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At least 1,729 records · Page 96

Improving 3D Wavelet-Based Compression of Hyperspectral Images

Two methods of increasing the effectiveness of three-dimensional (3D) wavelet-based compression of hyperspectral images have been developed. (As used here, images signifies both images and digital data representing images.) The methods are oriented toward reducing or eliminating detrimental effects of a phenomenon, referred to as spectral ringing, that is described below. In 3D wavelet-based compression, an image is represented by a multiresolution wavelet decomposition consisting of several subbands obtained by applying wavelet transforms in the two spatial dimensions corresponding to the two spatial coordinate axes of the image plane, and by applying wavelet transforms in the spectral dimension. Spectral ringing is named after the more familiar spatial ringing (spurious spatial oscillations) that can be seen parallel to and near edges in ordinary images reconstructed from compressed data. These ringing phenomena are attributable to effects of quantization. In hyperspectral data, the individual spectral bands play the role of edges, causing spurious oscillations to occur in the spectral dimension. In the absence of such corrective measures as the present two methods, spectral ringing can manifest itself as systematic biases in some reconstructed spectral bands and can reduce the effectiveness of compression of spatially-low-pass subbands. One of the two methods is denoted mean subtraction. The basic idea of this method is to subtract mean values from spatial planes of spatially low-pass subbands prior to encoding, because (a) such spatial planes often have mean values that are far from zero and (b) zero-mean data are better suited for compression by methods that are effective for subbands of two-dimensional (2D) images. In this method, after the 3D wavelet decomposition is performed, mean values are computed for and subtracted from each spatial plane of each spatially-low-pass subband. The resulting data are converted to sign-magnitude form and compressed in a manner similar to that of a baseline hyperspectral- image-compression method. The mean values are encoded in the compressed bit stream and added back to the data at the appropriate decompression step. The overhead incurred by encoding the mean values only a few bits per spectral band is negligible with respect to the huge size of a typical hyperspectral data set. The other method is denoted modified decomposition. This method is so named because it involves a modified version of a commonly used multiresolution wavelet decomposition, known in the art as the 3D Mallat decomposition, in which (a) the first of multiple stages of a 3D wavelet transform is applied to the entire dataset and (b) subsequent stages are applied only to the horizontally-, vertically-, and spectrally-low-pass subband from the preceding stage. In the modified decomposition, in stages after the first, not only is the spatially-low-pass, spectrally-low-pass subband further decomposed, but also spatially-low-pass, spectrally-high-pass subbands are further decomposed spatially. Either method can be used alone to improve the quality of a reconstructed image (see figure). Alternatively, the two methods can be combined by first performing modified decomposition, then subtracting the mean values from spatial planes of spatially-low-pass subbands.

Klimesh, Matthew↗

Mesoscale modeling and semi-analytical approach for the microstructure-aware effective thermal conductivity of porous polygranular materials

Here we established a comprehensive modeling approach for investigating the microstructure-aware effective thermal conductivity ($κ_{eff}$) for porous microstructures containing solid particles and gaseous pores. Our approach combines the mesoscale computational modeling framework and the semi-analytical method, allowing for efficient prediction of $κ_{eff}$ for realistic porous microstructures, while considering complicated microstructural thermal conduction pathways effectively in the prediction. We used the diffuse-interface mesoscale computational model to generate extensive simulated $κ_{eff}$ data for realistic digital representations of microstructures with wide ranges of porosity ($f_p$), thermal conductivity of the gas phase ($κ_g$), and thermal conductivity of the solid phase ($κ_s$). From the simulated data, we identified two property variation regimes for $κ_{eff}$: (1) a slow $κ_{eff}$ increase for $κ_s ~ κ_g$; and (2) a faster $κ_{eff}$ increase for $κ_s \gg κ_g$. To capture the key features of the relationship between the microstructure and $κ_{eff}$, we derived a semi-analytical model by introducing structure and intensification factors. The two new factors incorporate the calibrated effective contribution of the solid volume with $κ_s$ and additional interfacial effects into the prediction of $κ_{eff}$, respectively, allowing for consideration of parallel, serial, and interfacial conduction mechanisms effectively. Using the selected simulation data, we quantified key model parameters within the semi-analytical model and verified that the parameterized model exhibits excellent agreement with simulated $κ_{eff}$ for the entire range of the parameter space.

36 MATERIALS SCIENCE↗

Programming Models in HPC

These are the slides for a presentation on programming models in HPC, at the Los Alamos National Laboratory's Parallel Computing Summer School. The following topics are covered: Flynn's Taxonomy of computer architectures; single instruction single data; single instruction multiple data; multiple instruction multiple data; address space organization; definition of Trinity (Intel Xeon-Phi is a MIMD architecture); single program multiple data; multiple program multiple data; ExMatEx workflow overview; definition of a programming model, programming languages, runtime systems; programming model and environments; MPI (Message Passing Interface); OpenMP; Kokkos (Performance Portable Thread-Parallel Programming Model); Kokkos abstractions, patterns, policies, and spaces; RAJA, a systematic approach to node-level portability and tuning; overview of the Legion Programming Model; mapping tasks and data to hardware resources; interoperability: supporting task-level models; Legion S3D execution and performance details; workflow, integration of external resources into the programming model.

97 MATHEMATICS AND COMPUTING↗

System for generating timing and control signals

A system capable of generating every possible data frame subperiod and delayed subperiod of a data frame of length of M clock pulse intervals (CPIs) comprised of parallel modulo-m sub i counters is presented. Each m sub i is a prime power divisor of M and a cascade of alpha sub i identical modulo-p sub i counters. The modulo-p sub i counters are feedback shift registers which cycle through p sub i distinct states. Every possible nontrivial data frame subperiod and delayed subperiod is derived and a specific CPI in the data frame is detected. The number of clock pulses required to bring every modulo-p sub i counter to a respective designated state or count is determined by the Chinese remainder theorem. This corresponds to the solution of simultaneous congruences over relatively prime moduli.

Perlman, M.↗

Characterizing DebriSat Fragments: So Many Fragments, So Much Data, and So Little Time

To improve prediction accuracy, the DebriSat project was conceived by NASA and DoD to update existing standard break-up models. Updating standard break-up models require detailed fragment characteristics such as physical size, material properties, bulk density, and ballistic coefficient. For the DebriSat project, a representative modern LEO spacecraft was developed and subjected to a laboratory hypervelocity impact test and all generated fragments with at least one dimension greater than 2 mm are collected, characterized and archived. Since the beginning of the characterization phase of the DebriSat project, over 130,000 fragments have been collected and approximately 250,000 fragments are expected to be collected in total, a three-fold increase over the 85,000 fragments predicted by the current break-up model. The challenge throughout the project has been to ensure the integrity and accuracy of the characteristics of each fragment. To this end, the post hypervelocity-impact test activities, which include fragment collection, extraction, and characterization, have been designed to minimize handling of the fragments. The procedures for fragment collection, extraction, and characterization were painstakingly designed and implemented to maintain the post-impact state of the fragments, thus ensuring the integrity and accuracy of the characterization data. Each process is designed to expedite the accumulation of data, however, the need for speed is restrained by the need to protect the fragments. Methods to expedite the process such as parallel processing have been explored and implemented while continuing to maintain the highest integrity and value of the data. To minimize fragment handling, automated systems have been developed and implemented. Errors due to human inputs are also minimized by the use of these automated systems. This paper discusses the processes and challenges involved in the collection, extraction, and characterization of the fragments as well as the time required to complete the processes. The objective is to provide the orbital debris community an understanding of the scale of the effort required to generate and archive high quality data and metadata for each debris fragment 2 mm or larger generated by the DebriSat project.

Shiotani, B.↗

Noise radiation directivity from a wind-tunnel inlet with inlet vanes and duct wall linings

The acoustic radiation patterns from a 1/15th scale model of the Ames 80- by 120-Ft Wind Tunnel test section and inlet have been measured with a noise source installed in the test section. Data were acquired without airflow in the duct. Sound-absorbent inlet vanes oriented parallel to each other, or splayed with a variable incidence relative to the duct long axis, were evaluated along with duct wall linings. Results show that splayed vans tend to spread the sound to greater angles than those measured with the open inlet. Parallel vanes narrowed the high-frequency radiation pattern. Duct wall linings had a strong effect on acoustic directivity by attenuating wall reflections. Vane insertion loss was measured. Directivity results are compared with existing data from square ducts. Two prediction methods for duct radiation directivity are described: one is an empirical method based on the test data, and the other is a analytical method based on ray acoustics.

Soderman, P. T.↗

Reconstruction for Liquid Argon TPC Neutrino Detectors Using Parallel Architectures [Slides]

Neutrinos are particles that interact rarely, so identifying them requires large detectors which produce lots of data. Processing this data with the computing power available is becoming more difficult as the detectors increase in size to reach their physics goals. In liquid argon time projection chambers (TPCs) the charged particles from neutrino interactions produce ionization electrons which drift in an electric field towards a series of collection wires, and the signal on the wires is used to reconstruct the interaction. The MicroBooNE detector currently collecting data at Fermilab has 8000 wires, and planned future experiments like DUNE will have 100 times more, which means that the time required to reconstruct an event will scale accordingly. Modernization of liquid argon TPC reconstruction code, including vectorization, parallelization and code portability to GPUs, will help to mitigate these challenges. The liquid argon TPC hit finding algorithm within the L arSoft framework used across multiple experiments has been vectorized and parallelized. This increases the speed of the algorithm on the order of ten times within a stand alone version on Intel architectures. This new version has been incorporated back into LarSoft so that it can be generally used. These methods will also be applied to other low level reconstruction of the wire signals such as the deconvolution. The applications and performance of this modernized liquid argon TPC wire reconstruction will be presented.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Periodic oscillations of the quasi-parallel bow shock as observed with the AMPTE/CCE spacecraft

The AMPTE/CCE spacecraft has, on occasion, encountered the earth's bow shock near apogee (about 9 earth radii). During one encounter, on November 1, 1984, the bow shock was observed to pass back and forth over the spacecraft several times in a periodic fashion. The period of the oscillation was about 20 seconds, and an upstream wave with a similar period was observed in the solar wind just prior to the multiple shock crossings. Minimum variance analysis of the shock crossings shows that the magnetic field carried out a single rotation through 360 deg for each pair of shock crossings. This implies that the shock was responding to the rotation of the field in the upstream wave, and it is shown how the plasma displacement associated with the upstream wave can produce the observed oscillations. These data may provide support for the wavelike structure of quasi-parallel shocks predicted in simulations.

Strangeway, R. J.↗

A Parallel Computing Infrastructure for Building Energy Simulation

In order to study grid-interactive efficient buildings, Pacific Northwest National Laboratories (PNNL) needs an infrastructure for urban-scale building energy modeling. Such an infrastructure should be fast, scalable, and easy-to-use. Given a set of data from the Energy Information Administration’s Commercial Building Energy Consumption Survey (CBECS) and tool to translate survey data into simulation inputs, this project aimed to conduct the simulation of the entire dataset in parallel. Before running the simulations, the necessary software was bundled into a container for use on the PNNL supercomputing network. Then, the parallel simulation workflow was designed using GNU Make, a file creation software, and submitted to a supercomputing partition which could run hundreds of simulations simultaneously. The EnergyPlus simulations output hourly electric meter data for each CBECS sample, which represents the electricity consumption of similar commercial buildings across the United States. Analyzing and visualizing the meter data is important to the future of the work, and this project wrote code to make common analysis methods simple, fast, and accessible. Moving forwards, the model will need to be expanded to include data from other sources and its accuracy will need to be improved and eventually validated.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Modeling performance of data collection systems for high-energy physics

Exponential increases in scientific experimental data are outpacing silicon technology progress, necessitating heterogeneous computing systems—particularly those utilizing machine learning (ML)—to meet future scientific computing demands. The growing importance and complexity of heterogeneous computing systems require systematic modeling to understand and predict the effective roles for ML. We present a model that addresses this need by framing the key aspects of data collection pipelines and constraints and combining them with the important vectors of technology that shape alternatives, computing metrics that allow complex alternatives to be compared. For instance, a data collection pipeline may be characterized by parameters such as sensor sampling rates and the overall relevancy of retrieved samples. Alternatives to this pipeline are enabled by development vectors including ML, parallelization, advancing CMOS, and neuromorphic computing. By calculating metrics for each alternative such as overall F1 score, power, hardware cost, and energy expended per relevant sample, our model allows alternative data collection systems to be rigorously compared. We apply this model to the Compact Muon Solenoid experiment and its planned high luminosity-large hadron collider upgrade, evaluating novel technologies for the data acquisition system (DAQ), including ML-based filtering and parallelized software. The results demonstrate that improvements to early DAQ stages significantly reduce resources required later, with a power reduction of 60% and increased relevant data retrieval per unit power (from 0.065 to 0.31 samples/kJ). However, we predict that further advances will be required in order to meet overall power and cost constraints for the DAQ.

Olin-Ammentorp, Wilkie (ORCID:0000000224729862)↗

One GHz digitizer for space based laser altimeter

This is the final report for the research and development of the one GHz digitizer for space based laser altimeter. A feasibility model was designed, built, and tested. Only partial testing of essential functions of the digitizer was completed. Hybrid technology was incorporated which allows analog storage (memory) of the digitally sampled data. The actual sampling rate is 62.5 MHz, but executed in 16 parallel channels, to provide an effective sampling rate of one GHz. The average power consumption of the one GHz digitizer is not more than 1.5 Watts. A one GHz oscillator is incorporated for timing purposes. This signal is also made available externally for system timing. A software package was also developed for internal use (controls, commands, etc.) and for data communication with the host computer. The digitizer is equipped with an onboard microprocessor for this purpose.

Staples, Edward J.↗

Aberration‐Corrected Transmission Electron Microscopy and In Situ XAFS Structural Characterization of Pt/γ‐Al 2 O 3 Nanoparticles

Abstract Aberration‐corrected (AC) STEM, AC TEM and in situ X‐ray absorption fine structure spectroscopy (XAFS) were used to characterize the Pt clusters present on a 0.35 wt % Pt on γ‐alumina support after reduction in hydrogen at 700 °C. STEM high‐angle annular dark field imaging shows that cluster formation takes place at temperatures up to approximately 350 °C, and this is followed by gradual growth in cluster size for heat treatments in hydrogen up to 700 °C. The STEM data show that after 700 °C reduction the Pt clusters are present in a narrow size distribution centered at 0.88 nm, and using a method involving a redistribution of the Pt atoms using a high electron dosage in the STEM, it is shown that the clusters are present in two‐dimensional morphology. This conclusion is verified using intensity line scans. The in situ extended X‐ray absorption fine structure data are in good agreement with these observations. High‐resolution AC–TEM, which uses a broad coherent electron beam, and can thus offer advantages relative to STEM for structure determination of fine clusters, supported by image simulations of through‐focus series, were used to analyze the structures of Pt particles. The structures determined by using AC–TEM are consistent with STEM and EXAFS data in having a flat two‐dimensional morphology. Comparison of AC–STEM and AC TEM data for the same 700 °C reduced sample suggests that parallel‐beam TEM mode of imaging may be advantageous because of the less pronounced beam‐induced structural rearrangements that occur when imaging with a fine STEM probe.

Sinkler, Wharton↗

TECA: Petascale pattern recognition for climate science

Climate Change is one of the most pressing challenges facing humanity in the 21st century. Climate simulations provide us with a unique opportunity to examine effects of anthropogenic emissions. Highresolution climate simulations produce “Big Data”: contemporary climate archives are ≈ 5PB in size and we expect future archives to measure on the order of Exa-Bytes. In this work, we present the successful application of TECA (Toolkit for Extreme Climate Analysis) framework, for extracting extreme weather patterns such as Tropical Cyclones, Atmospheric Rivers and Extra-Tropical Cyclones from TB-sized simulation datasets. TECA has been run at full-scale on Cray XE6 and IBM BG/Q systems, and has reduced the runtime for pattern detection tasks from years to hours. TECA has been utilized to evaluate the performance of various computational models in reproducing the statistics of extreme weather events, and for characterizing the change in frequency of storm systems in the future.

54 ENVIRONMENTAL SCIENCES↗

Characterizing the performance of node-aware strategies for irregular point-to-point communication on heterogeneous architectures

Supercomputer architectures are trending toward higher computational throughput due to the inclusion of heterogeneous compute nodes. These multi-GPU nodes increase on-node computational efficiency, while also increasing the amount of data to be communicated and the number of potential data flow paths. In this work, we characterize the performance of irregular point-to-point communication with MPI on heterogeneous compute environments through performance modeling, demonstrating the limitations of standard communication strategies for both device-aware and staging-through-host communication techniques. Presented models suggest staging communicated data through host processes then using node-aware communication strategies for high inter-node message counts. Notably, the models also predict that node-aware communication utilizing all available CPU cores to communicate inter-node data leads to the most performant strategy when communicating with a high number of nodes. Furthermore, model validation is provided via a case study of irregular point-to-point communication patterns in distributed sparse matrix–vector products. Importantly, we include a discussion on the implications model predictions have on communication strategy design for emerging supercomputer architectures.

97 MATHEMATICS AND COMPUTING↗

Laser Ablation-Aerosol Mass Spectrometry-Chemical Ionization Mass Spectrometry for Ambient Surface Imaging

Mass spectrometry imaging is becoming an increasingly common analytical technique due to its ability to provide spatially resolved chemical information. In this paper, we report a novel imaging approach combining laser ablation with two mass spectrometric techniques, aerosol mass spectrometry and chemical ionization mass spectrometry, separately and in parallel. Both mass spectrometric methods provide the fast response, rapid data acquisition, low detection limits, and high-resolution peak separation desirable for imaging complex samples. Additionally, the two techniques provide complementary information with aerosol mass spectrometry providing near universal detection of all aerosol molecules and chemical ionization mass spectrometry with a heated inlet providing molecular-level detail of both gases and aerosols. The two techniques operate with atmospheric pressure interfaces and require no matrix addition for ionization, allowing for samples to be investigated in their native state under ambient pressure conditions. We demonstrate the ability of laser ablation-aerosol mass spectrometry-chemical ionization mass spectrometry (LA-AMS-CIMS) to create 2D images of both standard compounds and complex mixtures. Finally, the results suggest that LA-AMS-CIMS, particularly when combined with advanced data analysis methods, could have broad applications in mass spectrometry imaging applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Polarized Soft X-ray Scattering Reveals Chain Orientation within Nanoscale Polymer Domains

Fully conjugated donor-acceptor block copolymers can serve as the active layer in organic photovoltaics and other organic electronic devices. Additionally, self-assembly into periodic domains and crystallization of the constituent blocks are crucial to enable control of the multiscale structure and consequently electronic properties. Resonant soft X-ray scattering (RSoXS) is an invaluable tool to characterize such materials, where tuning the X-ray energy and polarization reveals molecular orientation and domain spacing. In this work, anisotropic soft X-ray scattering data reveal the type and degree of orientation within conjugated block copolymers composed of poly(3-hexylthiophene-2,5-diyl) and various push-pull copolymers. The maximum anisotropy is observed at the scattering vector corresponding to the spacing between block copolymer domains, which scales with the end-to-end distance of the blocks, as expected. Furthermore, the anisotropy in RSoXS data reveals that the crystalline P3HT blocks orient, on average, parallel or nearly parallel to the block copolymer interface; the average tilt angle between P3HT chains and domain interfaces can be extracted from the dependence of the anisotropy with polar angle. We interpret this angle to correspond to the average tilt of rings in the unit cell, potentially within a chiral mesostructure. Results are corroborated with scattering calculations based on simple model structures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Collective I/O Tuning Using Analytical and Machine-Learning Models

The ever larger demand of scientific applications for computation and data is currently driving a continuous increase in scale of parallel computers. The inherent complexity of scaling up a computing systems in terms of both hardware and software stack exposes an increasing number of factors impacting the performance and complicating the process of optimization. In particular, the optimization of parallel I/O has become increasingly challenging due to increasing storage hierarchy and well known performance variability of shared storage systems. This paper focuses on model-based autotuning of the two-phase collective I/O algorithm from a popular MPI distribution on the Blue Gene/Q architecture. We propose a novel hybrid model, constructed as a composition of analytical models for communication and storage operations and black-box models for the performance of the individual operations. We perform an in-depth study of the complexity involved in performance modeling including architecture, software stack and noise. In particular we address this challenges of modeling the performance of shared storage systems by building a benchmark that helps synthesizing factors such as topology, file caching, and noise. The experimental results show that the hybrid approach produces significantly better results than state-of-the-art machine learning approaches and shows a higher robustness to noise, at the cost of a higher modeling complexity

I/O performance modeling↗

Exacution: Enhancing Scientific Data Management for Exascale

As we continue toward exascale, scientific data volume is continuing to scale and becoming more burdensome to manage. In this paper, we lay out opportunities to enhance state of the art data management techniques. We emphasize well-principled data compression, and using it to achieve progressive refinement. This can both accelerate I/O and afford the user increased flexibility when she interacts with the data. The formulation naturally maps onto enabling partitioning of the progressively improving-quality representations of a data quantity into different media-type destinations, to keep the highest priority information as close as possible to the computation, and take advantage of deepening memory/storage hierarchies in ways not previously possible. Careful monitoring is requisite to our vision, not only to verify that compression has not eliminated salient features in the data, but also to better understand the performance of massively parallel scientific applications. Increased mathematical rigor would be ideal,to help bring compression on a better-understood theoretical footing, closer to the relevant scientific theory, more aware of constraints imposed by the science, and more tightly error-controlled. Throughout, we highlight pathfinding research we have begun exploring related these topics, and comment toward future work that will be needed.

97 MATHEMATICS AND COMPUTING↗