Results for “execution models” — Page 3

DOE OSTI2019

The Importance of Interflow to Groundwater Recharge in a Snowmelt-Dominated, Alpine Watershed, Geophysical Research Letters: Modeling and Data Package

This data package contains hydrologic modeling input and output files for the East River (ER_PRMS.zip) and Copper Creek (CC_GSFLOW.zip) for water years 1987 to 2018. These data were used to generate simulated results published in Geophysical Research Letters (Carroll et al., 2019) describing the importance of interflow in generating groundwater recharge in the upper subalpine. The East River and Copper Creek are part of the Watershed Function Scientific Focus Area (WFSFA) located in the Upper Colorado River Basin, United States. The hydrologic model uses the U.S. Geological Survey coupled groundwater and surface water flow model (GSFLOW). Input and output files are askii format, while the model executable (gsflow.exe), source code, example problems and documentation describing model files is provided at the following U.S. Geological Survey website. https://www.usgs.gov/software/coupled-ground-water-and-surface-water-flow-model-gsflow. GSFLOW executables are compiled for either Microsoft Windows or Linux operating systems.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2015

Advanced simulation capability for environmental management, integrated tool-sets and simulator to enhance public communication - 15186

The U.S. Department of Energy (US DOE) Office of Environmental Management (EM), Office of Soil and Groundwater Remediation, is supporting multi-laboratory development of the Advanced Simulation Capability for Environmental Management (ASCEM). ASCEM is an open source and modular computing framework that incorporates new advances and tools for predicting contaminant fate and transport in natural and engineered systems. ASCEM facilitates transparent, efficient and integrated approaches to modeling and site characterization, and provides robust and standardized assessments of performance and risk for EM cleanup and closure activities. Site subsurface simulation modeling and performance assessments are complex and involve sensitivity evaluations and uncertainty quantification to better understand the risks at a site. The ASCEM tool-set was designed in close collaboration with the sites and other potential end-users (both the public and regulators) to allow better communication and understanding of these complex modeling efforts. ASCEM's integrated tool-sets provide a user interface and tools for managing work-flows, including conceptual model development, management of data and metadata for model input, sensitivity analysis, model calibration and uncertainty analysis, model execution on diverse computational platforms, and processing of model output, including visualization. The hierarchical and modular design of ASCEM HPC simulator Amanzi easily lends itself to translating this conceptual model of a site into a numerical model that can easily be spatially and temporally discretized to run on the HPC simulator. Together this integrated work-flow allows for a seamless and integrated analysis tracking all provenance information and modeling uncertainties. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2018

Improved Nested Sampling and Surrogate-Enabled Comparison With Other Marginal Likelihood Estimators

Estimating marginal likelihood is of central importance to Bayesian model selection and/or model averaging. The nested sampling method has been recently used together with the Metropolis-Hasting (M-H) sampling algorithm for estimating marginal likelihood. This study develops a new implementation of nested sampling by using the DiffeRential Evolution Adaptive Metropolis (DREAMzs) sampling algorithm. The two implementations of nested sampling are evaluated for four models of a synthetic groundwater flow modeling. The DREAMzs-based nested sampling outperforms the M-H-based nested sampling in terms of their accuracy, convergence, efficiency, and stability, which is attributed to the fact that DREAMzs is more robust than M-H for parameter sampling. The nested sampling method is also compared with four other methods (arithmetic mean, harmonic mean, stabilized harmonic mean, and thermodynamic integration) commonly used for estimating marginal likelihood and posterior probability of the four groundwater models. The comparative study requires hundreds of millions of model executions, which would not be possible without using surrogate models to replace the original models. Using the arithmetic mean estimator as the reference, the comparison reveals that thermodynamic integration outperforms nested sampling in terms of accuracy and stability, whereas nested sampling is more computationally efficient to reach to convergence. Here, the harmonic mean and stabilized harmonic mean methods give the worst marginal likelihood estimation. Accurate marginal likelihood estimation is important for accurate estimation of posterior model probability and better predictive performance of Bayesian model averaging.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2014

Methods, media, and systems for detecting attack on a digital processing device

Methods, media, and systems for detecting attack are provided. In some embodiments, the methods include: comparing at least part of a document to a static detection model; determining whether attacking code is included in the document based on the comparison of the document to the static detection model; executing at least part of the document; determining whether attacking code is included in the document based on the execution of the at least part of the document; and if attacking code is determined to be included in the document based on at least one of the comparison of the document to the static detection model and the execution of the at least part of the document, reporting the presence of an attack. In some embodiments, the methods include: selecting a data segment in at least one portion of an electronic document; determining whether the arbitrarily selected data segment can be altered without causing the electronic document to result in an error when processed by a corresponding program; in response to determining that the arbitrarily selected data segment can be altered, arbitrarily altering the data segment in the at least one portion of the electronic document to produce an altered electronic document; and determining whether the corresponding program produces an error state when the altered electronic document is processed by the corresponding program.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

Methods, media, and systems for detecting attack on a digital processing device

Methods, media, and systems for detecting attack are provided. In some embodiments, the methods include: comparing at least part of a document to a static detection model; determining whether attacking code is included in the document based on the comparison of the document to the static detection model; executing at least part of the document; determining whether attacking code is included in the document based on the execution of the at least part of the document; and if attacking code is determined to be included in the document based on at least one of the comparison of the document to the static detection model and the execution of the at least part of the document, reporting the presence of an attack. In some embodiments, the methods include: selecting a data segment in at least one portion of an electronic document; determining whether the arbitrarily selected data segment can be altered without causing the electronic document to result in an error when processed by a corresponding program; in response to determining that the arbitrarily selected data segment can be altered, arbitrarily altering the data segment in the at least one portion of the electronic document to produce an altered electronic document; and determining whether the corresponding program produces an error state when the altered electronic document is processed by the corresponding program.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

Methods, media, and systems for detecting attack on a digital processing device

Methods, media, and systems for detecting attack are provided. In some embodiments, the methods include: comparing at least part of a document to a static detection model; determining whether attacking code is included in the document based on the comparison of the document to the static detection model; executing at least part of the document; determining whether attacking code is included in the document based on the execution of the at least part of the document; and if attacking code is determined to be included in the document based on at least one of the comparison of the document to the static detection model and the execution of the at least part of the document, reporting the presence of an attack. In some embodiments, the methods include: selecting a data segment in at least one portion of an electronic document; determining whether the arbitrarily selected data segment can be altered without causing the electronic document to result in an error when processed by a corresponding program; in response to determining that the arbitrarily selected data segment can be altered, arbitrarily altering the data segment in the at least one portion of the electronic document to produce an altered electronic document; and determining whether the corresponding program produces an error state when the altered electronic document is processed by the corresponding program.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Methods, media, and systems for detecting attack on a digital processing device

Methods, media, and systems for detecting attack are provided. In some embodiments, the methods include: comparing at least part of a document to a static detection model; determining whether attacking code is included in the document based on the comparison of the document to the static detection model; executing at least part of the document; determining whether attacking code is included in the document based on the execution of the at least part of the document; and if attacking code is determined to be included in the document based on at least one of the comparison of the document to the static detection model and the execution of the at least part of the document, reporting the presence of an attack. In some embodiments, the methods include: selecting a data segment in at least one portion of an electronic document; determining whether the arbitrarily selected data segment can be altered without causing the electronic document to result in an error when processed by a corresponding program; in response to determining that the arbitrarily selected data segment can be altered, arbitrarily altering the data segment in the at least one portion of the electronic document to produce an altered electronic document; and determining whether the corresponding program produces an error state when the altered electronic document is processed by the corresponding program.

Stolfo, Salvatore J.↗

DOE OSTI2023

Impedance‐matching model‐in‐the‐loop simulation

Abstract Impedance matching is a novel approach to executing model‐in‐the‐loop (MIL) simulations. The concept, key features, and sample applications of this approach have been described in a series of publications. This paper advances theory and implementation for impedance‐matching MIL by: (1) developing a feedback linearization technique for implementing MIL for nonlinear virtual systems, (2) systematically characterizing MIL performance‐stability tradeoffs using three design‐oriented criteria—performance: defined as closeness of the controlled‐actuator impedance to the virtual‐boundary impedance;control effort: low controller response at high frequencies to reduce sensitivity to measurement noise and uncertainties in the actuator model; andstability: pursued using passivity of the controlled actuator system, and (3) assessing, through experimentation, the robustness of two ways to estimate feedback reaction force from the test article. These fundamental advancements to MIL are described using a one‐dimensional configuration consisting of a fluid‐filled cylindrical vessel as the physical test article and a uniaxial hydraulic shake table controlled to imitate different seismic isolation systems at the base of the vessel.

Engineering↗

DOE OSTI2022

Predicting failure parameters of semiconductor devices subjected to stress conditions

A method for predicting failure parameters of semiconductor devices can include receiving a set of data that includes (i) characteristics of a sample semiconductor device, and (ii) parameters characterizing a stress condition. The method further includes extracting a plurality of feature values from the set of data and inputting the plurality of feature values into a trained model executing on the one or more processors, wherein the trained model is configured according to an artificial intelligence (AI) algorithm based on a previous plurality of feature values, and wherein the trained model is operable to output a failure prediction based on the plurality of feature values. Further, the method includes generating, via the trained model, a predicted failure parameter of the sample semiconductor device due to the stress condition.

Ahmed, Moinuddin↗

DOE OSTI2022

Parallel simulated annealing with embedded machine learning and multifidelity models for reactor core design

This paper presents extensions to a penalty-free, parallel simulated annealing (SA) algorithm for multi-constrained combinatorial optimization with the aim of embedding multi-fidelity physics models into the annealing procedure. The method uses a low-fidelity, quickly executing model for rapid design space exploration and a high-fidelity model for detailed constraint resolution and on-the-fly bias correction. Machine learning models updated within the annealing procedure were used to bridge the gap between the multi-fidelity models, which led to accurate rapid exploration and efficient detailed constraint resolution. A software implementation of the new multi-fidelity optimization methods, called ML-PSA, was demonstrated on a continuous multi-fidelity optimization problem and a constrained combinatorial PWR lattice design problem. These problems demonstrate some of the features, parallel performance characteristics, and extensible nature of the multi-fidelity SA methods. This paper shows that the developed software and procedure are a general optimization tool that can be applied to a wide variety of scientific and engineering design optimization applications. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2021

Improved natural convection heat transfer correlations for reactor cavity cooling systems of high-temperature gas-cooled reactors: From computational fluid dynamics to Pronghorn

The Reactor Cavity Cooling System (RCCS) is a common reactor safety system in High Temperature Gas Cooled Reactors (HTGR) that removes heat from the Reactor Pressure Vessel (RPV) by radiation ($\sim 80\%$) and natural convection ($\sim 20\%$). For simulation of accident scenarios of HTGRs, intermediate fidelity and system codes models must be employed for limiting the models' execution time. While accurate quantification of the radiative heat transfer is available in these models, quantification of natural convection must rely on correlations of questionable accuracy for the Nusselt number. Commonly used correlations are based in experiments performed at low Rayleigh numbers and/or using isothermal walls in simplified geometries. Here, this work improves on the accuracy of natural convection heat transfer correlations in support for HTGR designs. These correlations include both local and average Nusselt numbers as a function of the global Rayleigh number, the local Rayleigh number, and the temperature profile at the hot wall of the RCCS. In the absence of dedicated experiments and the difficulty of performing high-fidelity simulations at realistic Rayleigh numbers, the data to fit the correlations are generated with Computational Fluid Dynamics (CFD) using Reynolds Averaged Navier-Stokes (RANS) models. First, a careful selection of the RANS turbulence model is performed by comparing the results obtained with different RANS turbulence models against high fidelity simulations of natural convection at $Ra \ 1 \times 10^{11}$ in a rectangular cavity. Next, the selected model is used to perform simulations of an HTGR cavity at different high Rayleigh numbers $\in [6.1 \times 10^{11},2.9 \times 10^{13}]$ to encompass several HTGR designs, assuming an isothermal RPV wall. The results obtained are used to fit a correlation for the average and space-varying Nusselt number as a function of the global and local Rayleigh numbers via a sparsity-promoting least-squares method. The selected RANS model is then used to perform simulations of a PBMR 400 HTGR cavity with the temperature profiles at the RPV wall obtained during a PLOFC transient. We use the results obtained to fit a temperature-dependent correction to the space-varying Nusselt number with the sparsity-promoting least-squares method. The results obtained in this work, enable system-level codes, such as Pronghorn, to perform higher-fidelity simulations of the heat exchange process in the RCCS while still maintaining a low computational cost.

42 ENGINEERING↗

DOE OSTI2014

Petascale Hierarchical Modeling VIA Parallel Execution

The research allows more effective model building. By allowing researchers to fit complex models to large datasets in a scalable manner, our algorithms and software enable more effective scientific research. In the new area of “big data,” it is often necessary to fit “big models” to adjust for systematic differences between sample and population. For this task, scalable and efficient model-fitting tools are needed, and these have been achieved with our new Hamiltonian Monte Carlo algorithm, the no-U-turn sampler, and our new C++ program, Stan. In layman’s terms, our research enables researchers to create improved mathematical modes for large and complex systems.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2015

A Collaborative Extensible User Environment for Simulation and Knowledge Management

In scientific simulation, scientists use measured data to create numerical models, execute simulations and analyze results from advanced simulators executing on high performance computing platforms. This process usually requires a team of scientists collaborating on data collection, model creation and analysis, and on authorship of publications and data. This paper shows that scientific teams can benefit from a user environment called Akuna that permits subsurface scientists in disparate locations to collaborate on numerical modeling and analysis projects. The Akuna user environment is built on the Velo framework that provides both a rich client environment for conducting and analyzing simulations and a Web environment for data sharing and annotation. Akuna is an extensible toolset that integrates with Velo, and is designed to support any type of simulator. This is achieved through data-driven user interface generation, use of a customizable knowledge management platform, and an extensible framework for simulation execution, monitoring and analysis. This paper describes how the customized Velo content management system and the Akuna toolset are used to integrate and enhance an effective collaborative research and application environment. The extensible architecture of Akuna is also described and demonstrates its usage for creation and execution of a 3D subsurface simulation.

collaborative science tools↗

DOE OSTI2015

An Update on Improvements to NiCE Support for PROTEUS

The Department of Energy Office of Nuclear Energy's Nuclear Energy Advanced Modeling and Simulation (NEAMS) program has supported the development of the NEAMS Integrated Computational Environment (NiCE), a modeling and simulation workflow environment that provides services and plugins to facilitate tasks such as code execution, model input construction, visualization, and data analysis. This report details the development of workflows for the reactor core neutronics application, PROTEUS. This advanced neutronics application (primarily developed at Argonne National Laboratory) aims to improve nuclear reactor design and analysis by providing an extensible and massively parallel, finite-element solver for current and advanced reactor fuel neutronics modeling. The integration of PROTEUS-specific tools into NiCE is intended to make the advanced capabilities that PROTEUS provides more accessible to the nuclear energy research and development community. This report will detail the work done to improve existing PROTEUS workflow support in NiCE. We will demonstrate and discuss these improvements, including the development of flexible IO services, an improved interface for input generation, and the addition of advanced Fortran development tools natively in the platform.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2026

Data from: "Towards CONUS-Wide ML-Augmented Conceptually-Interpretable Modeling of Catchment-Scale Precipitation-Storage-Runoff Dynamics"

This data package was generated to support the manuscript “Towards CONUS-Wide Machine Learning-Augmented Conceptually Interpretable Modeling of Catchment-Scale Precipitation-Storage-Runoff Dynamics.” It provides input files, model outputs, plotting data, scripts, notebooks, and documentation used to develop, evaluate, and reproduce Mass-Conserving Perceptron (MCP)-based hydrologic modeling experiments across 513 selected Catchment Attributes and Meteorology for Large-sample Studies in the United States (CAMELS-US) basins. The files are organized by modeling component and analysis purpose, including rainfall–runoff experiments, snow module experiments, coupled hydrologic-snow experiments, Long Short-Term Memory (LSTM) benchmark results, model skill metrics, initialization and epoch records, cell-state normalization files, Akaike Information Criterion (AIC)-based model comparison files, and data used to generate manuscript figures. Tabular files can be opened using standard spreadsheet software or Python/R data-analysis tools. Python scripts, Jupyter notebooks, and selected MATLAB scripts are included for model execution, postprocessing, plotting, and statistical analysis. Quality assurance and quality control were conducted through the source-data selection and modeling workflow. Meteorological forcing, streamflow, and static catchment attributes were derived from the CAMELS-US dataset, and snow water equivalent data were derived from the University of Arizona (UA) Snow Water Equivalent dataset. Selected basins and time periods were screened during the associated research workflow to avoid missing observations or poor-quality cases. Static geospatial features were processed primarily using Quantum Geographic Information System (QGIS) and Geospatial Data Abstraction Library (GDAL) workflows. Additional details are provided in the associated manuscript and documentation.

ESS-DIVE CSV File Formatting Guidelines Reporting ↗

DOE OSTI2018

Juggler: a dependence-aware task-based execution framework for GPUs

Scientific applications with single instruction, multiple data (SIMD) computations show considerable performance improvements when run on today's graphics processing units (GPUs). However, the existence of data dependences across thread blocks may significantly impact the speedup by requiring global synchronization across multiprocessors (SMs) inside the GPU. To efficiently run applications with interblock data dependences, we need fine-granular task-based execution models that will treat SMs inside a GPU as stand-alone parallel processing units. Such a scheme will enable faster execution by utilizing all internal computation elements inside the GPU and eliminating unnecessary waits during device-wide global barriers.In this paper, we propose Juggler, a task-based execution scheme for GPU workloads with data dependences. The Juggler framework takes applications embedding OpenMP 4.5 tasks as input and executes them on the GPU via an efficient in-device runtime, hence eliminating the need for kernel-wide global synchronization. Juggler requires no or little modification to the source code, and once launched, the runtime entirely runs on the GPU without relying on the host through the entire execution. We have evaluated Juggler on an NVIDIA Tesla P100 GPU and obtained up to 31% performance improvement against global barrier based implementation, with minimal runtime overhead.

Belviranli, Mehmet E.↗

DOE OSTI2022

A Framework for Neural Network Inference on FPGA-Centric SmartNICs

FPGA-based SmartNICs offer great potential to significantly improve the performance of high-performance computing and warehouse data processing by tightly coupling support for reconfigurable data-intensive computation with cross-node communication, thereby mitigating the von Neumann bottleneck. Existing work, however, has been generally been limited in that it assumes an accelerator model where kernels are offloaded to SmartNICs, but most control tasks are left to the CPUs. This leads to frequent waiting, inferior performance, and scaling challenges. In this work, we propose a new distributive data-centric computing framework, named FCsN, for reconfigurable SmartNIC-based systems. Through a lightweight task circulation execution model and its implementation architecture, FCsN allows the complete detaching of kernel execution, control logic, system scheduling, and network communication to the SmarNICs. This boosts performance by: (i) avoiding the control dependency with CPUs and (ii) supporting streaming kernel execution and network communication at line rate and in a very fine-grained manner. We demonstrate the efficiency and flexibility of FCsN using various types of neural network applications including graph neural networks; as these last are both irregular and data intensive they offer an especially robust demonstration. Evaluations using commonly-used neural network models and graph datasets show that a system with the support of FCsN can achieve, on average, 144 speedups over the MPI-based standard CPU baselines.

Guo, Anqi↗

DOE OSTI2014

Pollutant Exposures from Natural Gas Cooking Burners: A Simulation-Based Assessment for Southern California

Background: Residential natural gas cooking burners (NGCBs) can emit substantial quantities of pollutants, and they are typically used without venting range hoods. Objective: We quantified pollutant concentrations and occupant exposures resulting from NGCB use in California homes. Methods: A mass-balance model was applied to estimate time-dependent pollutant concentrations throughout homes in Southern California and the exposure concentrations experienced by individual occupants. We estimated nitrogen dioxide (NO2), carbon monoxide (CO), and formaldehyde (HCHO) concentrations for 1 week each in summer and winter for a representative sample of Southern California homes. The model simulated pollutant emissions from NGCBs as well as NO2 and CO entry from outdoors, dilution throughout the home, and removal by ventilation and deposition. Residence characteristics and outdoor concentrations of NO2 and CO were obtained from available databases. We inferred ventilation rates, occupancy patterns, and burner use from household characteristics. We also explored proximity to the burner(s) and the benefits of using venting range hoods. Replicate model executions using independently generated sets of stochastic variable values yielded estimated pollutant concentration distributions with geometric means varying by < 10%. Results: The simulation model estimated that—in homes using NGCBs without coincident use of venting range hoods—62%, 9%, and 53% of occupants are routinely exposed to NO2, CO, and HCHO levels that exceed acute health-based standards and guidelines. NGCB use increased the sample median of the highest simulated 1-hr indoor concentrations by 100, 3,000, and 20 ppb for NO2, CO, and HCHO, respectively. Conclusions: Reducing pollutant exposures from NGCBs should be a public health priority. Simulation results suggest that regular use of even moderately effective venting range hoods would dramatically reduce the percentage of homes in which concentrations exceed health-based standards.

54 ENVIRONMENTAL SCIENCES↗