Results for “software development framework” — Page 28

DOE OSTI2025

An Advanced Machine Learning and Artificial Intelligence System for Demonstrating Radiation Regulatory Compliance in DOE Accelerator Facilities

In this Phase II proposal, Applied Research LLC (ARLLC), Thomas Jefferson National Accelerator Facility (Jefferson Lab), and Old Dominion University (ODU) propose the combination of domain knowledge (beam characteristics, fixed structural shielding, earthen burden (the soil and foliage added to the dome of the experimental halls as additional shielding), etc.), machine learning (ML) and/or artificial intelligence (AI) to correlate a variety of multi-modal onsite signals and the radiation fields seen in accessible areas of the accelerator site and the site boundary. The ML/AI will consider the complex influence of environmental parameters affecting the radon contribution of the measurements, focusing on actual data obtained from Jefferson Lab. In Phase I, the coded beam and location data were fed into a deep learning model to predict doses at several designated locations in Jefferson Lab’s facility. Moreover, a dense radiation map was generated using only a sparse collection of the samples in a facility. In Phase II, we will develop a software prototype containing a radiation prediction algorithm, dense radiation map algorithms, and background noise prediction algorithms, with actual data used to evaluate the prototype. This work will provide a framework for evaluation of radiation measurement results around the site based on learned responses. In addition, the proposed approach allows more granular mapping of radiation levels. Better understanding and communication of these levels is related to the overall approach in keeping doses to personnel ALARA.

43 PARTICLE ACCELERATORS↗

DOE OSTI2021

Overview of Virtual Test Bed (VTB)

The Virtual Test Bed (VTB) was established to support the deployment of advanced reactors by facilitating the use of state-of-the-art modeling and simulation capabilities. These tools can solve previously prohibitive challenge problems with greater levels of fidelity and in a multiphysics framework. A VTB repository was recently set up to host models for a wide variety of reactor types and using a range of Nuclear Energy Advanced Modeling and Simulation-developed software. The repository currently includes models for High-Temperature Gas-Cooled Reactors, Sodium Fast Reactors, Fluoride-salt-cooled High-temperature Reactors, Molten Salt Reactors, and Heat-Pipe Microreactors. This article provides an overview of the capabilities currently in the VTB repository.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2016

Streaming Analytics and Data Engineering

SADE is a software package for rapidly assembling analytic pipelines to manipulate data. The packages consists of the engine that manages the data and coordinates the movement of data between the tasks performing a function, a set of core libraries consisting of plugins that perform common tasks, and a framework to extend the system supporting the development of new plugins. Currently through configuration files, a pipeline can be defined that maps the routing of data through a series of plugins. Pipelines can be run in a batch mode or can process streaming data; they can be executed from the command line or run through a Windows background service. There currently exists over a hundred plugins, over fifty pipeline configurations, and the software is now being used by about a half-dozen projects.

Source record↗

DOE OSTI2015

SU-D-BRD-05: Online Framework for Plan Tracking and Automatic Checks in Radiation Therapy

Purpose: To develop an online framework that tracks a patient’s plan from initial simulation to treatment and that helps automate elements of the physics plan checks usually performed in the record and verify (RV) system and treatment planning system. Methods: We have developed PlanTracker, an online plan tracking system that automatically imports new patients tasks and follows it through treatment planning, physics checks, therapy check, and chart rounds. A survey was designed to collect information about the amount of time spent by medical physicists in non-physics related tasks. We then assessed these non-physics tasks for automation. Using these surveys, we directed our PlanTracker software development towards the automation of intra-plan physics review. We then conducted a systematic evaluation of PlanTracker’s accuracy by generating test plans in the RV system software designed to mimic real plans, in order to test its efficacy in catching errors both real and theoretical. Results: PlanTracker has proven to be an effective improvement to the clinical workflow in a radiotherapy clinic. We present data indicating that roughly 1/3 of the physics plan check can be automated, and the workflow optimized, and show the functionality of PlanTracker. When the full system is in clinical use we will present data on improvement of time use in comparison to survey data prior to PlanTracker implementation. Conclusion: We have developed a framework for plan tracking and automatic checks in radiation therapy. We anticipate using PlanTracker as a basis for further development in clinical/research software. We hope that by eliminating the most simple and time consuming checks, medical physicists may be able to spend their time on plan quality and other physics tasks rather than in arithmetic and logic checks. We see this development as part of a broader initiative to advance the clinical/research informatics infrastructure surrounding the radiotherapy clinic. This research project has been financially supported by Varian Medical Systems, Palo Alto, CA, through a Varian MRA.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2016

Bayesian Integration of multiscale environmental data

The software is designed for efficiently integrating large-size of multi-scale environmental data using the Bayesian framework. Suppose we need to estimate the spatial distribution of variable X with high spatial resolution. The available data include (1) direct measurements Z of the unknowns with high resolution in a subset of the spatial domain (small spatial coverage), (2) measurements C of the unknowns at the median scale, and (3) measurements A of the unknowns at the coarsest scale but with large spatial coverage. The goal is to estimate the unknowns at the fine grids by conditioning to all the available data. We first consider all the unknowns as random variables and estimate conditional probability distribution of those variables by conditioning to the limited high-resolution observations (Z). We then treat the estimated probability distribution as the prior distribution. Within the Bayesian framework, we combine the median and large-scale measurements (C and A) through likelihood functions. Since we assume that all the relevant multivariate distributions are Gaussian, the resulting posterior distribution is a multivariate Gaussian distribution. The developed software provides numerical solutions of the posterior probability distribution. The software can be extended in several different ways to solve more general multi-scale data integration problems.

CHEN, JINSONG↗

DOE OSTI2016

Bayesian Integration of multiscale environmental data

The software is designed for efficiently integrating large-size of multi-scale environmental data using the Bayesian framework. Suppose we need to estimate the spatial distribution of variable X with high spatial resolution. The available data include (1) direct measurements Z of the unknowns with high resolution in a subset of the spatial domain (small spatial coverage), (2) measurements C of the unknowns at the median scale, and (3) measurements A of the unknowns at the coarsest scale but with large spatial coverage. The goal is to estimate the unknowns at the fine grids by conditioning to all the available data. We first consider all the unknowns as random variables and estimate conditional probability distribution of those variables by conditioning to the limited high-resolution observations (Z). We then treat the estimated probability distribution as the prior distribution. Within the Bayesian framework, we combine the median and large-scale measurements (C and A) through likelihood functions. Since we assume that all the relevant multivariate distributions are Gaussian, the resulting posterior distribution is a multivariate Gaussian distribution. The developed software provides numerical solutions of the posterior probability distribution. The software can be extended in several different ways to solve more general multi-scale data integration problems.

CHEN, JINSONG↗

DOE OSTI2015

Definition and solution of a stochastic inverse problem for the Manning’s n parameter field in hydrodynamic models

The uncertainty in spatially heterogeneous Manning’s n fields is quantified using a novel formulation and numerical solution of stochastic inverse problems for physics-based models. The uncertainty is quantified in terms of a probability measure and the physics-based model considered here is the state-of-the-art ADCIRC model although the presented methodology applies to other hydrodynamic models. An accessible overview of the formulation and solution of the stochastic inverse problem in a mathematically rigorous framework based on measure theory is presented in this paper. Technical details that arise in practice by applying the framework to determine the Manning’s n parameter field in a shallow water equation model used for coastal hydrodynamics are presented and an efficient computational algorithm and open source software package are developed. A new notion of “condition” for the stochastic inverse problem is defined and analyzed as it relates to the computation of probabilities. Finally, this notion of condition is investigated to determine effective output quantities of interest of maximum water elevations to use for the inverse problem for the Manning’s n parameter and the effect on model predictions is analyzed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

Thermodynamic modeling of countercurrent chemical looping reverse water gas shift process for redox material screening

The reverse water gas shift (RWGS) reaction is a key pathway for CO 2 utilization, particularly within Power-to-X process chains aimed at sustainable fuel and chemical production. Countercurrent chemical looping (CL-RWGS) using non-stoichiometric oxides can overcome equilibrium limitations of conventional RWGS reactors, enabling significantly higher CO 2 conversions. However, modeling the limiting performance of such systems is challenging due to their multiphase nature and coupled spatial and temporal variation in chemical composition. In this work, we present a discretized batch equilibrium model that simulates CL-RWGS reactors as a series of localized equilibrium exchanges between gas and solid elements. The model is numerically stable, computationally efficient, and free of kinetic source terms, making it well-suited for parametric studies and system-level integration. It is validated against established convection–diffusion models and shown to predict reasonable upper bounds on experimental results. Application of the model to a range of oxygen carrier materials identifies cerium–zirconium solid solutions, particularly Ce 0.80 Zr 0.20 O 2 , as a promising class offering superior oxygen storage characteristics compared to state-of-the-art La 0.6 Sr 0.4 FeO 3 . This framework provides a robust platform for materials screening, reactor sizing, and performance optimization in chemical looping systems. The model implementation is available as open-source software to support further research and development.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

A Reference Implementation for a Quantum Message Passing Interface

Practical applications of quantum computing are currently limited by the number of qubits that can be set with reasonable fidelities for each system. Therefore, a distributed quantum computing system with multiple quantum computers coherently connected is highly demanding. To realize the internode communication of quantum information, the software interface, Quantum Message Passing Interface (QMPI), leveraging the framework built for classical MPI but taking advantage of quantum teleportation to communicate between different quantum nodes was proposed. In this project, we develop the QMPI with point-to-point and collective operations in Qiskit and characterize its performance by demonstrating the application implementations. Moreover, we developed a new technique for optimizing collective communication of the distributed quantum programs with Multi-Controlled Toffoli gates. This technique beats the state-of-the-art in terms of fidelity and the number of remote EPR pairs consumed in both simulations and experiments.

Shi, Yue↗

DOE OSTI2016

The Safe Guards Analysis Toolbox for Non-Proliferation Modeling

As nuclear technology becomes more widely available outside of nuclear weapon armed nations, the importance of preventing the illicit development of nuclear weapons has increased dramatically. A system of nuclear safeguards prevents proliferation; stopping the diversion of nuclear material from civilian facilities for the construction of nuclear weapons. These safeguards function through a combination of accountancy measurements that confirm the locations and amounts of nuclear material, and physical security at every nuclear facility. Safeguards Analysis (SGA) is a computational tool-kit developed using the MATLAB Simulink software suite that simulates a system of nuclear safeguards. The code allows users to examine current safeguards systems for weaknesses and to pinpoint the best locations for improvement. Developed as a modular framework, SGA does not directly model material flows, and relies on an outside code for this information. Instead, it represents a series of safeguards measurements that represent the values inspectors would see. Furthermore, SGA is designed to be modular in design, allowing the user to construct as complex or simple a model as needed: simulating an entire fuel-cycle comprising multiple facilities to a single measurement. SGA's use of outside codes for its material flow information makes it applicable to any model available to the user, as opposed to previous work that applied only to a single scenario. This paper discusses the initial development of SGA and the testing of these modules. The tests described in this paper demonstrate that the different pieces of SGA currently work as intended. Future work on the toolbox will develop and test SGA against a more realistic and complicated scenario using the various tools available in SGA. SGA currently has the pieces to perform analysis on safeguards systems, but needs to be tested on large, multi-MBA, systems to ensure the code is capable of handling such large models, to see the effect large models have on calculation speed, and if further work is needed to improve code efficiency. (authors)

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2015

Developing Uintah's Runtime System for Forthcoming Architectures

The need to solve ever-more complex science and engineering problems on computer architectures that are rapidly evolving poses considerable challenges for modern simulation frameworks and packages. While the decomposition of software into a programming model that generates a task-graph for execution by a runtime system make portability and performance possible, it also imposes considerable demands on that runtime system. Here, the challenge of meeting those demands for near-term and longer term systems in the context of the Uintah framework is considered in key areas such as support for data structures, tasks on heterogeneous architectures, performance portability, power management and designing for resilience by the use of replication based upon adaptive mesh refinement processes is addressed. Examples of techniques in these areas are used to illustrate performance improvements obtained for present large-scale systems and the needs of proposed systems considered.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

Towards a Verifiable Domain-Specific Language for Hardware-Accelerated Stencils

Defining a domain-specific language (DSL) that supports vector-calculus abstractions eases the porting of partial differential equation (PDE) solvers to specialized architectures. Sufficiently high-level abstractions empower users to express universal laws with sufficient generality that the laws must always hold true within their domain of validity. A broad class of PDE solvers employs stencil-based algorithms, the target domain of Berkeley Lab's stencil accelerator chip co-design project. First released as open-source in January 2026, the Formal software framework lays a foundation for defining an embedded DSL based on composable operators that implement mimetic numerical methods -- stencil algorithms that guarantee satisfaction of discrete versions of important vector calculus theorems. The Formal DSL will be the frontend to a new class of stencil-PDE accelerators developed jointly by LBNL, UHCL, and UC Berkeley through the DOE Competitive Portfolios for Computer Science Project. This offers the potential of an order of magnitude acceleration for this important category of computational methods to serve the DOE mission. Future work on the Formal DSL will facilitate software verification via type-safe templates that enable problem-specific correctness proofs relying upon generic function theory and carefully crafted unit tests.

Rouson, Damian↗

DOE OSTI2021

Geothermal Operational Optimization with Machine Learning

The Geothermal Operational Optimization with Machine Learning (GOOML) project has developed a generic and extensible component-based system modeling framework to study complex geothermal fields using a data-driven approach. Through building a digital twin of a geothermal steam field with the GOOML modeling framework, operators can analyze historical and forecasted power production, explore possible steam field configurations, and optimize real world operations, all in a cost-effective digital environment. The GOOML modeling software is based on a historical data-assimilation framework that uses first-principal thermodynamics to model steam field components using historical data, and a forecast framework that uses machine-learning-driven models of steam field components to predict future operations. This modeling framework creates countless new opportunities for digital exploration of steam field design and operations. To date, digital twins have been developed for several steam fields in New Zealand and the United States. These digital twins have been validated by comparing hindcast predictions against historical production data. Field design and operations have been explored using genetic optimization and reinforcement learning. Initial results show compelling and often surprising opportunities for improved design and operation of fields with 2 to 5 percent improvements in annual energy production. GOOML is driving a step-change in geothermal operations by applying state-of-the-art machine learning algorithms, comprehensive data analytics, and a first-of-its-kind intelligent geothermal systems model.

40 EE - Geothermal Technologies Office (EE-4G)↗

DOE OSTI2014

A Runtime Environment for Supporting Research in Resilient HPC System Software & Tools

The high-performance computing (HPC) community continues to increase the size and complexity of hardware platforms that support advanced scientific workloads. The runtime environment (RTE) is a crucial layer in the software stack for these large-scale systems. The RTE manages the interface between the operating system and the application running in parallel on the machine. The deployment of applications and tools on large-scale HPC computing systems requires the RTE to manage process creation in a scalable manner, support sparse connectivity, and provide fault tolerance. We have developed a new RTE that provides a basis for building distributed execution environments and developing tools for HPC to aid research in system software and resilience. This paper describes the software architecture of the Scalable runTime Component Infrastructure (STCI), which is intended to provide a complete infrastructure for scalable start-up and management of many processes in large-scale HPC systems. We highlight features of the current implementation, which is provided as a system library that allows developers to easily use and integrate STCI in their tools and/or applications. The motivation for this work has been to support ongoing research activities in fault-tolerance for large-scale systems. We discuss the advantages of the modular framework employed and describe two use cases that demonstrate its capabilities: (i) an alternate runtime for a Message Passing Interface (MPI) stack, and (ii) a distributed control and communication substrate for a fault-injection tool.

Computer Science↗

DOE OSTI2021

VTK-m User's' Guide (V.1.7)

High-performance computing relies on ever finer threading. Advances in processor technology include ever greater numbers of cores, hyperthreading, accelerators with integrated blocks of cores, and special vectorized instructions, all of which require more software parallelism to achieve peak performance. Traditional visualization solutions cannot support this extreme level of concurrency. Extreme scale systems require a new programming model and a fundamental change in how we design algorithms. To address these issues we created VTK-m: the visualization toolkit for multi-/many-core architectures. VTK-m supports a number of algorithms and the ability to design further algorithms through a top-down design with an emphasis on extreme parallelism. VTK-m also provides support for finding and building links across topologies, making it possible to perform operations that determine manifold surfaces, interpolate generated values, and find adjacencies. Although VTK-m provides a simplified high-level interface for programming, its template-based code removes the overhead of abstraction. VTK-m simplifies the development of parallel scientific visualization algorithms by providing a framework of supporting functionality that allows developers to focus on visualization operations. Consider the listings in Figure 1.1 that compares the size of the implementation for the Marching Cubes algorithm in VTK-m with the equivalent reference implementation in the CUDA software development kit. Because VTK-m internally manages the parallel distribution of work and data, the VTK-m implementation is shorter and easier to maintain. Additionally, VTK-m provides data abstractions not provided by other libraries that make code written in VTK-m more versatile.This book includes contributions from the VTK-m community including the VTK-m development team and the user community.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

The VTK-m Users' Guide (V.1.9)

High-performance computing relies on ever finer threading. Advances in processor technology include ever greater numbers of cores, hyperthreading, accelerators with integrated blocks of cores, and special vectorized instructions, all of which require more software parallelism to achieve peak performance. Traditional visualization solutions cannot support this extreme level of concurrency. Extreme scale systems require a new programming model and a fundamental change in how we design algorithms. To address these issues we created VTK-m: the visualization toolkit for multi-/many-core architectures. VTK-m supports a number of algorithms and the ability to design further algorithms through a top-down design with an emphasis on extreme parallelism. VTK-m also provides support for finding and building links across topologies, making it possible to perform operations that determine manifold surfaces, interpolate generated values, and find adjacencies. Although VTK-m provides a simplified high-level interface for programming, its template-based code removes the overhead of abstraction. VTK-m simplifies the development of parallel scientific visualization algorithms by providing a framework of supporting functionality that allows developers to focus on visualization operations. Consider the listings in Figure 1.1 that compares the size of the implementation for the Marching Cubes algorithm in VTK-m with the equivalent reference implementation in the CUDA software development kit. Because VTK-m internally manages the parallel distribution of work and data, the VTK-m implementation is shorter and easier to maintain. Additionally, VTK-m provides data abstractions not provided by other libraries that make code written in VTK-m more versatile.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

The VTK-m Users' Guide (V.2.0)

High-performance computing relies on ever finer threading. Advances in processor technology include ever greater numbers of cores, hyperthreading, accelerators with integrated blocks of cores, and special vectorized instructions, all of which require more software parallelism to achieve peak performance. Traditional visualization solutions cannot support this extreme level of concurrency. Extreme scale systems require a new programming model and a fundamental change in how we design algorithms. To address these issues we created VTK-m: the visualization toolkit for multi-/many-core architectures. VTK-m supports a number of algorithms and the ability to design further algorithms through a top-down design with an emphasis on extreme parallelism. VTK-m also provides support for finding and building links across topologies, making it possible to perform operations that determine manifold surfaces, interpolate generated values, and find adjacencies. Although VTK-m provides a simplified high-level interface for programming, its template-based code removes the overhead of abstraction. VTK-m simplifies the development of parallel scientific visualization algorithms by providing a framework of supporting functionality that allows developers to focus on visualization operations. Consider the listings in Figure 1.1 that compares the size of the implementation for the Marching Cubes algorithm in VTK-m with the equivalent reference implementation in the CUDA software development kit. Because VTK-m internally manages the parallel distribution of work and data, the VTK-m implementation is shorter and easier to maintain. Additionally, VTK-m provides data abstractions not provided by other libraries that make code written in VTK-m more versatile.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2016

rplexos [SWR-14-19]

rplexos is a R (statistical software framework; more? details below) package that processes and facilitates analysis of solution from PLEXOS. PLEXOS is a production cost model that is utilize to simulate the behavior of the power.systems and is developed and commercialized by Energy Exomplar. The intention is to make rptexos open-source so other PLEXOS users can utilize it.

Ibanez, Eduardo↗