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As anyone even vaguely aware of current technology can tell you, machine learning (ML) and artificial intelligence (AI) have made exceptional breakthroughs in recent years. Generative artificial intelligence (GAI) emerged circa 2022 dominated by Large Language Models (LLMs) and generative tools for images emerged at about the same time.
The incorporation of Artificial Intelligence (AI) models into various optimization systems is on the rise. However, addressing complex urban and environmental management challenges often demands deep expertise in domain science and informatics. This expertise is essential for deriving data and simulation-driven insights that support informed decision-making. In this context, we investigate the potential of leveraging the pre-trained Large Language Models (LLMs) to create knowledge representations for supporting operations research. By adopting ChatGPT-4 API as the reasoning core, we outline an applied workflow that encompasses natural language processing, Methontology-based prompt tuning, and Generative Pre-trained Transformer (GPT), to automate the construction of scenario-based ontologies using existing research articles and technical manuals of urban datasets and simulations. From these ontologies, knowledge graphs can be derived using widely adopted formats and protocols, guiding various tasks towards data-informed decision support. The performance of our methodology is evaluated through a comparative analysis that contrasts our AI-generated ontology with the widely recognized pizza ontology, commonly used in tutorials for popular ontology software. We conclude with a real-world case study on optimizing the complex system of multi-modal freight transportation. Our approach advances urban decision support systems by enhancing data and metadata modeling, improving data integration and simulation coupling, and guiding the development of decision support strategies and essential software components.
Experimental particle physics has been at the forefront of analyzing the world’s largest datasets for decades. The high-energy physics (HEP) community was among the first to develop suitable software and computing tools for this purpose. GlideinWMS is a Glidein-based workload management system whose purpose is to provide experiments like CMS at CERN, DUNE at Fermilab, and others, a way to access and efficiently use vast amounts of computing resources. This system wants to provide a simple way to submit jobs to a set of computing resources, that will be provided to users behind the scenes. Glideins are the pilot jobs executed on the worker nodes at the grid sites, performing operations such as hardware detection, environment setup, and error handling. After all these operations, they will launch the actual user job. Many grid sites are supported, such as shared clusters, Google CE, and AWS. My internship aimed to design and code a flexible pilot jobs framework that will replace the one used by GlideinWMS, developing a modular and flexible skeleton of the Glidein and adding further functionalities. My project also focused on the application of machine learning techniques as support to this management system.
The Machine Learning Data Platform (MLDP) is a product providing full-stack support for data science, Machine Learning, and Artificial Intelligence (ML/AI) applications at particle accelerator and large experimental physics facilities. It supports ML/AI applications from front-end, high-speed acquisition of heterogeneous, time-series data, through data archiving and management, to back-end analysis. The MLDP embodies a “data-science ready” platform for data analysis and ML/AI applications in diagnosis, modelling, control, and optimization of these facilities. It provides data scientists and applications a consistent, datacentric interface to archive data standardizing implementation and deployment of ML/AI algorithms to different operations configurations within the same facility, or between facilities. Being an open-source, public-domain project, the MLDP is intended for broadest possible impact by increasing accessibility and minimizing the required expertise for installation and operation. The MLDP can also be deployed at user facilities for experimental data collection, archiving, and analysis. It is capable of acquisition and archiving of heterogeneous data from experimental equipment (e.g., images, arrays, structures, etc.) along with system hardware configurations (e.g., scalars, tables), control system process variables, and any metadata required for provenance. Thus, the MLDP can manage experimental data through its entire lifecycle, from acquisition and archiving, through analysis and investigation, to release and final publication.
Final report produced as part of grant awarded to National Grid. The final report is a roadmap of 39 prioritized sites. These sites would create a minimum viable network of charging infrastructure, enabling the electrification of trucks across the Northeast
Preserving experimental data is essential for supporting advancements in nuclear science and ensuring the longevity of Idaho National Laboratory's contributions to reactor technology and safety. This report provides a comprehensive guide to best practices for experimental data management and preservation, focusing on standardized data formats, redundancy in storage, metadata documentation, and alignment with international standards. By following these recommendations, experimentalists and reactor operators can enhance the accessibility, reproducibility, and utility of critical datasets for regulatory review, validation computational methods, and future research.
This oral presentation captures the technical and developmental aspect of the program in support of UNLV. The goal of this project is to develop a steady pipeline of STEM educated professionals in area of national and international nuclear security. The goal is to train university students at NNSS laboratories in studies motivated by global nuclear security topics ranging from nuclear emergency response and management to physics experiments for stockpile stewardship program.
This report provides a technical overview of how to go from raw to curated data in three stages using a lakehouse approach. We focus on the application of open source tools in scientific use cases (while noting parallels to enterprise and commercial alternatives). Our goal is to provide scientific data managers and infrastructure providers with a common frame of reference for understanding and applying modern lakehouse technologies and approaches.
During the one-year project, we identified research areas that align with Fossil Energy and Carbon Management (FECM) mission goals and assessed our university's current research capability and resources. In addition, we determined the resources needed to support FECM-related research and development (R&D) at our minority-serving institution, University of Texas Rio Grande Valley (UTRGV) in to increase our competitiveness for future funding opportunities in this area. We also gathered information on the current academic courses, programs and curriculum at UTRGV that aligns with FECM goals and described additional needs pertaining to student training.
Genomic and metagenomic sequence data provides an unprecedented ability to re-examine findings, offering a transformative potential for advancing research, developing computational tools, enhancing clinical applications, and fostering scientific collaboration. However, effective and ethical reuse of genomics data is hampered by numerous technical and social challenges. The International Microbiome and Multi’Omics Standards Alliance (IMMSA, https://www.microbialstandards.org/) and the Genomic Standards Consortium (GSC, https://gensc.org) hosted a 5-part seminar series “A Year of Data Reuse” in 2024 to explore challenges and opportunities of data reuse and reproducibility across disparate domains of the genomic sciences. Addressing these challenges will require a multifaceted approach, including common metadata reporting, clear communication, standardized protocols, improved data management infrastructure, ethical guidelines, and collaborative policies that prioritize transparency and accessibility. We offer strategies to enable responsible and technically feasible data reuse, recognition of data reproducibility challenges, and emphasizing the importance of cross-disciplinary efforts in the pursuit of open science and data-driven innovation.
Oak Ridge National Laboratory (ORNL) is leveraging its established capabilities and subject matter expertise in data curation, governance, management, national security, and risk assessment and mitigation to support the US Department of Energy (DOE) Grid Modernization Initiative. Using standards modeled by the National Institute of Standards and Technology (NIST), the Data Curation Network (DCN), the Oak Ridge Leadership Computing Facility (OLCF), and other leading organizations in the fields of energy research, high-performance computing, and national and homeland security, ORNL seeks to provide a federated approach to research data discovery, use, and interoperability.
This white paper focuses on the “energy-for-water” domain, addressing the urgent need for integrated, empirical data to support regional management, benchmarking, and research on improving efficiency and developing technologies for water and wastewater management systems. The costs and energy required for the supply, treatment, and distribution of water and wastewater lack a standard data collection mechanism and centralized database or storage infrastructure, limiting data-driven decision-making across interdependent infrastructure systems.
The Los Alamos Neutron Science Center (LANSCE) is located at Technical Area 53 (TA-53) at Los Alamos National Laboratory (LANL) in Los Alamos, New Mexico. LANSCE is driven by an 800 megaelectronvolt (MeV) proton accelerator that delivered its first beam in 1972. The LANSCE accelerator is unique in that it accelerates both H– (to full energy of 800 MeV) and H+ ions (up to 100 MeV currently but has accelerated high-power H+ beam to 800 MeV in the past) and supports five separate experimental areas that operate simultaneously, with each having different timing and beam current requirements. Many of the LANSCE accelerator front-end components date back to original commissioning in 1972, including the ion sources, Cockcroft-Walton (CW) generators, and the Drift Tube LINAC (DTL), which accelerates the beam up to 100 MeV.
Granta: Materials Intelligence (Granta: MI) is a commercial database software distributed by Ansys, Inc. that is utilized by the Nuclear Security Enterprise (NSE) to organize and store relevant materials data. Lack of standard and well-documented database schema is the primary obstacle to an NSE materials data management solution, so the objective of this project is to create and document such a schema. In FY21, an approach for designing, documenting, and managing a standard database schema was described based on the creation of schema elements (collections of attributes used to describe particular aspects of the data) to be used as building blocks for creating various database tables without duplication. In FY22, these methods were applied through a multi-site collaboration to create and document the schema elements necessary to build a thermogravimetric analysis (TGA) testing table. In FY23 the schema was expanded to include elements for a differential scanning calorimetry (DSC) table, along with schema for supporting metadata tables including Instruments, Projects, Documents, and Testing Series. In FY24 the following progress was made, again through multi-site collaboration: • The existing schema elements were modified to accommodate thermomechanical analysis (TMA) data, and a table, Test Data: TMA, was created for managing TMA data. • The elements necessary for the following additive manufacturing (AM) data tables (directed at data specific to selective laser sintering AM technology) were created: • AM Builds • AM Processes • AM Part Designs • Built AM Parts • AM Feedstock Materials • AM Feedstock Material Batches • The elements necessary for creating a Calibrated Material Models table were created, and the Calibrated Material Models table was created. In FY25 the existing schema will be deployed on the production enterprise Granta instance on the enterprise secure network. Schema elements will be appended, and new elements created as necessary, to allow the creation of tables specifically to support materials testing, AM process development, and design and analysis for modernization programs.
The Tritium Systems Test Assembly (TSTA) at Los Alamos National Laboratory, operational from 1984 to 2001, was critical in advancing fusion fuel cycle technologies, including tritium storage, gas separation, and pumping. TSTA’s contributions, particularly in safe tritium operations, have influenced subsequent fusion projects. This paper discusses the ongoing effort to digitize and catalog TSTA’s historical data to create a searchable resource for the fusion research community. While the long-term objective is to develop a relational database for structured data management, the project remains in the early phase, with current efforts focused on scanning and indexing physical documents. Initial plans for database implementations are also presented, outlining key considerations for structure, query indexing, and standardization. As digitization progresses, future discussions will refine these implantation details to ensure an efficient and comprehensive system. This initiative aims to preserve critical legacy data, enhance the design of tritium system facilities, and support the next generation of fusion energy research.
This standard presents a set of optional metadata fields for managed digital objects within the Nuclear Security Enterprise (NSE) and provides a deeper look at data representation in metadata by looking at the representation of 1) Records Management required metadata, and 2) common representations of technical/scientific data. Metadata standardization is a critical enabler for effectively sharing data, documents, and other digital objects between NSE sites, and for tracing the digital thread at the object level. Standardization is necessary for both schemas and vocabularies, meaning that both field standards and value standards must be specified. This document serves as a complementary field standard, recommending an optional set of fields that should be uniformly built for all managed digital objects within the NSE. This document specifically focuses on extending the shared discovery layer defined in the first white paper by introducing additional descriptive and data representation fields that improve cross-site search and interpretation.
The Federal Radiological Monitoring and Assessment Center (FRMAC) is an operational center, available on request by the Department of Homeland Security (DHS) to respond to nuclear and radiological incidents as described in the National Response Framework (NRF). Under the Federal Interagency Operational Plan for Response and Recovery’s Nuclear/Radiological Annex, the U.S. Department of Energy (DOE) has the responsibility to maintain the operational readiness of the FRMAC during the emergency phase of an event. FRMAC is initially established and managed by the Nuclear Emergency Support Team (NEST) and serves as an interagency operations center with representatives from various federal, state, and local radiological response organizations. The purpose of the FRMAC is to assist state, local, tribal, and territorial governments (SLTT) in their mission to protect the health and well-being of their citizens with: • Verified radiation measurements. • Interpretations of radiation distributions based on Environmental Protection Agency (EPA), Food and Drug Administration (FDA), or local Protective Action Guidelines (PAGs). • Characterization of overall radiological conditions. Once a declaration to respond to a radiological emergency has been made, the National Nuclear Security Administration (NNSA) Headquarters will coordinate the response in consultation with the cognizant NNSA Regional Coordinating Office (RCO). Each of the eight RCOs maintain a 24-hour response capability for radiological emergencies that may occur in states served by its region. When a FRMAC is established, it operates under the parameters of the Incident Command System (ICS), as defined in the National Incident Management Systems (NIMS) construct. The Consequence Management Home Team (CMHT) will be activated immediately during normal business hours (Pacific Time Zone), and within two hours otherwise. The Consequence Management Response Team (CMRT) is prepared for deployment within six hours after activation. Along with the assets, FRMAC provides an operational framework for coordinating of all federal off-site radiological monitoring and assessment activities during a response to a radiological emergency to support the coordinating agency and SLTT governments. Potential radiological emergencies that fall within FRMAC vary widely in terms of the area affected, the nature of the contamination, and the scope of the government’s response. Detonation of a nuclear device, accidental release of radiation from a nuclear power plant, and a terrorist threat are just a few of the many possible scenarios FRMAC must be prepared to address. Through all this, supporting the state, local, and tribal organizations in the protection of the public remains the primary goal of the federal response.
This is the manual for the TeMPI Shim library, whose goal is to facilitate scientific apps being loosely coupled through MPI. TeMPI Shim can be used to create and manage Message Passing Interface (MPI, see [MPI]) Communicators for Single Program, Multiple Data (SPMD, see [SPMD]) and Multiple Programs, Multiple Data (MPMD, see [MPMD]) workflows. MPI provides the MPI_APPNUM command number to each of the processes within its context. This number, starting at 0, is the application number being executed. In a case where 3 applications are being run in MPMD mode, there would be MPI_APPNUM values of 0, 1, and 2. TeMPI Shim creates intra- and inter-communicators between each pair of MPI_APPNUM values. In the aforementioned case, application 0 would have intra- and inter-communicators to speak to itself, application 1, and application 2. This is replicated for each of the applications. Additionally, TeMPI Shim creates intra- and inter-communicators for the first MPI rank of each application to directly communicate only with each other. Finally, TeMPI Shim creates its own copy of the default world communicator, i.e., MPI_COMM_WORLD. In the case where there is only a single application, it will have the communicators to only speak with itself. TeMPI Shim is useful in this case since it is considered good practice for MPI applications to copy the default world communicator and reference this copy (see [Duplicate World]_) anyways. Ultimately, it provides value independent of the number of applications present.