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At least 1,693 records · Page 94

All sources NASA NTRS DOE OSTI

DOE OSTI2021

RAPID

Parallel computer code for the simulator for dynamics of power systems which has the capability to initiate the system and create different faults for the dynamic analysis. The code is based on time-parallel method (Parareal) with Adaptive Method Reduction (AMR). The coarse solvers for the Parareal algorithm include several Semi Analytical Solution methods. Also, Integrated simulation of coupled transmission and distribution systems can be studied.

Simunovic, Srdjan [Oak Ridge National Lab. (ORNL),↗

DOE OSTI2020

Can the GPM IMERG Final Product Accurately Represent MCSs’ Precipitation Characteristics over the Central and Eastern United States?

Mesoscale convective systems (MCSs) play an important role in water and energy cycles as they produce heavy rainfall and modify the radiative profile in the tropics and midlatitudes. An accurate representation of MCSs’ rainfall is therefore crucial in understanding their impact on the climate system. The V06B Integrated Multisatellite Retrievals from Global Precipitation Measurement (IMERG) half-hourly precipitation final product is a useful tool to study the precipitation characteristics of MCSs because of its global coverage and fine spatiotemporal resolutions. However, errors and uncertainties in IMERG should be quantified before applying it to hydrology and climate applications. This study evaluates IMERG performance on capturing and detecting MCSs’ precipitation in the central and eastern United States during a 3-yr study period against the radar-based Stage IV product. The tracked MCSs are divided into four seasons and are analyzed separately for both datasets. IMERG shows a wet bias in total precipitation but a dry bias in hourly mean precipitation during all seasons due to the false classification of nonprecipitating pixels as precipitating. These false alarm events are possibly caused by evaporation under the cloud base or the misrepresentation of MCS cold anvil regions as precipitating clouds by the algorithm. IMERG agrees reasonably well with Stage IV in terms of the seasonal spatial distribution and diurnal cycle of MCSs precipitation. A relative humidity (RH)-based correction has been applied to the IMERG precipitation product, which helps reduce the number of false alarm pixels and improves the overall performance of IMERG with respect to Stage IV.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Refining HPCToolkit for application performance analysis at exascale

As part of the US Department of Energy’s Exascale Computing Project (ECP), Rice University has been refining its HPCToolkit performance tools to better support measurement and analysis of applications executing on exascale supercomputers. To efficiently collect performance measurements of GPU-accelerated applications, HPCToolkit employs novel non-blocking data structures to communicate performance measurements between tool threads and application threads. To attribute performance information in detail to source lines, loop nests, and inlined call chains, HPCToolkit performs parallel analysis of large CPU and GPU binaries involved in the execution of an exascale application to rapidly recover mappings between machine instructions and source code. To analyze terabytes of performance measurements gathered during executions at exascale, HPCToolkit employs distributed-memory parallelism, multithreading, sparse data structures, and out-of-core streaming analysis algorithms. To support interactive exploration of profiles up to terabytes in size, HPCToolkit’s hpcviewer graphical user interface uses out-of-core methods to visualize performance data. The result of these efforts is that HPCToolkit now supports collection, analysis, and presentation of profiles and traces of GPU-accelerated applications at exascale. These improvements have enabled HPCToolkit to efficiently measure, analyze and explore terabytes of performance data for executions using as many as 64K MPI ranks and 64K GPU tiles on ORNL’s Frontier supercomputer. HPCToolkit’s support for measurement and analysis of GPU-accelerated applications has been employed to study a collection of open-science applications developed as part of ECP. This paper reports on these experiences, which provided insight into opportunities for tuning applications, strengths and weaknesses of HPCToolkit itself, as well as unexpected behaviors in executions at exascale.

Adhianto, Laksono↗

DOE OSTI2018

Direct binary search for improved coherent beam shaping and optical differentiation wavefront sensing

Spatially dithered distributions of binary amplitude pixels are optimized using a full direct binary search taking into account the experimental configuration for amplitude modulation of coherent waves. This design process is shown to yield a significant reduction of the noise induced by binarization and pixelation over the region of interest. In this study, we demonstrate this approach for beam shaping and optical differentiation wavefront sensing, where the region of interest is in an image plane of the pixel distribution and in the far field of the pixel distribution, respectively. Lastly, the observed reduction in error compared to a standard error diffusion algorithm is significant for both applications because it improves performance without the tighter fabrication tolerance and cost associated with smaller pixels.

47 OTHER INSTRUMENTATION↗

DOE OSTI2017

Image-based model of the spectrin cytoskeleton for red blood cell simulation

We simulate deformable red blood cells in the microcirculation using the immersed boundary method with a cytoskeletal model that incorporates structural details revealed by tomographic images. The elasticity of red blood cells is known to be supplied by both their lipid bilayer membranes, which resist bending and local changes in area, and their cytoskeletons, which resist in-plane shear. The cytoskeleton consists of spectrin tetramers that are tethered to the lipid bilayer by ankyrin and by actin-based junctional complexes. We model the cytoskeleton as a random geometric graph, with nodes corresponding to junctional complexes and with edges corresponding to spectrin tetramers such that the edge lengths are given by the end-to-end distances between nodes. The statistical properties of this graph are based on distributions gathered from three-dimensional tomographic images of the cytoskeleton by a segmentation algorithm. We show that the elastic response of our model cytoskeleton, in which the spectrin polymers are treated as entropic springs, is in good agreement with the experimentally measured shear modulus. By simulating red blood cells in flow with the immersed boundary method, we compare this discrete cytoskeletal model to an existing continuum model and predict the extent to which dynamic spectrin network connectivity can protect against failure in the case of a red cell subjected to an applied strain. As a result, the methods presented here could form the basis of disease- and patient-specific computational studies of hereditary diseases affecting the red cell cytoskeleton.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Stopping criteria for ending autonomous, single detector radiological source searches

While the localization of radiological sources has traditionally been handled with statistical algorithms, such a task can be augmented with advanced machine learning methodologies. The combination of deep and reinforcement learning has provided learning-based navigation to autonomous, single-detector, mobile systems. However, these approaches lacked the capacity to terminate a surveying/search task without outside influence of an operator or perfect knowledge of source location (defeating the purpose of such a system). Two stopping criteria are investigated in this work for a machine learning navigated system: one based upon Bayesian and maximum likelihood estimation (MLE) strategies commonly used in source localization, and a second providing the navigational machine learning network with a “stop search” action. A convolutional neural network was trained via reinforcement learning in a 10 m × 10 m simulated environment to navigate a randomly placed detector-agent to a randomly placed source of varied strength (stopping with perfect knowledge during training). The network agent could move in one of four directions (up, down, left, right) after taking a 1 s count measurement at the current location. During testing, the stopping criteria for this navigational algorithm was based upon a Bayesian likelihood estimation technique of source presence, updating this likelihood after each step, and terminating once the confidence of the source being in a single location exceeded 0.9. A second network was trained and tested with similar architecture as the previous but which contained a fifth action: for self-stopping. The accuracy and speed of localization with set detector and source initializations were compared over 50 trials of MLE-Bayesian approach and 1000 trials of the CNN with self-stopping. The statistical stopping condition yielded a median localization error of ~1.41 m and median localization speed of 12 steps. The machine learning stopping condition yielded a median localization error of 0 m and median localization speed of 17 steps. This work demonstrated two stopping criteria available to a machine learning guided, source localization system.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DOE OSTI2022

Controlled precision QUBO-based algorithm to compute eigenvectors of symmetric matrices

We describe an algorithm to compute the extremal eigenvalues and corresponding eigenvectors of a symmetric matrix which is based on solving a sequence of Quadratic Binary Optimization problems. This algorithm is robust across many different classes of symmetric matrices; It can compute the eigenvector/eigenvalue pair to essentially any arbitrary precision, and with minor modifications, can also solve the generalized eigenvalue problem. Performance is analyzed on small random matrices and selected larger matrices from practical applications.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

"Sintering" Models and In-Situ Experiments: Data Assimilation for Microstructure Prediction in SLS Additive Manufacturing of Nylon Components

Selective laser sintering methods are workhorses for additively manufacturing polymer-based components. The ease of rapid prototyping also means it is easy to produce illicit components. It is necessary to have a data-calibrated in-situ physical model of the build process in order to predict expected and defective microstructure characteristics that inform component provenance. Toward this end, sintering models are calibrated and characteristics such as component defects are explored. This is accomplished by assimilating multiple data streams, imaging analysis, and computational model predictions in an adaptive Bayesian parameter estimation algorithm. From these data sources, along with a phase-field model, bulk porosity distributions are inferred. Model parameters are constrained to physically-relevant search directions by sensitivity analysis, and then matched to predictions using adaptive sampling. Using this feedback loop, data-constrained estimates of sintering model parameters along with uncertainty bounds are obtained.

3D printing, Additive Manufacturing, polymer, sint↗

DOE OSTI2018

Long-Term Variability of Soil Moisture in the Southern Sierra: Measurement and Prediction

Using 6 yr (Water Year [WY] 2009–WY 2014) of hourly in situ measurements from a spatially distributed water-balance cluster, we quantified the long-term accuracy of an algorithm used to predict spatial patterns of depth-integrated soil-water storage within the rain–snow transition zone of the southern Sierra Nevada. The algorithm—the multivariate, non-parametric regression-tree estimator Random Forest—was used to predict soil-water storage based on a combination of attributes at each instrument cluster (soil texture, topographic wetness index, elevation, northness, and canopy cover). Out-of-bag R 2 (similar to cross-validation for Random Forest) was used to quantify the accuracy of the estimator for unobserved data. Accuracy was consistently high during the wet-up, snow-cover, and early recession periods of average and wet years. The accuracy declined at the end of a 3-yr dry period, and the relative rank of the independent variables in the model shifted. Soil texture was the highest-ranked independent variable across all years, followed by elevation and northness. Topographic wetness increased in importance during dry periods. Northness exhibited high importance during the wet-up and early recession periods of most water years. As a result, during dry years, the importance of elevation declined. In dry years, notable differences in soil-water storage at each depth include lower-than-average storage in the deeper regolith at the beginning of the water year and lower storage in near-surface layers during the winter resulting from transient snow cover.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2017

Accurate Characterization of Real Networks from Inaccurate Measurements

Our nation's dependence on information networks makes it vital to anticipate disruptions or find weaknesses in these networks. But networks like the Internet are vast, distributed, and there is no mechanism to completely collect their structure. We are restricted to specific data collection schemes (like traceroute samples from router interfaces) that examine tiny portions of such a network. It has been empirically documented and theoretically proven that these measurements have significant biases, and direct inferences from them will be wrong. But these data collection mechanisms have limited flexibility and cannot be easily modified. Moreover, in many applications there are limits on how much data can be collected. How do we make accurate inferences of network properties with biased and limited measurements? The general problem this report deals with is how to work with incompletely observed networks. We will present several different approaches to this problem. First we will present an approach to estimate the degree distribution of a graph by sampling only a small portion of the vertices. This algorithm provides provably accurate results with sublinear samples. An alternative approach would be to try to enhance the information in the by selective collecting new information by probing for neighbors of a vertex or presence of individual edges. A different setting for working with incomplete arises when we have full access to local information, but do not have any global version of the graph. Can we still identify critical nodes in such a graph? We present an approach to identify such nodes efficiently. Finally, how can we put these ideas together to identify the structure of a network? We present an approach that can complement the existing approaches for network mapping. We start with an estimate of network structure based on existing network mapping methods. Then we find a critical router in the network, use the traffic through this network to selectively collect new data to enhance our prediction.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Integrated End-to-end Performance Prediction and Diagnosis for Extreme Scientific Workflows

This report details recent progress for the ASCR funded project “Integrated End-to-end Performance Prediction and Diagnosis for Extreme Scientific Workflows”. We refer to the project as IPPD/2, reflecting the 2017 renewal under expanded scope and partners In IPPD/2, we increased our research scope to include data motion. We are focusing on three major aspects: a) observe how data is generated, distributed, and used; b) analyze how data is (repeatedly) consumed with a focus both on repeated patterns and anomalies; and c) explore how to optimize data motion. This new work on data motion will augment and complement IPPD/2’s research that focused on the computational aspects of tasks. We leverage and extend our existing tools and demonstrate our work on the Belle II workflow suite as well as on workflows from NSLS-II. The highlights of our work are as follows: Provenance for Workflows: Provenance is used to provide information enabling quality control, re-run computational workflows, and reproduce results. IPPD/2 has been building a scalable provenance management system that enables the capture of provenance from the high-level workflow through all relevant system levels in one integrated environment. Leveraging this work, our recent efforts have included using provenance as an enabling technique. Workload characterization: Leveraging provenance and analysis, we characterize data movement within network, storage, and memory over a variety of workloads. This characterization enables an understanding by performance analysts and application developers of the range of behaviors that could be expected. Performance Prediction for Workflows: The goal of modeling distributed workflows is to understand performance bottlenecks and enable more intelligent task scheduling to optimize selected metrics of interest (e.g., task throughput or output data rate). IPPD/2 has utilized both analytical and AI/ML modeling methodologies for performance modeling. Advanced Scheduling and Fault Modeling for Workflows: Scheduling of large-scale scientific workflows on geographically distributed resources is a challenging problem. To improve workflow throughput, we combined novel scheduling algorithms with task predictions from performance modeling and fault modeling. Dynamically Alleviating Bottlenecks in Workflows: Exploiting our provenance, analysis, and modeling efforts, we have explored and developed several techniques for dynamically detecting and alleviating bottlenecks in data movement. In particular, we have spent considerable effort demonstrating our techniques on production-like workflow configurations.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2012

Dense LU Factorization on Multicore Supercomputer Nodes

Dense LU factorization is a prominent benchmark used to rank the performance of supercomputers. Many implementations, including the reference code HPL, use block-cyclic distributions of matrix blocks onto a two-dimensional process grid. The process grid dimensions drive a trade-off between communication and computation and are architecture- and implementation-sensitive. We show how the critical panel factorization steps can be made less communication-bound by overlapping asynchronous collectives for pivot identification and exchange with the computation of rank-k updates. By shifting this trade-off, a modified block-cyclic distribution can beneficially exploit more available parallelism on the critical path, and reduce panel factorization's memory hierarchy contention on now-ubiquitous multi-core architectures. The missed parallelism in traditional block-cyclic distributions arises because active panel factorization, triangular solves, and subsequent broadcasts are spread over single process columns or rows (respectively) of the process grid. Increasing one dimension of the process grid decreases the number of distinct processes in the other dimension. To increase parallelism in both dimensions, periodic 'rotation' is applied to the process grid to recover the row-parallelism lost by a tall process grid. During active panel factorization, rank-1 updates stream through memory with minimal reuse. In a column-major process grid, the performance of this access pattern degrades as too many streaming processors contend for access to memory. A block-cyclic mapping in the more popular row-major order does not encounter this problem, but consequently sacrifices node and network locality in the critical pivoting steps. We introduce 'striding' to vary between the two extremes of row- and column-major process grids. As a test-bed for further mapping experiments, we describe a dense LU implementation that allows a block distribution to be defined as a general function of block to processor. Other mappings can be tested with only small, local changes to the code.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2014

Perspective: The Climate-Population-Infrastructure Modeling and Simulation Fertile Area for New Research

Managing the risks posed by climate change and extreme weather to energy production and delivery is a challenge to communities worldwide. As climate conditions change, populations will shift, and demand will re-locate; and networked infrastructures will evolve to accommodate new load centers, and, hopefully, minimize vulnerability to natural disaster. Climate effects such as sea level rise, increased frequency and intensity of natural disasters, force populations to move locations. Displaced population creates new demand for built infrastructure that in turn generates new economic activity that attracts new workers and associated households to the new locations. Infrastructures and their interdependencies will change in reaction to climate drivers as the networks expand into new population areas and as portions of the networks are abandoned as people leave. Thus, infrastructures will evolve to accommodate new load centers while some parts of the network are underused, and these changes will create emerging vulnerabilities. Forecasting the location of these vulnerabilities by combining climate predictions and agent based population movement models shows promise for defining these future population distributions and changes in coastal infrastructure configurations. By combining climate and weather data, engineering algorithms and social theory it has been only recently possible to examine electricity demand response to increased climactic temperatures, population relocation in response to extreme cyclonic events, consequent net population changes and new regional patterns in electricity demand. These emerging results suggest a research agenda of coupling these disparate modelling approaches to understand the implications of climate change for protecting the nation s critical infrastructure.

Climate↗

DOE OSTI2016

HPSim, Version 1.0

HPSim is a GPU-accelerated online multi-particle beam dynamics simulation tool for ion linacs. It was originally developed for use on the Los Alamos 800-MeV proton linac. It is a “z-code” that contains typical linac beam transport elements. The linac RF-gap transformation utilizes transit-time-factors to calculate the beam acceleration therein. The space-charge effects are computed using the 2D SCHEFF (Space CHarge EFFect) algorithm, which calculates the radial and longitudinal space charge forces for cylindrically symmetric beam distributions. Other space- charge routines to be incorporated include the 3D PICNIC and a 3D Poisson solver. HPSim can simulate beam dynamics in drift tube linacs (DTLs) and coupled cavity linacs (CCLs). Elliptical superconducting cavity (SC) structures will also be incorporated into the code. The computational core of the code is written in C++ and accelerated using the NVIDIA CUDA technology. Users access the core code, which is wrapped in Python/C APIs, via Pythons scripts that enable ease-of-use and automation of the simulations. The overall linac description including the EPICS PV machine control parameters is kept in an SQLite database that also contains calibration and conversion factors required to transform the machine set points into model values used in the simulation.

Pang, Xiaoying↗

DOE OSTI2017

Increasingly minimal bias routing

A system and algorithm configured to generate diversity at the traffic source so that packets are uniformly distributed over all of the available paths, but to increase the likelihood of taking a minimal path with each hop the packet takes. This is achieved by configuring routing biases so as to prefer non-minimal paths at the injection point, but increasingly prefer minimal paths as the packet proceeds, referred to herein as Increasing Minimal Bias (IMB).

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2018

Increasingly minimal bias routing

Bataineh, Abdulla↗

DOE OSTI2020

Increasingly minimal bias routing

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Arbitrage and Capacity Firming in Coordination with Day-Ahead Bidding of a Hybrid PV Plant: Preprint

A hybrid PV plant (HPP) combines a photovoltaic (PV) plant with a battery energy storage system (BESS), which is considered a promising step towards the future of renewable power plants by the U.S. Department of Energy. When the renewable penetration reaches a significant level, a hybrid PV plant can bid in as a controllable thermal plant in the future electricity market. In this study, a bidding and BESS scheduling model is proposed for the HPP. The robust optimization (RO) technique has been utilized to identify the worst-case scenario of uncertainties during the bidding process. To address the overly conservative issue of the single-stage RO, we have decoupled the BESS schedule for arbitrage and PV capacity firming by a two-stage RO formulation. By comparing the output of single-stage RO and two-stage RO, the two-stage RO bids and schedules in a more aggressive manner, which increases the income of HPP. Also, the penalty of under-generation is considered in our model so that the day-ahead bidding decision and arbitrage schedules can be adjusted based on the potential UNDER-GENERATION penalty. Because the proposed model is non-convex and contains multi-stages, the Column-and-Constraint Generation (C&CG) algorithm is applied to the model as the solution. The proposed model has shown better economic performance compared to a state-of-art single-stage bidding method in case studies.

BESS scheduling↗