IEA Task WakeBench. Thirdly, we will be engaging end users aiming at dissemination of the best practice in the usage of wind power predictions. As first results, an overview of current issues for research in short-term forecasting of wind power is presented.

17 WIND ENERGY↗
DOE OSTI2022

Multi-task graph neural networks for simultaneous prediction of global and atomic properties in ferromagnetic systems *

Abstract We introduce a multi-tasking graph convolutional neural network, HydraGNN, to simultaneously predict both global and atomic physical properties and demonstrate with ferromagnetic materials. We train HydraGNN on an open-source ab initio density functional theory (DFT) dataset for iron-platinum with a fixed body centered tetragonal lattice structure and fixed volume to simultaneously predict the mixing enthalpy (a global feature of the system), the atomic charge transfer, and the atomic magnetic moment across configurations that span the entire compositional range. By taking advantage of underlying physical correlations between material properties, multi-task learning (MTL) with HydraGNN provides effective training even with modest amounts of data. Moreover, this is achieved with just one architecture instead of three, as required by single-task learning (STL). The first convolutional layers of the HydraGNN architecture are shared by all learning tasks and extract features common to all material properties. The following layers discriminate the features of the different properties, the results of which are fed to the separate heads of the final layer to produce predictions. Numerical results show that HydraGNN effectively captures the relation between the configurational entropy and the material properties over the entire compositional range. Overall, the accuracy of simultaneous MTL predictions is comparable to the accuracy of the STL predictions. In addition, the computational cost of training HydraGNN for MTL is much lower than the original DFT calculations and also lower than training separate STL models for each property.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Extracting SIMD Parallelism from Recursive Task-Parallel Programs

The pursuit of computational efficiency has led to the proliferation of throughput-oriented hardware, from GPUs to increasingly wide vector units on commodity processors and accelerators. This hardware is designed to efficiently execute data-parallel computations in a vectorized manner. However, many algorithms are more naturally expressed as divide-and-conquer, recursive, task-parallel computations. In the absence of data parallelism, it seems that such algorithms are not well suited to throughput-oriented architectures. This paper presents a set of novel code transformations that expose the data parallelism latent in recursive, task- parallel programs. These transformations facilitate straightforward vectorization of task-parallel programs on commodity hardware. We also present scheduling policies that maintain high utilization of vector resources while limiting space usage. Across several task-parallel benchmarks, we demonstrate both efficient vector resource utilization and substantial speedup on chips using Intel’s SSE4.2 vector units, as well as accelerators using Intel’s AVX512 units. We then show through rigorous sampling that, in practice, our vectorization techniques are effective for a much larger class of programs.

Recursive Programs, task parallelism, vectorizatio↗