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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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At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

A Performance-Portable MultiGPU Implementation of 3D Euler Equations using ProtoX and IRIS

Computational scientists often face challenges when developing and optimizing code for high-performance computing (HPC), especially when trying to leverage GPUs. Given the heterogeneity of the nodes that comprise many modern HPC facilities, considerable demand exists for performance portable solutions for the core computational kernels used in many scientific computing libraries. In this work, we demonstrate a fourth-order finite volume method–based implementation of the Euler equations, which are an integral part of computational fluid dynamics. Our performance-portable multiGPU implementation for Euler equations uses ProtoX to generate kernels and IRIS for portability. ProtoX is a domain-specific language that uses a structured-grid partial differential equation library called Proto as its front end and the SPIRAL code generation system as its back end to generate optimized kernels for different architectures. Optimized kernels generated by ProtoX are orchestrated through the IRIS intelligent runtime system to provide portability. Two levels of optimizations within the IRIS runtime— directed acyclic graph fusion and task fusion—are explored to efficiently utilize computing resources in a multiGPU environment. Performance improvement through these optimizations is showcased by comparing the base ProtoX-IRIS implementation on AMD GPUs (Frontier node) and on NVIDIA GPUs (NVIDIA DGX-1).

Mankad, Het↗
DOE OSTI2023

An Incremental Gradient Method for Optimization Problems With Variational Inequality Constraints

We consider minimizing a sum of agent-specific nondifferentiable merely convex functions over the solution set of a variational inequality (VI) problem in that each agent is associated with a local monotone mapping. This problem finds an application in computation of the best equilibrium in nonlinear complementarity problems arising in transportation networks. We develop an iteratively regularized incremental gradient method where at each iteration, agents communicate over a directed cycle graph to update their solution iterates using their local information about the objective and the mapping. The proposed method is single-timescale in the sense that it does not involve any excessive hard-to-project computation per iteration. We derive nonasymptotic agent-wise convergence rates for the suboptimality of the global objective function and infeasibility of the VI constraints measured by a suitably defined dual gap function. Finally, the proposed method appears to be the first fully iterative scheme equipped with iteration complexity that can address distributed optimization problems with VI constraints over cycle graphs.

convergence↗
DOE OSTI2020

Provenance infrastructure for multimodal x-ray experiments and reproducible analysis

Exploring relationships between material structures and desired properties for material discovery and synthesis requires mining machine-readable databases and linking experimental data with sufficiently rich annotations. There are vast gaps both in these data sources and in the connections between them. We present a provenance-based data management and analysis framework that enables capturing, persisting, and reanalyzing experimental data from the BNL National Synchrotron Light Source II (NSLS-II). Our system leverages NSLS-II Bluesky for experimental data acquisition, captures analysis parameters, and enriches the search space with results from the scientific literature. We describe in detail the challenges and benefits of data-driven approaches when comparing computational and experimental data, such as the multiple possible scenarios of interest in often ill-posed inverse problems and missing data. Our infrastructure utilizes the NSLS-II event model and includes discovery mechanisms across multiple beamlines. A text and data mining module using natural language processing classification techniques extracts relevant information from the literature that is added to data sources. We describe a provenance acquisition and analysis rerun workflow based on a directed acyclic graph that keeps track of process and data provenance and allows to replay analysis.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

tenzing

SAND2022-3576 O tenzing provides techniques for improving the performance of key applications and libraries. The program is specified as a directed acyclic graph of operations. It uses Monte-Carlo tree search to explore the design space of possible implementations and applies machine learning to the observed empirical performance to deliver design guidance to users. 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.

SciDAC↗
DOE OSTI2024

Deeplynx Dag Repository

The DeepLynx DAG repository will contain several Airflow DAGs (Directed Acyclic Graphs) which will be used in the context of DeepLynx's deployed Apache Airflow instance. These DAGs will be used for multiple data management tasks for DeepLynx data, including but not limited to: - bringing data from various sources and tools into DeepLynx - managing sequential data workflows, such as running Python scripts on data to perform analysis and returning the results to DeepLynx - performing any necessary transformation or pre-processing on data coming into DeepLynx from external sources or out of DeepLynx to go to external applications

Brownlee, JarenM.↗
DOE OSTI2024

Methods for Causal Discovery

SAND2025-11742O Methods for Causal Discovery is a software tool that is used for causal discovery from data, including predicting and visualizing directed acyclic graphs from data using traditional machine learning techniques. 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.

SciDAC↗
DOE OSTI2021

A Functional All-Hazard Approach to Critical Infrastructure Dependency Analysis

The critical infrastructures protection landscape is a vast and varied pattern of independent, but interconnected infrastructure systems that are essential to the function of our modern society. The U.S. policy on critical infrastructure protection has been continually evolving since the “President’s Commission on Critical Infrastructure Protection” was published in 1997. In response to these policies, federal, state, and local governments, along with research institutions, have invested a substantial amount of time and effort into identifying and analyzing critical infrastructure, their functions, and dependencies/interdependencies to better understand their vulnerabilities. To date, the ability to assess vulnerabilities, resiliency, and priorities for protecting interdependent critical infrastructure systems from an all-hazards perspective remains a difficult problem. In this paper we introduce the All-Hazards Analysis (AHA) methodology, which provides an integrated functional basis across infrastructure systems, through the implementation of a common language and a scalable level of decomposition to effectively evaluate the resilience of interconnected infrastructure systems. AHA models infrastructure systems as directed multidimensional graphs, which enable the evaluation of cross-sector interdependencies prior to, during, and after disruptive events. Finally, and by design, AHA enables the cross linking of data taxonomies to enable more effective data sharing, such as the National Critical Functions (NCF) and Infrastructure Data Taxonomy (IDT).

02 PETROLEUM↗
DOE OSTI2020

Learning Hidden Structure in Multi-Fidelity Information Sources for Efficient Uncertainty Quantification (LDRD 218317)

This report summarizes the work done under the Laboratory Directed Research and Development (LDRD) project entitled "Learning Hidden Structure in Multi-Fidelity Information Sources for Efficient Uncertainty Quantification". In this project we investigated multi-fidelity strategies for fusing data from information sources of varying cost and accuracy. Most existing strategies exploit hierarchical relationships between models, for example that occur when different models are generated by refining a numerical discretization parameter. In this work we focused on encoding the relationships between information sources using directed acyclic graphs. The multi-fidelity networks can have general structure and represent a significantly greater variety of modeling relationships than recursive networks used in the current state literature. Numerical results show that a non-hierarchical multi-fidelity Monte Carlo strategy can reduce the cost of estimating uncertainty in predictions of a model of plasma expanding in a vacuum by almost two orders of magnitude.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Data-flow parallelism for high-energy and nuclear physics computing frameworks

The processing tasks of a scientific workflow in high-energy and nuclear physics (HENP) can typically be represented as a directed acyclic graph formed according to the data flow—i.e. the data dependencies among algorithms executed as part of the workflow. With this representation, an HENP computing framework can optimally execute a workflow, exploiting the parallelism inherent among independent tasks. Despite such a natural description of a workflow, most HENP frameworks do not make use of technologies that provide concurrent execution of graph-based tasking structures. In this session, we describe Fermilab efforts to adopt a graph-based technology (specifically Intel’s oneTBB flow graph) for meeting the framework needs of its experiments, notably DUNE. After introducing the physics DUNE intends to explore, we will show that all common processing idioms supported by current HENP frameworks can naturally be supported by oneTBB’s data-flow technology, optimally leveraging the concurrent capabilities of the machine. In addition, we discuss collaborative efforts between Fermilab and the Intel oneTBB development team, who is considering improvements to the flow-graph technology to better support HENP use cases.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Data-flow parallelism for high-energy and nuclear physics frameworks

The processing tasks of an event-processing workflow in high-energy and nuclear physics (HENP) can typically be represented as a directed acyclic graph formed according to the data flow—i.e. the data dependencies among algorithms executed as part of the workflow. With this representation, an HENP framework can optimally execute a workflow, exploiting the parallelism inherent among independent tasks. Despite such a natural description of a workflow, most HENP frameworks do not make use of technologies that provide concurrent execution of graph-based tasking structures. In this talk, we describe Fermilab efforts to adopt a graph-based technology (specifically Intel’s oneTBB flow graph) for meeting the framework needs of its experiments, notably DUNE. Building on the Meld project as presented at CHEP2023, we demonstrate that all common processing idioms supported by current frameworks can naturally be supported by oneTBB’s data-flow technology, optimally leveraging the concurrent capabilities of the machine. In addition, we discuss collaborative efforts between Fermilab and the Intel oneTBB development team, who is considering improvements to the flow-graph technology to better support HENP use cases.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

CAMEO: A Co-design Architecture for Multi-objective Energy System Optimization (Project Report)

CAMEO (Codesign Architecture for Multi-objective Energy System Optimization) is a modular workflow management framework that abstracts co-design problems as Directed Acyclic Graphs (DAG). The framework employs JSON-based workflow specifications that enable systematic decomposition of complex optimization problems into reusable, interchangeable components including data loaders, scenario generators, optimization solvers, and result summarizers.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

An intelligent Data Delivery Service for and beyond the ATLAS experiment

The intelligent Data Delivery Service (iDDS) has been developed to cope with the huge increase of computing and storage resource usage in the coming LHC data taking. It has been designed to intelligently orchestrate workflows and data management systems, decoupling data pre-processing, delivery, and primary processing in large scale workflows. It is an experiment-agnostic service that has been deployed to serve data carousel (orchestrating efficient processing of tape-resident data), machine learning hyperparameter optimization, active learning, and other complex multi-stage workflows defined via DAG (Directed Acyclic Graph), CWL (Common Workflow Language) and other descriptions, including a growing number of analysis workflows. We will at first introduce some deployed use cases in a summary. Then we will focus on new improvements and use cases under developments in ATLAS, Rubin Observatory and sPHENIX, together with future efforts.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Framework for Extensible, Asynchronous Task Scheduling (FEATS) in Fortran

Most parallel scientific programs contain compiler directives (pragmas) such as those from OpenMP, explicit calls to runtime library procedures such as those implementing the Message Passing Interface (MPI), or compiler-specific language extensions such as those provided by CUDA. By contrast, the recent Fortran standards empower developers to express parallel algorithms without directly referencing lower-level parallel programming models. Fortran’s parallel features place the language within the Partitioned Global Address Space (PGAS) class of programming models. When writing programs that exploit data-parallelism, application developers often find it straightforward to develop custom parallel algorithms. Problems involving complex, heterogeneous, staged calculations, however, pose much greater challenges. Such applications require careful coordination of tasks in a manner that respects dependencies prescribed by a directed acyclic graph. When rolling one’s own solution proves difficult, extending a customizable framework becomes attractive. The paper presents the design, implementation, and use of the Framework for Extensible Asynchronous Task Scheduling (FEATS), which we believe to be the first task-scheduling tool written in modern Fortran. We describe the benefits and compromises associated with choosing Fortran as the implementation language, and we propose ways in which future Fortran standards can best support the use case in this paper.

Richardson, Brad↗
DOE OSTI2021

Securing Environmental IoT Data Using Masked Authentication Messaging Protocol in a DAG-Based Blockchain: IOTA Tangle

The demand for the digital monitoring of environmental ecosystems is high and growing rapidly as a means of protecting the public and managing the environment. However, before data, algorithms, and models can be mobilized at scale, there are considerable concerns associated with privacy and security that can negatively affect the adoption of technology within this domain. In this paper, we propose the advancement of electronic environmental monitoring through the capability provided by the blockchain. The blockchain’s use of a distributed ledger as its underlying infrastructure is an attractive approach to counter these privacy and security issues, although its performance and ability to manage sensor data must be assessed. We focus on a new distributed ledger technology for the IoT, called IOTA, that is based on a directed acyclic graph. IOTA overcomes the current limitations of the blockchain and offers a data communication protocol called masked authenticated messaging for secure data sharing among Internet of Things (IoT) devices. We show how the application layer employing the data communication protocol, MAM, can support the secure transmission, storage, and retrieval of encrypted environmental sensor data by using an immutable distributed ledger such as that shown in IOTA. Finally, we evaluate, compare, and analyze the performance of the MAM protocol against a non-protocol approach.

Gangwani, Pranav (ORCID:0000000159226002)↗
DOE OSTI2020

Determining flow directions in river channel networks using planform morphology and topology

Abstract. The abundance of global, remotely sensed surface water observations has accelerated efforts toward characterizing and modeling how water moves across the Earth's surface through complex channel networks. In particular, deltas and braided river channel networks may contain thousands of links that route water, sediment, and nutrients across landscapes. In order to model flows through channel networks and characterize network structure, the direction of flow for each link within the network must be known. In this work, we propose a rapid, automatic, and objective method to identify flow directions for all links of a channel network using only remotely sensed imagery and knowledge of the network's inlet and outlet locations. We designed a suite of direction-predicting algorithms (DPAs), each of which exploits a particular morphologic characteristic of the channel network to provide a prediction of a link's flow direction. DPAs were chained together to create “recipes”, or algorithms that set all the flow directions of a channel network. Separate recipes were built for deltas and braided rivers and applied to seven delta and two braided river channel networks. Across all nine channel networks, the recipe-predicted flow directions agreed with expert judgement for 97 % of all tested links, and most disagreements were attributed to unusual channel network topologies that can easily be accounted for by pre-seeding critical links with known flow directions. Our results highlight the (non)universality of process–form relationships across deltas and braided rivers.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Operational Intelligence in the ATLAS Continuous Integration System

Describes the role of the ATLAS Continuous Integration (CI) System in the ATLAS offline software development infrastructure • Outlines the CI system components and processes • Details Operational Intelligence techniques to accelerate CI jobs and lower operating costs • Explains the Directed Acyclic Graph (DAG) approach in CI pipelines • Reports achieved improvements

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

A Causal Approach to Model Validation and Calibration

This poster presents a novel method for validation and verification that focuses on identifying causal relationships between data elements, moving beyond traditional statistical and machine learning approaches. These methods employ causal discovery techniques to reveal the underlying mechanisms of data generation. The research utilizes structural causal models and directed acyclic graphs to depict causal relationships. This approach assists in achieving alignment between simulation models and reality.

97 MATHEMATICS AND COMPUTING↗