Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Data Intensive Computing”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 469 records · Page 26

A Surrogate-based Adaptive Sampling Approach for History Matching and Uncertainty Quantification

A critical procedure in reservoir simulations is history matching (or data assimilation in a broader sense), which calibrates model parameters such that the simulation results are consistent with field measurements, and hence improves the credibility of the predictions given by the simulations. Often there exist non-unique combinations of parameter values that all yield the simulation results matching the measurements. For such ill-posed history matching problems, Bayesian theorem provides a theoretical foundation to represent different solutions and to quantify the uncertainty with the posterior PDF. Lacking an analytical solution in most situations, the posterior PDF may be characterized with a sample of realizations, each representing a possible scenario. A novel sampling algorithm is presented here for the Bayesian solutions to history matching problems. We aim to deal with two commonly encountered issues: 1) as a result of the nonlinear input-output relationship in a reservoir model, the posterior distribution could be in a complex form, such as multimodal, which violates the Gaussian assumption required by most of the commonly used data assimilation approaches; 2) a typical sampling method requires intensive model evaluations and hence may cause unaffordable computational cost. In the developed algorithm, we use a Gaussian mixture model as the proposal distribution in the sampling process, which is simple but also flexible to approximate non-Gaussian distributions and is particularly efficient when the posterior is multimodal. Also, a Gaussian process is utilized as a surrogate model to speed up the sampling process. Furthermore, an iterative scheme of adaptive surrogate refinement and re-sampling ensures sampling accuracy while keeping the computational cost at a minimum level. The developed approach is demonstrated with an illustrative example and shows its capability in handling the above-mentioned issues. Multimodal posterior of the history matching problem is captured and are used to give a reliable production prediction with uncertainty quantification. The new algorithm reveals a great improvement in terms of computational efficiency comparing previously studied approaches for the sample problem.

Li, Weixuan↗

High Performance Data Transfer for Distributed Data Intensive Sciences

We report on the development of ZX software providing high performance data transfer and encryption. The design scales in: computation power, network interfaces, and IOPS while carefully balancing the available resources. Two U.S. patent-pending algorithms help tackle data sets containing lots of small files and very large files, and provide insensitivity to network latency. It has a cluster-oriented architecture, using peer-to-peer technologies to ease deployment, operation, usage, and resource discovery. Its unique optimizations enable effective use of flash memory. Using a pair of existing data transfer nodes at SLAC and NERSC, we compared its performance to that of bbcp and GridFTP and determined that they were comparable. With a proof of concept created using two four-node clusters with multiple distributed multi-core CPUs, network interfaces and flash memory, we achieved 155Gbps memory-to-memory over a 2x100Gbps link aggregated channel and 70Gbps file-to-file with encryption over a 5000 mile 100Gbps link.

97 MATHEMATICS AND COMPUTING↗

Computer program for Video Data Processing System /VDPS/

Video data from spacecraft photographic mission telemetry is scanned to generate digital tape computer program which prints out intensity points, cleans noise and telemetry drop-out, enhances contrast, modifies the picture, and calculates contour lines. The output is converted into new photographic film.

Billingsley, F. C.↗

High-Accuracy Module Emulators from Physically-Constrained AI Algorithms

Focal Area(s): How do we use AI tools to integrate observations, simulated data and physical and chemical fundamentals (Focal Area 3) into model components (Focal Area 2) that have high accuracy and stability and low computational burden to improve Earth System Predictability? Science Challenge: Earth system modeling of the hydrological cycle involves compute-intensive modules representing complex chemical and physical process. Recently, AI tools that are far less compute intensive have been developed that emulate these modules, but many of these efforts are not yet sufficiently accurate or even stable. We know a lot about the physics and chemistry of earth system processes. The Science Challenge is developing AI tools that not only incorporate observations and simulated data, but also incorporate the physics and chemistry of the process, while still maintaining the compute efficiency.

54 ENVIRONMENTAL SCIENCES↗

Flow Quality Survey of the 9- by 15-Foot Low Speed Wind Tunnel (2015 and 2016 Tests) Prior to Acoustic Improvement Modifications

A flow quality survey (FQS) was conducted in December 2015 and January 2016 to characterize the flow quality of the 9- by 15-Foot Low-Speed Wind Tunnel (9×15 LSWT) test section prior to the start of significant structural and acoustic modifications. The data from this FQS will be compared with data collected during a replicated FQS after completion of the acoustic improvement modifications. This document contains only the FQS data collected in December 2015 and January 2016 using the 15-ft survey rake and the 18-in. boundary layer rakes in the 9×15 LSWT. The spatial variation at one axial test section station (TSTA), nominally TSTA 198, and five vertical heights of the 15-ft survey rake was computed for Mach number, velocity, total and static pressure, total temperature, and flow angularity (pitch and yaw). Three hot-wire probes mounted to the 15-ft survey rake were used to measure turbulence intensity; however, data from a previous test entry were used as the mean turbulence intensity baseline value, as there were issues with the hot-wire performance. The boundary layer pressure profiles around the perimeter of the test section at TSTA 199 were also measured and the boundary layer heights computed. All calculated results are tabulated for each facility condition set point.

Johnson, Aaron M.↗

Toward Large-Scale Image Segmentation on Summit

Semantic segmentation of images is an important computer vision task that emerges in a variety of application domains such as medical imaging, robotic vision and autonomous vehicles to name a few. While these domain-specific image analysis tasks involve relatively small image sizes (~ 10 2 × 10 2 ), there are many applications that need to train machine learning models on image data with extents that are orders of magnitude larger (~10 4 × 10 4 ). Training deep neural network (DNN) models on large extent images is extremely memory-intensive and often exceeds the memory limitations of a single graphical processing unit, a hardware accelerator of choice for computer vision workloads. Here, an efficient, sample parallel approach to train U-Net models on large extent image data sets is presented. Its advantages and limitations are analyzed and near-linear strong-scaling speedup demonstrated on 256 nodes (1536 GPUs) of the Summit supercomputer. Using a single node of the Summit supercomputer, an early evaluation of a recently released model parallel framework called GPipe is demonstrated to deliver ~ 2X speedup in executing a U-Net model with an order of magnitude larger number of trainable parameters than reported before. Performance bottlenecks for pipelined training of U-Net models are identified and mitigation strategies to improve the speedups are discussed. Together, these results open up the possibility of combining both approaches into a unified scalable pipelined and data parallel algorithm to efficiently train U-Net models with very large receptive fields on data sets of ultra-large extent images.

Seal, Sudip↗

Data-intensive management and analysis for scientifc simulations.

Scientific simulations can produce enormous amounts of data, making the analysis of results and management of files a difficult task for scientists. The simulation management and analysis system (Smaash) described here is designed to allow scientists to easily capture, store, organize, monitor, and analyze simulation results. The system is automatic, standardized, and secure. Smaash was built using open-source tools and modularized to be independent of the scientific simulation. The web-based front-end allows the scientist to easily interact with the data, and has proved its usefulness in improving the efficiency of a scientific team's workflow. High performance parallel computing allows scientists to solve complex physical problems through computer simulation. However, the massive amounts of data generated and the complex computing environment can create additional complications. A recent review by Ludaescher et al.(2009) describes how scientific workflows can assist scientists in extracting knowledge from these data-intensive operations by automating components within pipelines. Within the fusion community, Klasky et al.(2008) and colleagues have developed a system that handles the storage management, data movement, metadata generation and management, and a means to analyze the results. In response to scientists needs, a simulation management and analysis system (Smaash) was developed at the University of Chicago and Argonne National Laboratory (USA). Smaash provides an integrated way to monitor simulations and analyze computational results; catalog, store, and retrieve simulations; and prepare output for publications. The system is independent of the particular simulation code, accessible from many HPC and browser-based platforms, and built around open-source software tools. Data security and provenance is considered throughout. The analysis components are hidden behind a web-based front end, enabling scientists to focus on their results and not get bogged down by information overload.

99 GENERAL AND MISCELLANEOUS↗

On the Rapid Calculation of Binding Affinities for Antigen and Antibody Design and Affinity Maturation Simulations

The accurate and efficient calculation of protein-protein binding affinities is an essential component in antibody and antigen design and optimization, and in computer modeling of antibody affinity maturation. Such calculations remain challenging despite advances in computer hardware and algorithms, primarily because proteins are flexible molecules, and thus, require explicit or implicit incorporation of multiple conformational states into the computational procedure. The astronomical size of the amino acid sequence space further compounds the challenge by requiring predictions to be computed within a short time so that many sequence variants can be tested. In this study, we compare three classes of methods for antibody/antigen (Ab/Ag) binding affinity calculations: (i) a method that relies on the physical separation of the Ab/Ag complex in equilibrium molecular dynamics (MD) simulations, (ii) a collection of 18 scoring functions that act on an ensemble of structures created using homology modeling software, and (iii) methods based on the molecular mechanics-generalized Born surface area (MM-GBSA) energy decomposition, in which the individual contributions of the energy terms are scaled to optimize agreement with the experiment. When applied to a set of 49 antibody mutations in two Ab/HIV gp120 complexes, all of the methods are found to have modest accuracy, with the highest Pearson correlations reaching about 0.6. In particular, the most computationally intensive method, i.e., MD simulation, did not outperform several scoring functions. The optimized energy decomposition methods provided marginally higher accuracy, but at the expense of requiring experimental data for parametrization. Within each method class, we examined the effect of the number of independent computational replicates, i.e., modeled structures or reinitialized MD simulations, on the prediction accuracy. We suggest using about ten modeled structures for scoring methods, and about five simulation replicates for MD simulations as a rule of thumb for obtaining reasonable convergence. We anticipate that our study will be a useful resource for practitioners working to incorporate binding affinity calculations within their protein design and optimization process.

59 BASIC BIOLOGICAL SCIENCES↗

Spatial Modulation Improves Performance in CTIS

Suitably formulated spatial modulation of a scene imaged by a computed-tomography imaging spectrometer (CTIS) has been found to be useful as a means of improving the imaging performance of the CTIS. As used here, "spatial modulation" signifies the imposition of additional, artificial structure on a scene from within the CTIS optics. The basic principles of a CTIS were described in "Improvements in Computed- Tomography Imaging Spectrometry" (NPO-20561) NASA Tech Briefs, Vol. 24, No. 12 (December 2000), page 38 and "All-Reflective Computed-Tomography Imaging Spectrometers" (NPO-20836), NASA Tech Briefs, Vol. 26, No. 11 (November 2002), page 7a. To recapitulate: A CTIS offers capabilities for imaging a scene with spatial, spectral, and temporal resolution. The spectral disperser in a CTIS is a two-dimensional diffraction grating. It is positioned between two relay lenses (or on one of two relay mirrors) in a video imaging system. If the disperser were removed, the system would produce ordinary images of the scene in its field of view. In the presence of the grating, the image on the focal plane of the system contains both spectral and spatial information because the multiple diffraction orders of the grating give rise to multiple, spectrally dispersed images of the scene. By use of algorithms adapted from computed tomography, the image on the focal plane can be processed into an image cube a three-dimensional collection of data on the image intensity as a function of the two spatial dimensions (x and y) in the scene and of wavelength (lambda). Thus, both spectrally and spatially resolved information on the scene at a given instant of time can be obtained, without scanning, from a single snapshot; this is what makes the CTIS such a potentially powerful tool for spatially, spectrally, and temporally resolved imaging. A CTIS performs poorly in imaging some types of scenes in particular, scenes that contain little spatial or spectral variation. The computed spectra of such scenes tend to approximate correct values to within acceptably small errors near the edges of the field of view but to be poor approximations away from the edges. The additional structure imposed on a scene according to the present method enables the CTIS algorithms to reconstruct acceptable approximations of the spectral data throughout the scene.

Bearman, Gregory H.↗

Sassena — X-ray and neutron scattering calculated from molecular dynamics trajectories using massively parallel computers

Massively parallel computers now permit the molecular dynamics (MD) simulation of multi-million atom systems on time scales up to the microsecond. However, the subsequent analysis of the resulting simulation trajectories has now become a high performance computing problem in itself. Here, we present software for calculating X-ray and neutron scattering intensities from MD simulation data that scales well on massively parallel supercomputers. The calculation and data staging schemes used maximize the degree of parallelism and minimize the IO bandwidth requirements. The strong scaling tested on the Jaguar Petaflop Cray XT5 at Oak Ridge National Laboratory exhibits virtually linear scaling up to 7000 cores for most benchmark systems. Since both MPI and thread parallelism is supported, the software is flexible enough to cover scaling demands for different types of scattering calculations. The result is a high performance tool capable of unifying large-scale supercomputing and a wide variety of neutron/synchrotron technology.

Computer Science↗

Benchmarking Memory Performance with the Data Cube Operator

Data movement across a computer memory hierarchy and across computational grids is known to be a limiting factor for applications processing large data sets. We use the Data Cube Operator on an Arithmetic Data Set, called ADC, to benchmark capabilities of computers and of computational grids to handle large distributed data sets. We present a prototype implementation of a parallel algorithm for computation of the operatol: The algorithm follows a known approach for computing views from the smallest parent. The ADC stresses all levels of grid memory and storage by producing some of 2d views of an Arithmetic Data Set of d-tuples described by a small number of integers. We control data intensity of the ADC by selecting the tuple parameters, the sizes of the views, and the number of realized views. Benchmarking results of memory performance of a number of computer architectures and of a small computational grid are presented.

Frumkin, Michael A.↗

Identification of lithium hydride and its hydrolysis products with neutron imaging

In this study, lithium hydride (LiH) and its hydrolysis products were investigated non-destructively with neutron radiography and neutron computed tomography. Relative neutron transmission intensities (I/I 0 ) were measured for LiOH, Li 2 O and LiH, and their linear attenuation coefficients calculated from this data. We show that 7 Li is necessary for creating large differences in I/I 0 for facile identification of these compounds. The thermal decomposition of LiOH to Li 2 O was also observed with neutron radiography. Computed tomography shows that the samples were fairly homogeneous, with very few macroscopic defects. Lastly, the results shown here demonstrate the feasibility of observing LiH hydrolysis with neutron imaging techniques in real time.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Unsupervised classification for region of interest in X-ray ptychography

X-ray ptychography offers high-resolution imaging of large areas at a high computational cost due to the large volume of data provided. To address the cost issue, we propose a physics-informed unsupervised classification algorithm that is performed prior to reconstruction and removes data outside the region of interest (RoI) based on the multimodal features present in the diffraction patterns. The preprocessing time for the proposed method is inconsequential in contrast to the resource-intensive reconstruction process, leading to an impressive reduction in the data workload to a mere 20% of the initial dataset. This capability consequently reduces computational time dramatically while preserving reconstruction quality. Through further segmentation of the diffraction patterns, our proposed approach can also detect features that are smaller than beam size and correctly classify them as within the RoI.

97 MATHEMATICS AND COMPUTING↗

Planck 2018 results: III. High frequency instrument data processing and frequency maps

This paper presents the High Frequency Instrument (HFI) data processing procedures for the Planck 2018 release. Major improvements in mapmaking have been achieved since the previous Planck 2015 release, many of which were used and described already in an intermediate paper dedicated to the Planck polarized data at low multipoles. These improvements enabled the first significant measurement of the reionization optical depth parameter using Planck-HFI data. This paper presents an extensive analysis of systematic effects, including the use of end-to-end simulations to facilitate their removal and characterize the residuals. The polarized data, which presented a number of known problems in the 2015 Planck release, are very significantly improved, especially the leakage from intensity to polarization. Calibration, based on the cosmic microwave background (CMB) dipole, is now extremely accurate and in the frequency range 100-353 GHz reduces intensity-to-polarization leakage caused by calibration mismatch. The Solar dipole direction has been determined in the three lowest HFI frequency channels to within one arc minute, and its amplitude has an absolute uncertainty smaller than 0.35 μK, an accuracy of order 10 -4 . This is a major legacy from the Planck HFI for future CMB experiments. The removal of bandpass leakage has been improved for the main high-frequency foregrounds by extracting the bandpass-mismatch coefficients for each detector as part of the mapmaking process; these values in turn improve the intensity maps. This is a major change in the philosophy of "frequency maps", which are now computed from single detector data, all adjusted to the same average bandpass response for the main foregrounds. End-to-end simulations have been shown to reproduce very well the relative gain calibration of detectors, as well as drifts within a frequency induced by the residuals of the main systematic effect (analogue-to-digital convertor non-linearity residuals). Using these simulations, we have been able to measure and correct the small frequency calibration bias induced by this systematic effect at the 10 -4 level. There is no detectable sign of a residual calibration bias between the first and second acoustic peaks in the CMB channels, at the 10 -3 level.

79 ASTRONOMY AND ASTROPHYSICS↗

Characterizing magnetized plasmas with dynamic mode decomposition

Accurate and efficient plasma models are essential to understand and control experimental devices. Existing magnetohydrodynamic or kinetic models are nonlinear and computationally intensive and can be difficult to interpret, while often only approximating the true dynamics. In this work, data-driven techniques recently developed in the field of fluid dynamics are leveraged to develop interpretable reduced-order models of plasmas that strike a balance between accuracy and efficiency. In particular, dynamic mode decomposition (DMD) is used to extract spatio-temporal magnetic coherent structures from the experimental and simulation datasets of the helicity injected torus with steady inductive (HIT-SI) experiment. Three-dimensional magnetic surface probes from the HIT-SI experiment are analyzed, along with companion simulations with synthetic internal magnetic probes. A number of leading variants of the DMD algorithm are compared, including the sparsity-promoting and optimized DMD. Optimized DMD results in the highest overall prediction accuracy, while sparsity-promoting DMD yields physically interpretable models that avoid overfitting. These DMD algorithms uncover several coherent magnetic modes that provide new physical insights into the inner plasma structure. These modes were subsequently used to discover a previously unobserved three-dimensional structure in the simulation, rotating at the second injector harmonic. Finally, using data from probes at experimentally accessible locations, DMD identifies a resistive kink mode, a ubiquitous instability seen in magnetized plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Anastomosing hemangioma of the liver: a case series

Purpose: To report imaging and pathologic features of five pathologically proven anastomosing hemangiomas of the liver (AHL). Methods: A retrospective review for AHL was conducted using our institutional database from 6/2004 to 3/2018. Histology proven AHL with radiologic imaging available for review were included. A total of five patients who met our criteria were identified from our institutional database. Computed tomography, ultrasound, and magnetic resonance imaging findings, including location, size, attenuation/signal intensity, enhancement characteristics, and additional imaging data were reviewed. The clinical and pathological data were also reviewed. Results: The imaging characteristics of AHL are variable, but features such as peripheral or diffuse hyperintensity on diffusion weighted imaging, arterial hyperenhancement without globular interrupted enhancement, and persistent enhancement without complete filling in the delayed phases were more characteristic of AHL. Imaging also demonstrated a lack of aggressive features. Conclusions: AHL present a diagnostic dilemma as they can mimic more malignant lesions, such as angiosarcoma, both on imaging and at pathology. While the imaging characteristics of AHL are variable, there are some features which can help distinguish AHL from other liver lesions. When the diagnosis of anastomosing hemangioma is known, the management of choice is primarily surveillance, as intervention can cause unnecessary morbidity, and no degeneration to malignancy has been identified to date.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Recent advances in describing and driving crystal nucleation using machine learning and artificial intelligence

With the advent of faster computer processors and especially graphics processing units (GPUs) over the last few decades, the use of data-intensive machine learning (ML) and artificial intelligence (AI) has increased greatly, and the study of crystal nucleation has been one of the beneficiaries. In this study, we outline how ML and AI have been applied to address four outstanding difficulties of crystal nucleation: how to discover better reaction coordinates (RCs) for describing accurately non-classical nucleation situations; the development of more accurate force fields for describing the nucleation of multiple polymorphs or phases for a single system; more robust identification methods for determining crystal phases and structures; and as a method to yield improved course-grained models for studying nucleation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗