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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Multilevel techniques for compression and reduction of scientific data—the univariate case

We present a multilevel technique for the compression and reduction of univariate data and give an optimal complexity algorithm for its implementation. A hierarchical scheme offers the flexibility to produce multiple levels of partial decompression of the data so that each user can work with a reduced representation that requires minimal storage whilst achieving the required level of tolerance. The algorithm is applied to the case of turbulence modelling in which the datasets are traditionally not only extremely large but inherently non-smooth and, as such, rather resistant to compression. Here, we decompress the data for a range of relative errors, carry out the usual analysis procedures for turbulent data, and compare the results of the analysis on the reduced datasets to the results that would be obtained on the full dataset. The results obtained demonstrate the promise of multilevel compression techniques for the reduction of data arising from large scale simulations of complex phenomena such as turbulence modelling.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Multilevel Techniques for Compression and Reduction of Scientific Data---The Unstructured Case

Previous work on multilevel techniques for compression and reduction of scientific data is extended to the case of data given on unstructured meshes in two and three dimensions. The centerpiece of the work is a decomposition algorithm which is shown to be optimal, in terms of both storage and operational complexity, applicable to unstructured grids in both two and three dimensions, and which implicitly gives a Riesz basis that can be exploited to reduce the data while maintaining rigorous bounds on the loss incurred. The flexibility of the approach is illustrated by applications to potential flow around an airfoil and the effect of compression on quantities of interest relevant to airfoil design; compression of computational simulation of a nonlinear reaction-diffusion system with special attention given to the problem of time series reduction; and, data from a simulation of magnetically confined plasma in a fusion reactor reduced so as to preserve the electric field computed from the data.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2012

SPECTRAL TYPES OF RED SUPERGIANTS IN NGC 6822 AND THE WOLF-LUNDMARK-MELOTTE GALAXY

We present moderate-resolution spectroscopic observations of red supergiants (RSGs) in the low-metallicity Local Group galaxies NGC 6822 (Z = 0.4 Z{sub Sun} ) and Wolf-Lundmark-Melotte (WLM; Z = 0.1 Z{sub Sun} ). By combining these observations with reduction techniques for multislit data reduction and flux calibration, we are able to analyze spectroscopic data of 16 RSGs in NGC 6822 and spectrophotometric data of 11 RSGs in WLM. Using these observations, we determine spectral types for these massive stars, comparing them to Milky Way and Magellanic Cloud RSGs and thus extending observational evidence of the abundance-dependent shift of RSG spectral types to lower metallicities. In addition, we have uncovered two RSGs with unusually late spectral types (J000158.14-152332.2 in WLM, with a spectral type of M3 I, and J194453.46-144552.6 in NGC 6822, with a spectral type of M4.5 I) and a third RSG (J194449.96-144333.5 in NGC 6822) whose spectral type has varied from an M2.5 in 1997 to a K5 in 2008. All three of these stars could potentially be members of a recently discovered class of extreme RSG variables.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

SU-E-J-98: Radiogenomics: Correspondence Between Imaging and Genetic Features Based On Clustering Analysis

Purpose: Radiogenomics aims to establish relationships between patient genotypes and imaging phenotypes. An open question remains on how best to integrate information from these distinct datasets. This work investigates if similarities in genetic features across patients correspond to similarities in PET-imaging features, assessed with various clustering algorithms. Methods: [{sup 18}F]FDG PET data was obtained for 26 NSCLC patients from a public database (TCIA). Tumors were contoured using an in-house segmentation algorithm combining gradient and region-growing techniques; resulting ROIs were used to extract 54 PET-based features. Corresponding genetic microarray data containing 48,778 elements were also obtained for each tumor. Given mismatch in feature sizes, two dimension reduction techniques were also applied to the genetic data: principle component analysis (PCA) and selective filtering of 25 NSCLC-associated genes-ofinterest (GOI). Gene datasets (full, PCA, and GOI) and PET feature datasets were independently clustered using K-means and hierarchical clustering using variable number of clusters (K). Jaccard Index (JI) was used to score similarity of cluster assignments across different datasets. Results: Patient clusters from imaging data showed poor similarity to clusters from gene datasets, regardless of clustering algorithms or number of clusters (JI{sub mean}= 0.3429±0.1623). Notably, we found clustering algorithms had different sensitivities to data reduction techniques. Using hierarchical clustering, the PCA dataset showed perfect cluster agreement to the full-gene set (JI =1) for all values of K, and the agreement between the GOI set and the full-gene set decreased as number of clusters increased (JI=0.9231 and 0.5769 for K=2 and 5, respectively). K-means clustering assignments were highly sensitive to data reduction and showed poor stability for different values of K (JI{sub range}: 0.2301–1). Conclusion: Using commonly-used clustering algorithms, we found poor agreement in patient characterization from genomic versus imaging data. Interpretation of radiogenomic associations was found to be dependent on clustering algorithms and sensitive to data reduction techniques.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Scaling up to address data science challenges

Statistics and Data Science provide a variety of perspectives and technical approaches for exploring and understanding Big Data. Partnerships between scientists from different fields such as statistics, machine learning, computer science, and applied mathematics can lead to innovative approaches for addressing problems involving increasingly large amounts of data in a rigorous and effective manner that takes advantage of advances in computing. Here, this article will explore various challenges in Data Science and will highlight statistical approaches that can facilitate analysis of large-scale data including sampling and data reduction methods, techniques for effective analysis and visualization of large-scale simulations, and algorithms and procedures for efficient processing.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2013

LANL CSSE L2: Case Study of In Situ Data Analysis in ASC Integrated Codes [Slides]

The massive, complex datasets generated by scientific simulations on next-generation computer architectures at extreme scale pose new challenges for data management and scientific understanding. A critical element in meeting these new challenges is in situ data analysis where information is reduced and analyzed as close to the point of generation as possible, for example, at run time or as the data stream to longer term storage. This milestone will demonstrate in situ data analysis in xRAGE, an ASC Eulerian Radiation Hydrodynamics code. We will work with the Eulerian Applications Project to identify target problems that will exercise physics of interest to the program, and we will work closely with users to maximize the achieved usability and productivity improvements. We will investigate enhancements to the in situ process that enable and improve techniques of data reduction and data triage in addition to improving in situ performance by using portable acceleration technology. We will report on their viability and performance in xRAGE or another ASC code. These products will provide ASC IC developers with reference codes and tools that will benefit DSW by advancing the technology for predictive science at extreme scales.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2011

S-Preconditioner for Multi-fold Data Reduction with Guaranteed User-Controlled Accuracy

The growing gap between the massive amounts of data generated by petascale scientific simulation codes and the capability of system hardware and software to effectively analyze this data necessitates data reduction. Yet, the increasing data complexity challenges most, if not all, of the existing data compression methods. In fact, lossless compression techniques offer no more than 10% reduction on scientific data that we have experience with, which is widely regarded as effectively incompressible. To bridge this gap, in this paper, we advocate a transformative strategy that enables fast, accurate, and multi-fold reduction of double-precision floating-point scientific data. The intuition behind our method is inspired by an effective use of preconditioners for linear algebra solvers optimized for a particular class of computational dwarfs (e.g., dense or sparse matrices). Focusing on a commonly used multi-resolution wavelet compression technique as the underlying solver for data reduction we propose the S-preconditioner, which transforms scientific data into a form with high global regularity to ensure a significant decrease in the number of wavelet coefficients stored for a segment of data. Combined with the subsequent EQ-calibrator, our resultant method (called S-Preconditioned EQ-Calibrated Wavelets (SPEQC-WAVELETS)), robustly achieved a 4- to 5- fold data reduction while guaranteeing user-defined accuracy of reconstructed data to be within 1% point-by-point relative error, lower than 0:01 Normalized RMSE, and higher than 0:99 Pearson Correlation. In this paper, we show the results we obtained by testing our method on six petascale simulation codes including fusion, combustion, climate, astrophysics, and subsurface groundwater in addition to 13 publicly available scientific datasets. We also demonstrate that application-driven data mining tasks performed on decompressed variables or their derived quantities produce results of comparable quality with the ones for the original data.

Jin, Ye↗
DOE OSTI2022

Accurate and Timely Forecasts of Geologic Carbon Storage using Machine Learning Methods

Carbon capture and storage is one strategy to reduce greenhouse gas emissions. One approach to storing the captured CO2 is to inject it into deep saline aquifers. However, dynamics of the injected CO2 plume is uncertain and the potential for leakage back to the atmosphere must be assessed. Thus, accurate and timely forecasts of CO2 storage via real-time measurements integration becomes very crucial. This study proposes a learning-based, inverse-free prediction method that can accurately and rapidly forecast CO2 movement and distribution with uncertainty quantification based on limited simulation and observation data. The machine learning techniques include dimension reduction, multivariate data analysis, and Bayesian learning. The outcome is expected to provide CO2 storage site operators with an effective tool for real-time decision making.

Lu, Dan↗
DOE OSTI2019

Multilevel Techniques for Compression and Reduction of Scientific Data-Quantitative Control of Accuracy in Derived Quantities

Although many compression algorithms are focused on preserving pointwise values of the data, application scientists are generally more concerned with derived quantities. Equally well, the user may even be willing to accept a high level of lossiness in the compression provided that the compressed data respect certain invariants, such as mass conservation. In the current work, we develop a mathematical framework and techniques that enable data to be adaptively compressed while maintaining a specified tolerance on a class of user-prescribed quantities. Here, the algorithm is used to augment the functionality of the data reduction package MGARD developed in previous work and the functionality is illustrated by a range of application including data from computational simulation of autocatalytic reaction simulation, turbulent combustion simulation, experimental data obtained from magnetic confinement fusion experiment, and simulation of turbulent flow along a rectangular channel. In each case, we consider one or more relevant quantities of interest and reduce the data so as to preserve these quantities.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Large-scale inverse model analyses employing fast randomized data reduction: INVERSE MODELING WITH DATA REDUCTION

When the number of observations is large, it is computationally challenging to apply classical inverse modeling techniques. We have developed a new computationally efficient technique for solving inverse problems with a large number of observations (e.g., on the order of 10 7 or greater). Our method, which we call the randomized geostatistical approach (RGA), is built upon the principal component geostatistical approach (PCGA). We employ a data reduction technique combined with the PCGA to improve the computational efficiency and reduce the memory usage. Specifically, we employ a randomized numerical linear algebra technique based on a so-called “sketching” matrix to effectively reduce the dimension of the observations without losing the information content needed for the inverse analysis. In this way, the computational and memory costs for RGA scale with the information content rather than the size of the calibration data. Our algorithm is coded in Julia and implemented in the MADS open-source high-performance computational framework (http://mads.lanl.gov). We apply our new inverse modeling method to invert for a synthetic transmissivity field. Compared to a standard geostatistical approach (GA), our method is more efficient when the number of observations is large. Moreover, our method is capable of solving larger inverse problems than the standard GA and PCGA approaches. Thus, our new model inversion method is a powerful tool for solving large-scale inverse problems. The method can be applied in any field and is not limited to hydrogeological applications such as the characterization of aquifer heterogeneity.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Milestone M7 Report: Reducing Excess Data Movement Part 2

This milestone evaluates techniques to measure and, if possible, reduce data movement across all levels of the memory hierarchy, focusing on CPU/GPU page level data movement and on intra-GPU memory hierarchy. We quantitatively evaluate the efficacy of the techniques in reducing data movement and measure how performance tracks data movement reduction. We study a small collection of benchmarks and proxy mini-apps that run on advanced pre-exascale GPUs and on the Accelsim GPU simulator. Our approach has two thrusts: to measure advanced data movement reduction directives and techniques on the newest available GPUs, and to evaluate our benchmark set on simulated GPUs configured with architectural refinements to reduce data movement. We primarily evaluated NVidia-based architectures due to the unavailability of AMD GPU hardware and tools until very recently.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Milestone M6 Report: Reducing Excess Data Movement Part 1

This is the second in a sequence of three Hardware Evaluation milestones that provide insight into the following questions: What are the sources of excess data movement across all levels of the memory hierarchy, going out to the network fabric? What can be done at various levels of the hardware/software hierarchy to reduce excess data movement? How does reduced data movement track application performance? The results of this study can be used to suggest where the DOE supercomputing facilities, working with their hardware vendors, can optimize aspects of the system to reduce excess data movement. Quantitative analysis will also benefit systems software and applications to optimize caching and data layout strategies. Another potential avenue is to answer cost-benefit questions, such as those involving memory capacity versus latency and bandwidth. This milestone focuses on techniques to reduce data movement, quantitatively evaluates the efficacy of the techniques in accomplishing that goal, and measures how performance tracks data movement reduction. We study a small collection of benchmarks and proxy mini-apps that run on pre-exascale GPUs and on the Accelsim GPU simulator. Our approach has two thrusts: to measure advanced data movement reduction directives and techniques on the newest available GPUs, and to evaluate our benchmark set on simulated GPUs configured with architectural refinements to reduce data movement.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2013

CO (3 – 2) HIGH-RESOLUTION SURVEY OF THE GALACTIC PLANE: R1

We present the first release (R1) of data from the CO High-Resolution Survey (COHRS), which maps a strip of the inner Galactic plane in {sup 12}CO (J = 3 → 2). The data are taken using the Heterodyne Array Receiver Programme on the James Clerk Maxwell Telescope (JCMT) in Hawaii, which has a 14 arcsec angular resolution at this frequency. When complete, this survey will cover |b| ≤ 0.°5 between 10° < l < 65°. This first release covers |b| ≤ 0.°5 between 10.°25 < l < 17.°5 and 50.°25 < l < 55.°25, and |b| ≤ 0.°25 between 17.°5 < l < 50.°25. The data are smoothed to a velocity resolution of 1 km s{sup –1}, a spatial resolution of 16 arcsec and achieve a mean rms of ∼1 K. COHRS data are available to the community online at http://dx.doi.org/10.11570/13.0002. In this paper we describe the data acquisition and reduction techniques used and present integrated intensity images and longitude-velocity maps. We also discuss the noise characteristics of the data. The high resolution is a powerful tool for morphological studies of bubbles and filaments while the velocity information shows the spiral arms and outflows. These data are intended to complement both existing and upcoming surveys, e.g., the Bolocam Galactic Plane Survey (BGPS), ATLASGAL, the Herschel Galactic Plane Survey (Hi-GAL) and the JCMT Galactic Plane Survey with SCUBA-2 (JPS)

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Multidimensional scaling informed by F -statistic: Visualizing grouped microbiome data with inference

Multidimensional scaling (MDS) is a widely used dimensionality reduction technique in microbial ecology data analysis that captures the multivariate structure of the data while preserving pairwise distances between samples. While improvements in MDS have enhanced the ability to reveal group-specific data patterns, these MDS-based methods require prior assumptions for inference, limiting their application in general microbiome analysis. Here, in this study, we introduce a new MDS-based ordination method, “F-informed MDS,” which configures the data distribution based on the F-statistic, the ratio of dispersion between groups sharing common and different characteristics. Using semisynthetic datasets, we demonstrate that the proposed method is robust to hyperparameter selection while maintaining statistical significance throughout the ordination process. Various quality metrics for evaluating dimensionality reduction confirm that F-informed MDS is comparable to state-of-the-art methods in preserving both local and global data structures. Its application to a diatom-associated bacterial community suggests the role of this new method in interpreting the community’s response to the host. Our approach offers a well-founded refinement of MDS that aligns with statistical test results, which can be beneficial for broader multidimensional data analyses in microbiology and ecology. This new visualization tool can be incorporated into standard microbiome data analyses.

Biological and medical sciences↗
DOE OSTI2014

Realistic simulation of reduced-dose CT with noise modeling and sinogram synthesis using DICOM CT images

Purpose: Reducing the patient dose while maintaining the diagnostic image quality during CT exams is the subject of a growing number of studies, in which simulations of reduced-dose CT with patient data have been used as an effective technique when exploring the potential of various dose reduction techniques. Difficulties in accessing raw sinogram data, however, have restricted the use of this technique to a limited number of institutions. Here, we present a novel reduced-dose CT simulation technique which provides realistic low-dose images without the requirement of raw sinogram data. Methods: Two key characteristics of CT systems, the noise equivalent quanta (NEQ) and the algorithmic modulation transfer function (MTF), were measured for various combinations of object attenuation and tube currents by analyzing the noise power spectrum (NPS) of CT images obtained with a set of phantoms. Those measurements were used to develop a comprehensive CT noise model covering the reduced x-ray photon flux, object attenuation, system noise, and bow-tie filter, which was then employed to generate a simulated noise sinogram for the reduced-dose condition with the use of a synthetic sinogram generated from a reference CT image. The simulated noise sinogram was filtered with the algorithmic MTF and back-projected to create a noise CT image, which was then added to the reference CT image, finally providing a simulated reduced-dose CT image. The simulation performance was evaluated in terms of the degree of NPS similarity, the noise magnitude, the bow-tie filter effect, and the streak noise pattern at photon starvation sites with the set of phantom images. Results: The simulation results showed good agreement with actual low-dose CT images in terms of their visual appearance and in a quantitative evaluation test. The magnitude and shape of the NPS curves of the simulated low-dose images agreed well with those of real low-dose images, showing discrepancies of less than +/−3.2% in terms of the noise power at the peak height and +/−1.2% in terms of the spatial frequency at the peak height. The magnitudes of the noise measured for 12 different combinations the phantom size, tube current, and reconstruction kernel for the simulated and real low-dose images were very similar, with differences of 0.1 to 4.7%. Thep value for a statistical testing of the difference in the noise magnitude ranged from 0.99 to 0.11, showing that there was no difference statistically between the noise magnitudes of the real and simulated low-dose images using our method. The strength and pattern of the streak noise in an anthropomorphic phantom was also consistent with expectations. Conclusions: A novel reduced-dose CT simulation technique was developed which uses only CT images while not requiring raw sinogram data. Our method can provide realistic simulation results under reduced-dose conditions both in terms of the noise magnitude and the textual appearance. This technique has the potential to promote clinical research for patient dose reductions.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2020

Mesoscale informed parameter estimation through machine learning: A case-study in fracture modeling

Scale bridging is a critical need in computational sciences, where the modeling community has developed accurate physics models from first principles, of processes at lower length and time scales that influence the behavior at the higher scales of interest. However, it is not computationally feasible to incorporate all of the lower length scale physics directly into upscaled models. This is an area where machine learning has shown promise in building emulators of the lower length scale models, which incur a mere fraction of the computational cost of the original higher fidelity models. We demonstrate the use of machine learning using an example in materials science estimating continuum scale parameters by emulating, with uncertainties, complicated mesoscale physics. Additionally, we describe a new framework to emulate the fine scale physics, especially in the presence of microstructures, using machine learning, and showcase its usefulness by providing an example from modeling fracture propagation. Our approach can be thought of as a data-driven dimension reduction technique that yields probabilistic emulators. Our results show well-calibrated predictions for the quantities of interests in a low-strain simulation of fracture propagation at the mesoscale level. Furthermore, on average, we achieve ~10% relative errors on time-varying quantities like total damage and maximum stresses. Successfully replicating mesoscale scale physics within the continuum models is a crucial step towards predictive capability in multi-scale problems.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Calibrating hypersonic turbulence flow models with the HIFiRE-1 experiment using data-driven machine-learned models.

In this paper we study the efficacy of combining machine-learning methods with projection-based model reduction techniques for creating data-driven surrogate models of computationally expensive, high-fidelity physics models. Such surrogate models are essential for many-query applications e.g., engineering design optimization and parameter estimation, where it is necessary to invoke the high-fidelity model sequentially, many times. Surrogate models are usually constructed for individual scalar quantities. However there are scenarios where a spatially varying field needs to be modeled as a function of the model’s input parameters. Here we develop a method to do so, using projections to represent spatial variability while a machine-learned model captures the dependence of the model’s response on the inputs. The method is demonstrated on modeling the heat flux and pressure on the surface of the HIFiRE-1 geometry in a Mach 7.16 turbulent flow. The surrogate model is then used to perform Bayesian estimation of freestream conditions and parameters of the SST (Shear Stress Transport) turbulence model embedded in the high-fidelity (Reynolds-Averaged Navier–Stokes) flow simulator, using shock-tunnel data. The paper provides the first-ever Bayesian calibration of a turbulence model for complex hypersonic turbulent flows. We find that the primary issues in estimating the SST model parameters are the limited information content of the heat flux and pressure measurements and the large model-form error encountered in a certain part of the flow.

42 ENGINEERING↗
DOE OSTI2016

Enhancements to the RAVEN code in FY16

The RAVEN code has been under development at the Idaho National Laboratory since 2012. Its main goal is to create a multi-purpose platform for the deploying of all the capabilities needed for Probabilistic Risk Assessment, uncertainty quantification, data mining analysis and optimization studies. RAVEN has currently reached a good level of maturity in terms of deployed state-of-art and advanced capabilities. The main subject of this report is to show the activities that have been recently accomplished: • Implementation of ensemble modeling for time-series, and • initial implementation of model validation for surrogate models, and • advanced visualization capability for topology based data analysis The development of ensemble modeling for time-series has been performed in order to begin tackling the needs of those RISMC applications that need to communicate 1-Dimensional information (e.g. power histories, etc.) among different models. In this document the implementation details and an application example is reported. The second subject of this report is about the initial development of methods, within the RAVEN framework, to assess the validity of the predictive capabilities of surrogate models. Indeed, after the construction of a surrogate tight to a certain physical model, it is crucial to assess the goodness of its representation, in order to be confident with its prediction. In this initial activity, a cross-validation technique has been employed. This report will highlight the implementation details and proof its correct implementation by an application example. The final subject of this report is about the implementation of advanced visualization capability in RAVEN, for interactive data analysis. Indeed, RAVEN offers several post-processing capabilities that can structurally decompose data extracted from experimental results offering both data clustering/partitioning and dimensionality reduction techniques. A disadvantage of the workflow available in RAVEN is that it treats these as black box operations and the user is expected to know specific information about their data including the number of partitions to expect in some cases or the “correct” parameter settings for a particular algorithm. In order to overcome this limitation, it has been added an interactive user interface that can be run in RAVEN to explore different parameter settings on the fly specifically for the topological post-processor and allows the user to explore the data interactively. The design of this user interface is generalizable to other algorithms and can be used as a model to generate more dynamic and user-friendly visualization capabilities within RAVEN.

97 MATHEMATICS AND COMPUTING↗