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At least 37 records · Page 2

PYDICE

A new Python program has been created that calculates similarity metrics (E, ck), available as a web server. Users can post one or more Sensitivity Data Files (SDFs) to either calculate similarity metrics (returned as a JSON response packet) or to be converted into a different SDF format (returned as a zip file).

Holcomb, Andrew [Oak Ridge National Laboratory (OR↗

Filling gaps in bacterial catabolic pathways with computation and high-throughput genetics

To discover novel catabolic enzymes and transporters, we combined high-throughput genetic data from 29 bacteria with an automated tool to find gaps in their catabolic pathways. GapMind for carbon sources automatically annotates the uptake and catabolism of 62 compounds in bacterial and archaeal genomes. For the compounds that are utilized by the 29 bacteria, we systematically examined the gaps in GapMind’s predicted pathways, and we used the mutant fitness data to find additional genes that were involved in their utilization. We identified novel pathways or enzymes for the utilization of glucosamine, citrulline, myo-inositol, lactose, and phenylacetate, and we annotated 299 diverged enzymes and transporters. We also curated 125 proteins from published reports. For the 29 bacteria with genetic data, GapMind finds high-confidence paths for 85% of utilized carbon sources. In diverse bacteria and archaea, 38% of utilized carbon sources have high-confidence paths, which was improved from 27% by incorporating the fitness-based annotations and our curation. GapMind for carbon sources is available as a web server ( http://papers.genomics.lbl.gov/carbon ) and takes just 30 seconds for the typical genome.

59 BASIC BIOLOGICAL SCIENCES↗

Searchlight Source Code

SAND2024-01982O The Searchlight Source Code is software for creating, managing, and dismantling experiments. It also is a simple web server that mimics an online training module with scripts to automate a client. 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.

Robinson, Matthew↗

Expanded encyclopaedias of DNA elements in the human and mouse genomes

The human and mouse genomes contain instructions that specify RNAs and proteins and govern the timing, magnitude, and cellular context of their production. To better delineate these elements, phase III of the Encyclopedia of DNA Elements (ENCODE) Project has expanded analysis of the cell and tissue repertoires of RNA transcription, chromatin structure and modification, DNA methylation, chromatin looping, and occupancy by transcription factors and RNA-binding proteins. Here we summarize these efforts, which have produced 5,992 new experimental datasets, including systematic determinations across mouse fetal development. All data are available through the ENCODE data portal (https://www.encodeproject.org), including phase II ENCODE1 and Roadmap Epigenomics2 data. We have developed a registry of 926,535 human and 339,815 mouse candidate cis-regulatory elements, covering 7.9 and 3.4% of their respective genomes, by integrating selected datatypes associated with gene regulation, and constructed a web-based server (SCREEN; http://screen.encodeproject.org) to provide flexible, user-defined access to this resource. Collectively, the ENCODE data and registry provide an expansive resource for the scientific community to build a better understanding of the organization and function of the human and mouse genomes.

59 BASIC BIOLOGICAL SCIENCES↗

Striped Data Analysis Framework

A columnar data representation is known to be an efficient way for data storage, specifically in cases when the analysis is often done based only on a small fragment of the available data structures. A data representation like Apache Parquet is a step forward from a columnar representation, which splits data horizontally to allow for easy parallelization of data analysis. Based on the general idea of columnar data storage, working on the [LDRD Project], we have developed a striped data representation, which, we believe, is better suited to the needs of High Energy Physics data analysis. A traditional columnar approach allows for efficient data analysis of complex structures. While keeping all the benefits of columnar data representations, the striped mechanism goes further by enabling easy parallelization of computations without requiring special hardware. We will present an implementation and some performance characteristics of such a data representation mechanism using a distributed no-SQL database or a local file system, unified under the same API and data representation model. The representation is efficient and at the same time simple so that it allows for a common data model and APIs for wide range of underlying storage mechanisms such as distributed no-SQL databases and local file systems. Striped storage adopts Numpy arrays as its basic data representation format, which makes it easy and efficient to use in Python applications. The Striped Data Server is a web service, which allows to hide the server implementation details from the end user, easily exposes data to WAN users, and allows to utilize well known and developed data caching solutions to further increase data access efficiency. We are considering the Striped Data Server as the core of an enterprise scale data analysis platform for High Energy Physics and similar areas of data processing. We have been testing this architecture with a 2TB dataset from a CMS dark matter search and plan to expand it to multiple 100 TB or even PB scale. We will present the striped format, Striped Data Server architecture and performance test results.

Gutsche, Oliver↗

Determining magnetic structures in GSAS-II using the Bilbao Crystallographic Server tool k-SUBGROUPSMAG

The embedded call to a special version of the web-based Bilbao Crystallographic Server tool k-SUBGROUPSMAG from within GSAS-II to form a list of all possible commensurate magnetic subgroups of a parent magnetic grey group is described. It facilitates the selection and refinement of the best commensurate magnetic structure model by having all the analysis tools including Rietveld refinement in one place as part of GSAS-II. It also provides the chosen magnetic space group as one of the 1421 possible standard Belov–Neronova–Smirnova forms or equivalent non-standard versions.

36 MATERIALS SCIENCE↗

NuMaCo

The Nuclear Material and Composition (NuMaCo) server is a web-based platform for storing, managing, and serving material composition data. It includes the SCALE Standard Composition Library and the PNNL Compendium, along with their associated references and uncertainty data. NuMaCo also provides tools to generate, compare, and validate material input definitions for both SCALE and MCNP.

Skutnik, Steve (000000016441135X)↗

Implementation of a Web Interface to Display Real-Time Statistics of a Dilution Refrigerator

The purpose of the project is to communicate with a Bluefors control unit and extract data. The Bluefors control unit is a piece of experimental equipment that measures various different data points in a dilution refrigerator and stores them. The goal was to access the control unit using the websockets library in Python. After accessing the control unit, the goal was to export the data to a web page in HTML/CSS. The tools that were used changed throughout the project. Python was used to communicate with the Bluefors unit via JSON requests and JSON objects, then the Python hosted its own websocket server to act as a proxy server to allow for the web page to access the data. This was done to bypass SSL verification. Then, the web page, which was created using JavaScript, React, Next.js, and NodeJS, accesses the proxy server to import the data from the dilution refrigerator and display the values in real time on the page.

Rasheed, Hammad↗

Development of A Hardware-In-the-Loop (HIL) Testbed for Cyber-Physical Security in Smart Buildings

As smart buildings move towards open communication technologies, providing access to the Building Automation System (BAS) through the building's intranet, or even remotely through the Internet, has become a common practice. However, BAS was historically developed as a closed environment and designed with limited cyber-security considerations. Thus, smart buildings are vulnerable to cyber-attacks with the increased accessibility. This study introduces the development and capability of a Hardware-in-the-Loop (HIT) testbed for testing and evaluating the cyber-physical security of typical BASs in smart buildings. The testbed consists of three subsystems: (1) a real-time HIL emulator simulating the behavior of a virtual building as well as the Heating, Ventilation, and Air Conditioning (HVAC) equipment via a dynamic simulation in Modelica; (2) a set of real HVAC controllers monitoring the virtual building operation and providing local control signals to control HVAC equipment in the HIL emulator; and (3) a BAS server along with a web-based service for users to fully access the schedule, setpoints, trends, alarms, and other control functions of the HVAC controllers remotely through the BACnet network. The server generates rule-based setpoints to local HVAC controllers. Based on these three subsystems, the HIL testbed supports attack/fault-free and attack/fault-injection experiments at various levels of the building system. The resulting test data can be used to inform the building community and support the cyber-physical security technology transfer to the building industry.

Li, Guowen↗

The Dark Energy Survey Data Release 2

In this work, we present the second public data release of the Dark Energy Survey, DES DR2, based on optical/near-infrared imaging by the Dark Energy Camera mounted on the 4 m Blanco telescope at Cerro Tololo Inter-American Observatory in Chile. DES DR2 consists of reduced single-epoch and coadded images, a source catalog derived from coadded images, and associated data products assembled from 6 yr of DES science operations. This release includes data from the DES wide-area survey covering ~5000 deg 2 of the southern Galactic cap in five broad photometric bands, grizY. DES DR2 has a median delivered point-spread function FWHM of g = 1.11'', r = 0.95'', i = 0.88'', z = 0.83'', and Y = 0farcs90, photometric uniformity with a standard deviation of < 3 mmag with respect to Gaia DR2 G band, a photometric accuracy of ~11 mmag, and a median internal astrometric precision of ~27 mas. The median coadded catalog depth for a 1farcs95 diameter aperture at signal-to-noise ratio = 10 is g = 24.7, r = 24.4, i = 23.8, z = 23.1, and Y = 21.7 mag. DES DR2 includes ~691 million distinct astronomical objects detected in 10,169 coadded image tiles of size 0.534 deg2 produced from 76,217 single-epoch images. After a basic quality selection, benchmark galaxy and stellar samples contain 543 million and 145 million objects, respectively. These data are accessible through several interfaces, including interactive image visualization tools, web-based query clients, image cutout servers, and Jupyter notebooks. DES DR2 constitutes the largest photometric data set to date at the achieved depth and photometric precision.

79 ASTRONOMY AND ASTROPHYSICS↗

Progress in the Verification and Validation Efforts for START: A Spent Fuel Routing Tool

The U.S. Department of Energy’s (DOE) Office of Nuclear Energy (DOE-NE) is planning for an integrated waste management approach to transport, store, and dispose of spent nuclear fuel (SNF) and other high-level radioactive waste (HLW) as part of the Integrated Waste Management (IWM) program [1]. In support of this effort, the Stakeholder Tool for Assessing Radioactive Transportation (START) is being developed within the IWM program [2, 3]. This is a web-based decision support tool that can be used to analyze geospatial data related to the transportation of SNF and HLW. START is designed as a web-based application using an ArcGIS server through which the user can select the origin and destination of the route [4]. This is followed by selection of the mode of transportation of choice based on user preference. Some of the modes available to the user include rail, heavy haul truck, and barge. The option of utilizing more than one mode of transportation (intermodal transportation) is also implemented in START. A few examples of intermodal transportation include barge to rail, and heavy haul truck to rail. It must be noted that some routes might not have access to all modes of transportation, depending on the infrastructure availability at the origin and destination sites. Users can also select any stops or barriers they would like to introduce in the routes. This is followed by selection of the routing criteria of interest. Three primary routing options available to the user include minimum population, minimum distance, and minimum time. Apart from that, a few other options include accounting for a weighted average of the three aforementioned routing options. The next step involves the selection of the buffer distance of interest which includes the two choices available of 800 m and 2500 m, respectively. Finally, an option to select any prohibited rail carriers that the user does not wish to use is available. After making these selections, a route is ready to be created.

Gadey, Harish Reddy↗

Hardening DOE R&D Software Tools for Web-based Visualization SBIR Phase I Final Report

Ubiquitous web-based visualization is essential to delivering large-scale data visualization to various stakeholders, from the scientist to the board member. These stakeholders will not tolerate a stalled application or a pop-up window asking them to wait for the processing to complete. They require a responsive and interactive visualization environment with high-quality imagery suitable for detailed analysis and boardroom presentations. At Kitware, Inc., we have accomplished web visualization to this point, leveraging state-of-the-art tools like HTML5, CSS3, SVG, Canvas, and WebGL. Solutions that leverage a combination of these technologies are necessary to handle workloads that vary significantly in data size efficiently. However, it is not always practical to move large data to the web client for visualization. Kitware's ParaView as a Service combines client-side visualization using both distributed processing and remote rendering on big data impractical to move. Existing distributed processing and remote rendering solution's interactivity is below the expectations of web-based applications. Our project examined proposed solutions to the areas outlined above in ParaView as a Service. We have investigated concurrent pipelines, streaming images, progressive rendering, and optimization of algorithms and data movement to address these concerns. For the Phase I project, we completed the proposed work plan. As a result, the project produced three prototypes of essential importance for web visualization and the ParaView as a Service community. We created a simple desktop application for an interactive streamline placement prototype, a web-based interactive streamline placement prototype, and a web-based progressive rendering utilizing raytracing prototype. These prototypes relied on the hardening of emerging software toolkits funded by the Department of Energy (DOE) Advanced Scientific Computing Research (ASCR) program (such as ParaView, VTK-m, and Mochi). We blended these components into web-based visualization prototypes that meet the industry's expectations for interactivity and responsiveness. The Phase I project had four essential focus areas: 1. Develop prototype ParaView as a Service backend server using asynchronous, non-blocking design principles. 2. Develop a prototype web application that uses the ParaView as a Service backend server for remote data visualization. 3. Implement image streaming with encoding/compression and progressive rendering capabilities in the proposed platform. 4. Evaluate the prototype developed and summarize observations, including the challenges and pitfalls of our approach. After our successful completion of Phase I, we are strongly positioned to propose a successful Phase II project.

Geveci, Berk↗

Disruption of Commercial Solar Inverter System by TLS Proxy Man-in-the-Middle Attack

Transport Layer Security (TLS) is a cryptographic protocol that encrypts communication data, providing end-to-end communication encryption and authentication. Currently, TLS is widely adopted for securing communication between servers and end devices, including solar inverter systems. Therefore, users/operators can securely access the solar inverters through a web user interface (WebUI) application programmable interface (API) on a PC or server over TLS-enabled Wi-Fi or Ethernet. However, the security of the TLS-based network becomes compromised if it is breached by a TLS proxy man-in-the-middle (MITM) exploit. This report explores potential vulnerabilities in a commercial solar inverter system that leverages a TLS proxy MITM and discusses the impacts through assume-breached penetration testing. Furthermore, the paper explores recommended mitigation methods against the TLS proxy MITM exploit in solar inverters.

97 MATHEMATICS AND COMPUTING↗

WHONDRS-GUI: a web application for global survey of surface water metabolites

Background The Worldwide Hydrobiogeochemistry Observation Network for Dynamic River Systems (WHONDRS) is a consortium that aims to understand complex hydrologic, biogeochemical, and microbial connections within river corridors experiencing perturbations such as dam operations, floods, and droughts. For one ongoing WHONDRS sampling campaign, surface water metabolite and microbiome samples are collected through a global survey to generate knowledge across diverse river corridors. Metabolomics analysis and a suite of geochemical analyses have been performed for collected samples through the Environmental Molecular Sciences Laboratory (EMSL). The obtained knowledge and data package inform mechanistic and data-driven models to enhance predictions of outcomes of hydrologic perturbations and watershed function, one of the most critical components in model-data integration. To support efforts of the multi-domain integration and make the ever-growing data package more accessible for researchers across the world, a Shiny/R Graphical User Interface (GUI) called WHONDRS-GUI was created. Results The web application can be run on any modern web browser without any programming or operational system requirements, thus providing an open, well-structured, discoverable dataset for WHONDRS. Together with a context-aware dynamic user interface, the WHONDRS-GUI has functionality for searching, compiling, integrating, visualizing and exporting different data types that can easily be used by the community. The web application and data package are available at https://data.ess-dive.lbl.gov/view/doi:10.15485/1484811 , which enables users to simultaneously obtain access to the data and code and to subsequently run the web app locally. The WHONDRS-GUI is also available for online use at Shiny Server ( https://xmlin.shinyapps.io/whondrs/ ).

59 BASIC BIOLOGICAL SCIENCES↗

Drone Video Platform—Collision Avoidance, Situational Awareness, and Communications

Small unmanned aerial systems are ideal for delivering sensors into areas that are inaccessible or too dangerous for human entry or manned aircraft over-flights. The systems can fly low and slow for enhanced sensitivity and in tight spaces where ordinary aircraft could never fit. We have configured and flown sensor payloads for radiation, chemical, and optical detection on small fixed-wing and rotary-wing aircraft. All the sensor packages provide telemetry, GPS coordinates, LIDAR distance ranging, and absolute time of day to microsecond accuracy. Payload weights range from less than 1 kg up to 5.5 kg. Currently, communications are over 2.4 GHz and 915 MHz radios, as well as over 4G LTE cellular data links. Real-time data feeds from the sensor payloads to web browser clients anywhere in the world are possible via a virtual EC2 server on the Amazon AWS cloud. In FY 2019, the Nevada National Security Site teamed with Virginia Tech, H3D Corp., and Unmanned Systems, Inc. to accomplish the four flight missions described in this report. A large part of this year’s mission goals were to demonstrate the ability to fly beyond visual line of sight (BVLOS).

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Autonomous elemental characterization enabled by a low cost robotic platform built upon a generalized software architecture

Despite the rapidly growing applications of robots in industry, the use of robots to automate tasks in scientific laboratories is less prolific due to the lack of generalized methodologies and the high cost of hardware. This paper focuses on the automation of characterization tasks necessary for reducing cost while maintaining generalization and proposes a software architecture for building robotic systems in scientific laboratory environments. A dual-layer (Socket.IO and ROS) action server design is the basic building block, which facilitates the implementation of a web-based front end for user-friendly operation and the use of ROS Behavior Trees for convenient task planning and execution. A robotic platform for automating mineral and material sample characterization is built upon the architecture, with an open-source, low-cost three-axis computer numerical control gantry system serving as the main robot. A handheld laser induced breakdown spectroscopy (LIBS) analyzer is integrated with a 3D printed adapter, enabling (1) automated 2D chemical mapping and (2) autonomous sample measurement (with the support of an RGB-Depth camera). We demonstrate the utility of automated chemical mapping by scanning the surface of a spodumene-bearing pegmatite core sample with a 1071-point dense hyperspectral map acquired at a rate of 1520 bits per second. Furthermore, we showcase the autonomy of the platform in terms of perception, dynamic decision-making, and execution, through a case study of LIBS measurement of multiple mineral samples. The platform enables controlled and autonomous chemical quantification in the laboratory that complements field-based measurements acquired with the same handheld device, linking resource exploration and processing steps in the supply chain for lithium-based battery materials.

Cao, Xuan [Lawrence Berkeley National Laboratory (↗

CMS Token Transition

Within the LHC community, a momentous transition has been occurring in authorization. For nearly 20 years, services within the Worldwide LHC Computing Grid (WLCG) have authorized based on mapping an identity, derived from an X.509 credential, or a group/role, derived from a VOMS extension issued by the experiment. A fundamental shift is occurring to capabilities: the credential, a bearer token, asserts the authorizations of the bearer, not the identity. By the HL-LHC era, the CMS experiment plans for the transition to tokens, based on the WLCG Common JSON Web Token profile, to be complete. Services in the technology architecture include the INDIGO Identity and Access Management server to issue tokens; a HashiCorp Vault server to store and refresh access tokens for users and jobs; a managed token bastion server to push credentials to the HTCondor CredMon service; and HTCondor to maintain valid tokens in long-running batch jobs. We will describe the transition plans of the experiment, current status, configuration of the central authorization server, lessons learned in commissioning token-based access with sites, and operational experience using tokens for both job submissions and file transfers.

43 PARTICLE ACCELERATORS↗

MCP-eGridGPT (MCP-Enabled Chatbot with Electrical Power System Analysis and Interactive Visualization Tool) [SWR-25-126]

This software is an advanced chatbot system that integrates the Model Context Protocol (MCP) to provide intelligent electrical power system analysis and automated visualization generation. The system enables users to interact with complex electrical engineering tools through natural language, automatically analyzes power system data for voltage violations and grid health assessment, and generates professional interactive HTML dashboards and reports. Key features include dynamic tool discovery from MCP servers, multi-LLM provider support, intelligent data interpretation using large language models, automated chart generation, and a web-based interface for real-time analysis. The software bridges sophisticated electrical engineering analysis with user-friendly interfaces, making power system diagnostics accessible through conversational AI.

Choi, Seong [National Laboratory of the Rockies (N↗