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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 OSTI2026

LibraryX: A Framework for Cross-Library-Call Optimization

Scientific applications utilize performance libraries as a software engineering concept: these libraries encapsulate important and well-understood (mathematical) operations, allow for reuse, and are implemented and tuned by experts. Domain scientists then implement complex algorithms based on these domainspecific libraries. While individual library calls are optimized, larger performance gains across sequences of calls—sometimes spanning multiple libraries—are often unrealized, forcing a trade-off between performance and implementation complexity.To overcome this issue, we propose LibraryX, an approach and a system that allows for cross-library-call optimization even when library calls stem from multiple performance libraries. LibraryX annotates library calls with semantic information and optimizes entire directed acyclic graphs (DAGs) of calls dynamically using the SPIRAL code generation system. We demonstrate its effectiveness across a range of memory bound workloads, achieving significant speedups on Nvidia, AMD, and Intel accelerators compared to code using native libraries without cross-call optimization.

Rao, Sanil [Carnegie Mellon University,Department ↗
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 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 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)↗
NASA NTRS1985

On instruction sets and their formats

Central to instruction set design is the issue of the instruction format. Some common format encoding techniques are discussed, and a method of representing high-level language parse trees by means of formats that cover successively larger portions of a tree is introduced. Variations are introduced on the method that represent directed acyclic graphs as well as simple parse trees, and that encode constants in a special fashion. For a particular representation, the number of times each format is executed to run a sample program to completion is measured.

Flynn, M. J.↗
NASA NTRS1985

Performance evaluation of a simulated data-flow computer with low-resolution actors

Basic problems related to the exploitation of parallelism in a program include sequencing of the instructions and communication of the data. It is pointed out that the data-flow approach offers an elegant solution to the sequencing problem, since all data dependencies are automatically handled and only instructions with ready input sets are activated. It is shown that a change in the level of subcomputations (actors) affects communications costs. The concept of variable resolution is discussed, and the testbed environment is examined. Attention is given to the architecture of the processing elements, the communication network, and the simulators. A description of the analytical model is also provided. Simulation and results are discussed, taking into account test programs and allocation, the variation of the number of processing elements, the variation of the resolution in directed acyclic graphs, performance in processing loops, and array handling.

Gaudiot, J. L.↗
NASA NTRS1987

Performance prediction of concurrent systems

Concurrent systems are computers that use multiple processors to solve a single problem. A means to predict the application performance on these systems is a useful tool in many areas of concurrent system research. A computationally efficient and accurate method to predict performance for a class of parallel computations on concurrent systems is described. A parallel computation is modeled as a task system with precedence relationships expressed as a series parallel directed acyclic graph. Resources in concurrent systems are modeled as service centers in queueing network models. Using these two models as inputs, the method outputs predictions of both the time to complete the computation and the concurrent system utilization. The algorithm used is based on the approximate Mean Value Analysis in queueing network modeling with extensions to model concurrency in the computation. The new algorithm was validated against both detailed simulation and actual execution on a commercial multiprocessor.

Mak, Victor W. K.↗
NASA NTRS1986

An Ada inference engine for expert systems

The purpose is to investigate the feasibility of using Ada for rule-based expert systems with real-time performance requirements. This includes exploring the Ada features which give improved performance to expert systems as well as optimizing the tradeoffs or workarounds that the use of Ada may require. A prototype inference engine was built using Ada, and rule firing rates in excess of 500 per second were demonstrated on a single MC68000 processor. The knowledge base uses a directed acyclic graph to represent production lines. The graph allows the use of AND, OR, and NOT logical operators. The inference engine uses a combination of both forward and backward chaining in order to reach goals as quickly as possible. Future efforts will include additional investigation of multiprocessing to improve performance and creating a user interface allowing rule input in an Ada-like syntax. Investigation of multitasking and alternate knowledge base representations will help to analyze some of the performance issues as they relate to larger problems.

Lavallee, David B.↗
NASA NTRS1990

Predicting performance of parallel computations

An accurate and computationally efficient method for predicting the performance of a class of parallel computations running on concurrent systems is described. A parallel computation is modeled as a task system with precedence relationships expressed as a series-parallel directed acyclic graph. Resources in a concurrent system are modeled as service centers in a queuing network model. Using these two models as inputs, the method outputs predictions of expected execution time of the parallel computation and the concurrent system utilization. The method is validated against both detailed simulation and actual execution on a commercial multiprocessor. Using 100 test cases, the average error of the prediction when compared to simulation statistics is 1.7 percent, with a standard deviation of 1.5 percent; the maximum error is about 10 percent.

Mak, Victor W.↗