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At least 1,297 records · Page 72

All sources NASA NTRS DOE OSTI

DOE OSTI2017

HEP Analysis Ecosystem Workshop Report

Over the past 20 years the HEP community has developed and gravitated around an analysis ecosystem centered on ROOT. ROOT and its ecosystem both dominate HEP analysis and impact the full event processing chain, providing foundation libraries, I/O services etc. that have prevalence in the field. The analysis tools landscape is however evolving in ways that can have a durable impact on the analysis ecosystem and a strong influence on the analysis and core software landscape a decade from now, a timescale currently in an intensive planning round with the HEP Software Foundation(HSF) Community White Paper process. Data intensive analysis is growing in importance in other sciences and in the wider world. Powerful tools and new development initiatives, both within our field and in the wider open source community, have emerged. Creative developers have an ever more powerful open source toolkit available and are applying it towards innovations that leverage both open source and the ROOT ecosystem. ROOT itself is approaching a major re-engineering with ROOT 7, leveraging the powerful evolution of C++, with a major overhaul in its interfaces as seen both by its users and by satellite tools in the ROOT ecosystem.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2013

JLIFE: THE JEFFERSON LAB INTERACTIVE FRONT END FOR THE OPTICAL PROPAGATION CODE

We present details on a graphical interface for the open source software program Optical Propagation Code, or OPC. This interface, written in Java, allows a user with no knowledge of OPC to create an optical system, with lenses, mirrors, apertures, etc. and the appropriate drifts between them. The Java code creates the appropriate Perl script that serves as the input for OPC. The mode profile is then output at each optical element. The display can be either an intensity profile along the x axis, or as an isometric 3D plot which can be tilted and rotated. These profiles can be saved. Examples of the input and output will be presented.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2015

Personalized professional content recommendation

A personalized content recommendation system includes a client interface configured to automatically monitor a user's information data stream transmitted on the Internet. A hybrid contextual behavioral and collaborative personal interest inference engine resident to a non-transient media generates automatic predictions about the interests of individual users of the system. A database server retains the user's personal interest profile based on a plurality of monitored information. The system also includes a server programmed to filter items in an incoming information stream with the personal interest profile and is further programmed to identify only those items of the incoming information stream that substantially match the personal interest profile.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

DOE OSTI2022

Automated Mobility Platforms (AMPs) for Versatile, Energy Efficient, Facility and District Scale Transport

The Automated Mobility Platforms (AMPs) concept is envisioned as an on-demand network of automated lightweight electric vehicles serving mobility needs in a large facility or district-scale setting. Supplanting the function of legacy automated people mover systems, AMPs is scalable to meet the needs of moving people in large interior spaces with destinations that are too distant for walking and in which larger motor vehicles would be unfeasible or undesirable. The AMPs system is designed for automated management and operation, extending to how and where the vehicles are sent to serve mobility needs, as organized through a supervisory management system. AMPs vehicles are requested by users via smartphone app or buttons located on interactive infrastructure elements. AMPs vehicles function similarly to elevators, though in the horizontal plane, wherein users summon vehicles, and are moved point-to-point, with user requested destinations set through intuitive interfaces. The concept targets extensibility, manageability, and performance improvements over legacy technologies, with accessibility and safety features integrally designed into the system.

ADA supportive modes↗

DOE OSTI2018

Remote Aerial Inspection Vehicle Design and Evaluation - 18428

This work details the system integration of an aerial vehicle with advanced capabilities for precise inspection in confined, unstructured environments. High levels of uncertainty and varying environmental conditions are significant challenges that degrade the performance of robot subsystems, including state estimation and navigation. The methods presented in this paper outline three methodologies to minimize uncertainty and maintain fast, safe navigation in cluttered, enclosed environments: (i) a state estimation framework that performs sensor fusion of laser odometry and localization using an Unscented Kalman Filter (ii) Robust Experience-driven Predictive Control, an adaptive control strategy to bound state uncertainty and guarantee safety in the presence of model perturbations (iii) an adaptive teleoperation scheme to generate smooth control inputs and infer user intent for an enhanced teleoperation interface. These methodologies are evaluated individually and implemented on a micro-aerial vehicle for testing with varying levels of noise and state uncertainty representing the conditions within the target domain. (authors)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2016

Dakota Uncertainty Quantification Methods Applied to the CFD code Nek5000

Predictive modeling and simulation of the performance of a nuclear reactor and its fuel is a challenging task because of the large number of coupled physical phenomena that must be addressed. In addition to this intrinsic complexity, model uncertainty must be accounted for in any analysis if the model will be used to facilitate design or operational decisions which may impact safety and performance. Rigorous, structured uncertainty analyses are performed by first characterizing the model's input uncertainties and, by propagating the uncertainty through the model in order to estimate the output's uncertainty. This paper presents the state of advancement of the Nuclear Energy Advanced Modeling and Simulation (NEAMS) project to characterize the uncertainty of the CFD code Nek5000 using the Dakota package. Nek5000 is a high order spectral element computational fluid dynamics (CFD) code developed at Argonne National Laboratory for high resolution spectral-filtered large eddy simulations (LESs) and unsteady Reynolds averaged Navier-Stokes (RANS) simulations. The Dakota package developed at Sandia National Laboratory can be integrated with many scientific and engineering codes to facilitate efficient, effective uncertainty quantification (UQ) and sensitivity analyses. Dakota is designed to interface with external packages/codes such as Nek5000 through a script-driven interface called fork. Such interface provides maximum flexibility to the users for pre- and post-processing tasks preceding and following each function evaluation. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

User Manual for the Thermal Hydraulic Code SE2RCT

SE2-ANL is a modified version of SUPERENERGY-2 which interfaces the power distribution in the ANL maintained physics codes for the user. SE2RCT is a special version of SE2-ANL developed for specific use on models of the Experimental Breeder Reactor-II (EBR-II). SE2RCT fulfills a specific role in the calculated results as part of the Fuels Irradiation and Physics Database (FIPD) and is built to connect with the Physics and Analysis DataBase (PADB) for metallic fuel research and development in advanced sodium-cooled fast reactors (SFRs) created for EBR-II. SE2RCT is primarily a thermal analysis code that interfaces with the RCT based pin power details instead of the built-in pin power dehomogenization strategy in SE2-ANL. Beyond the thermal hydraulic calculation, the SE2RCT code provides detailed axial distributions of the RCT calculated results. SE2RCT also calculates the the axial distribution of pin wise DPA for the cladding materials which is part of the FIPD calculated results. This report serves as the user manual for SE2RCT and thus eliminates the QA gap of missing documentation on the SE2RCT software. All of the features and limitations of SE2RCT are documented in this report. The input and output specifications of SE2RCT are discussed in detail, and some unique features of SE2RCT, e.g. accurate pin power and temperature results for problems with non-uniform composition within an assembly, are also demonstrated and tested.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2024

Foldy: An open-source web application for interactive protein structure analysis

Foldy is a cloud-based application that allows non-computational biologists to easily utilize advanced AI-based structural biology tools, including AlphaFold and DiffDock. With many deployment options, it can be employed by individuals, labs, universities, and companies in the cloud without requiring hardware resources, but it can also be configured to utilize locally available computers. Foldy enables scientists to predict the structure of proteins and complexes up to 6000 amino acids with AlphaFold, visualize Pfam annotations, and dock ligands with AutoDock Vina and DiffDock. In our manuscript, we detail Foldy’s interface design, deployment strategies, and optimization for various user scenarios. We demonstrate its application through case studies including rational enzyme design and analyzing proteins with domains of unknown function. Furthermore, we compare Foldy’s interface and management capabilities with other open and closed source tools in the field, illustrating its practicality in managing complex data and computation tasks. Our manuscript underlines the benefits of Foldy as a day-to-day tool for life science researchers, and shows how Foldy can make modern tools more accessible and efficient.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2015

Implementation of EPICS based vacuum control system for variable energy cyclotron centre, Kolkata

The vacuum system of the Room Temperature (K = 130) Cyclotron of Variable Energy Cyclotron Centre is comprised of vacuum systems of main machine and Beam Transport System. The vacuum control system is upgraded to a PLC based Automated system from the initial relay based Manual system. The supervisory control of the vacuum system is implemented in Experimental Physics and Industrial Control System (EPICS). An EPICS embedded ARM based vacuum gauge controller is developed to mitigate the requirement of vendor specific gauge controller for gauges and also for seamless integration of the gauge controllers with the control system. A set of MS-Windows ActiveX components with embedded EPICS Channel Access interface are developed to build operator interfaces with less complex programming and to incorporate typical Windows feature, e.g., user authentication, file handling, better fonts, colors, mouse actions etc. into the operator interfaces. The control parameters, monitoring parameters, and system interlocks of the system are archived in MySQL based EPICS MySQL Archiver developed indigenously. In this paper, we describe the architecture, the implementation details, and the performance of the system.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2015

Metis Hub: The Development of an Intuitive Project Planning System

The goal is to develop an intuitive, dynamic, and consistent interface for the Metis Planning System by combining user requirements and human engineering concepts. The system is largely based upon existing systems so some tools already have working models that we can follow. However, the web-based interface is completely new.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Q-VR: System-Level Design for Future Mobile Collaborative Virtual Reality

High Quality Mobile Virtual Reality (VR) is what the incoming graphics technology era demands: users around the world, regardless of their hardware and network conditions, can all enjoy the immersive virtual experience. However, the state-of-the-art software-based mobile VR designs cannot fully satisfy the realtime performance requirements due to the highly interactive nature of user's actions and complex environmental constraints during VR execution. Inspired by the unique human visual system effects and the strong correlation between VR motion features and realtime hardware-level information, we propose Q-VR, a novel dynamic collaborative rendering solution via software-hardware co-design for enabling future low-latency high-quality mobile VR. At software-level, Q-VR provides flexible high-level tuning interface to reduce network latency while maintaining user perception. At hardware-level, Q-VR accommodates a wide spectrum of hardware and network conditions across users by effectively leveraging the computing capability of the increasingly powerful VR hardware. Extensive evaluation on real-world games demonstrates that Q-VR can achieve an average end-to-end performance speedup of 3.4x (up to 6.7x) over the traditional local rendering design in commercial VR devices, and a 4.1x frame rate improvement over the state-of-the-art static collaborative rendering.

Xie, Chenhao↗

DOE OSTI2020

UMLS users and uses: a current overview

Abstract The US National Library of Medicine regularly collects summary data on direct use of Unified Medical Language System (UMLS) resources. The summary data sources include UMLS user registration data, required annual reports submitted by registered users, and statistics on downloads and application programming interface calls. In 2019, the National Library of Medicine analyzed the summary data on 2018 UMLS use. The library also conducted a scoping review of the literature to provide additional intelligence about the research uses of UMLS as input to a planned 2020 review of UMLS production methods and priorities. 5043 direct users of UMLS data and tools downloaded 4402 copies of the UMLS resources and issued 66 130 951 UMLS application programming interface requests in 2018. The annual reports and the scoping review results agree that the primary UMLS uses are to process and interpret text and facilitate mapping or linking between terminologies. These uses align with the original stated purpose of the UMLS.

Amos, Liz↗

DOE OSTI2021

eQuilibrator 3.0: a database solution for thermodynamic constant estimation

Abstract eQuilibrator (equilibrator.weizmann.ac.il) is a database of biochemical equilibrium constants and Gibbs free energies, originally designed as a web-based interface. While the website now counts around 1,000 distinct monthly users, its design could not accommodate larger compound databases and it lacked a scalable Application Programming Interface (API) for integration into other tools developed by the systems biology community. Here, we report on the recent updates to the database as well as the addition of a new Python-based interface to eQuilibrator that adds many new features such as a 100-fold larger compound database, the ability to add novel compounds, improvements in speed and memory use, and correction for Mg2+ ion concentrations. Moreover, the new interface can compute the covariance matrix of the uncertainty between estimates, for which we show the advantages and describe the application in metabolic modelling. We foresee that these improvements will make thermodynamic modelling more accessible and facilitate the integration of eQuilibrator into other software platforms.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Datum: A Scientific Metadata Catalog

The data catalog market is currently flooded with a myriad of different products, but none serve the scientific community well. There are cloud-native tools like Databricks, Snowflake,to on-premise solutions like Collibra and Datahub. The common failing of all these tools however, is their inability to serve the scientific data community directly. Most catalogs are targeted towards financial, health, or user data - not sensor or scientific domain data. They also prioritize integrations that often don’t exist or are just starting to be used in the scientific realm - all while ignoring common scientific tools and file types. Datum is a catalog which targets the scientific data directly, including the tools and networks in which those tools are used. We work with the producers and consumers of the data where they are, targeting cloud and on-premise with a focus on classified networks. Datum is an Erlang/Elixir application. Technical Features Note: The features listed below are still under development and may change, slightly, upon final delivery of the product. File Formats - Datum has the ability to read additional metadata and provides processing pipelines for the following file formats: Plain Text, PDF, LaTeX, HTML, Open Document Format (.odt), XML, CSV/TSV (and other standard delimiters), OpenDocument Database and Spreadsheets, Geo-Referenced TIFF, Common Data Format, HDF/HDF5, LabView TDMS, Excel, DeltaTables, Parquet, Apache Iceberg, Apache Hudi and many others. Metadata Collection - Scanners for the local and networked file systems and cloud storage providers. Network integration with common databases such as MSSQL and MySQL. User Plugin System - Users are able to provide either file processing, metadata extraction, or sampling plugins in the programming language of their choice. Authentication/Authorization -: OIDC integration, SCIM provisioning and EntraID integration out of the box. Full user and group management system with a “least privilege” operating mode. Governance - Customizable data governance platform; dictate and enforce required metadata, enforce data embargos, and enforce user agreements and NDAs before data access. Ability to create health checks on data, rejecting abandoned or poorly curated data and automatically removing it from the search index. Ability for users to submit corrections. Search - Semantic search is a first class citizen. No licenses to expensive, external software required. Integrated use of vectors and vector-based search allows for AI agent integration at all levels of operation. Metadata Model - Display and control data’s lineage and connections to other data and data directories. Data is modeled after a filesystem - an organization instantly recognizable and navigable by most any user. CLI and SDK - Ships with a Command Line Interface (CLI) tool and with a fully-featured Python SDK. This allows for rapid and programmatic use of Datum by every level of user. Minimal Infrastructure - Datum ships as a single executable file and can be run on any operating system and most CPU architectures. Datum has no reliance on external databases, search indexing tools, or other outside services - and it runs equally well on edge computing devices, cloud services, or in a clustered HPC environment.

darrington, john↗

DOE OSTI2025

sourcePy

Pollutant source identification techniques (of which there are many variations) are either locked behind researchers writing their own code for each use case or GUI platforms that are easy to use but inflexible and opaque. The Python package sourcePy brings together many of the pollutant source identification algorithms, giving the user full control out of the box. It aims to create a platform for source identification experiments where the full analysis from beginning to end can be done in Python, with a level of specificity in design that isn't available in the GUI options. sourcePy provides users with a few key features: -A Python interface with HYSPLIT, which can be used to generate trajectories and concentration plumes -Several Python classes which standardize the preparation and processing of data related to source identification experiments -Example scripts and notebooks that allow even new python users to get started with their own experiments quickly -Visualization methods

Arseneau, Isaac [Oak Ridge National Laboratory (OR↗

DOE OSTI2022

Adaptive Determination of the Optimal Exchange Location in Wall-Modeled Large-Eddy Simulation

Wall-modeled large-eddy simulation introduces a modeling interface (or exchange location) separating the wall-modeled layer from the rest of the domain. The current state-of-the-art is to rely on user expertise when choosing where to place this modeling interface, whether this choice is tied to the grid or not. This paper presents a postprocessing algorithm that determines the exchange location systematically. The algorithm is based on a model for the error in the predicted wall shear stress and a model for the computational cost, and then finds the exchange location that minimizes a combination of the two. Here, the algorithm is tested both a priori and a posteriori using an equilibrium wall model for the flow over a wall-mounted hump, a boundary layer in an adverse pressure gradient, and a shock/boundary-layer interaction. The algorithm produces exchange locations that mostly agree with what an experienced user would suggest, with thinner wall-modeled layers in nonequilibrium flow regions and thicker wall-modeled layers where the boundary layer is closer to equilibrium. This suggests that the algorithm should be useful in simulations of realistic and highly complex geometries.

42 ENGINEERING↗

DOE OSTI2015

An Evaluation of OpenSHMEM Interfaces for the Variable-Length Alltoallv() Collective Operation, In: OpenSHMEM and Related Technologies. Experiences, Implementations, and Technologies

Alltoallv() is a collective operation which allows all processes to exchange variable amounts of data with all other processes in the communication group. This means that Alltoallv() requires not only O(N2) communications, but typically also additional exchanges of the data lengths that will be transmitted in the eventual Alltoallv() call. This pre-exchange is used to calculate the proper offsets for the receiving buffers on the target processes. However, we propose two new candidate interfaces for Alltoallv() that would mitigate the need for the user to set up this extra exchange of information at the possible cost of memory efficiency. We explain the new interface variants and show how a single call can be used in place of the traditional Alltoall()/ Alltoallv() pair. We then discuss the performance tradeoffs for overall communication and memory costs, as well as both software and hardware-based optimizations and their applicability to the various proposed interfaces.

Computer Science↗

DOE OSTI2015

An Evaluation of OpenSHMEM Interfaces for the Variable-length Alltoallv() Collective Operation

Alltoallv() is a collective operation which allows all pro- cesses to exchange variable amounts of data with all other processes in the communication group. This means that Alltoallv() requires not only O(N2) communications, but typically also additional exchanges of the data lengths that will be transmitted in the eventual Alltoallv() call. This pre-exchange is used to calculate the proper offsets for the re- ceiving buffers on the target processes. However, we propose two new can- didate interfaces for Alltoallv() that would mitigate the need for the user to set up this extra exchange of information at the possible cost of memory efficiency. We explain the new interface variants and show how a single call can be used in place of the traditional Alltoall()/Alltoallv() pair. We then discuss the performance tradeoffs for overall communica- tion and memory costs, as well as both software and hardware-based optimizations and their applicability to the various proposed interfaces.

Lopez, Matthew Graham↗