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At least 541 records · Page 30

AGS-GNN: Attribute-guided Sampling for Graph Neural Networks

We propose AGS-GNN, a novel attribute-guided sampling algorithm for Graph Neural Networks (GNNs) that exploits node features and connectivity structure of a graph while simultaneously adapting for both homophily and heterophily in graphs. (In homophilic graphs vertices of the same class are more likely to be connected, and vertices of different classes tend to be linked in heterophilic graphs.) While GNNs have been successfully applied to homophilic graphs, their application to heterophilic graphs remains challenging. The best-performing GNNs for heterophilic graphs do not fit the sampling paradigm, suffer high computational costs, and are not inductive. We employ samplers based on feature-similarity and feature-diversity to select subsets of neighbors for a node, and adaptively capture information from homophilic and heterophilic neighborhoods using dual channels. Currently, AGS-GNN is the only algorithm that we know of that explicitly controls homophily in the sampled subgraph through similar and diverse neighborhood samples. For diverse neighborhood sampling, we employ submodularity, which was not used in this context prior to our work. The sampling distribution is pre-computed and highly parallel, achieving the desired scalability. Using an extensive dataset consisting of 35 small (<=100K nodes) and large (>100K nodes) homophilic and heterophilic graphs, we demonstrate the superiority of AGS-GNN compare to the current approaches in the literature. AGS-GNN achieves comparable test accuracy to the best-performing heterophilic GNNs, even outperforming methods using the entire graph for node classification. AGS-GNN also converges faster compared to methods that sample neighborhoods randomly, and can be incorporated into existing GNN models that employ node or graph sampling.

artificial intelligence↗

Feasibility of vibro-acoustography with a quasi-2D ultrasound array transducer for detection and localizing of permanent prostate brachytherapy seeds: A pilot ex vivo study

Purpose: Effective permanent prostate brachytherapy (PPB) requires precise placement of radioactive seeds in and around the prostate. The impetus for this research is to examine a new ultrasound-based imaging modality, vibro-acoustography (VA), which may serve to provide a high rate of PPB seed detection while also effecting enhanced prostate imaging. The authors investigate the ability of VA, implemented on a clinical ultrasound (US) scanner and equipped with a quasi-2D (Q2D) array US transducer, to detect and localize PPB seeds in excised prostate specimens. Methods: Nonradioactive brachytherapy seeds were implanted into four excised cadaver prostates. A clinical US scanner equipped with a Q2D array US transducer was customized to acquire both US and C-scan VA images at various depths. The VA images were then used to detect and localize the implanted seeds in prostate tissue. To validate the VA results, computed tomography (CT) images of the same tissue samples were obtained to serve as the reference by which to evaluate the performance of VA in PPB seed detection. Results: The results indicate that VA is capable of accurately identifying the presence and distribution of PPB seeds with a high imaging contrast. Moreover, a large ratio of the PPB seeds implanted into prostate tissue samples could be detected through acquired VA images. Using CT-based seed identification as the standard, VA was capable of detecting 74%–92% of the implanted seeds. Additionally, the angular independency of VA in detecting PPB seeds was demonstrated through a well-controlled phantom experiment. Conclusions: Q2DVA detected a substantial portion of the seeds by using a 2D array US transducer in excised prostate tissue specimens. While VA has inherent advantages associated with conventional US imaging, it has the additional advantage of permitting detection of PPB seeds independent of their orientation. These results suggest the potential of VA as a method for PPB imaging that ultimately may allow US-based real-time intraoperative dosimetry.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Aerosol and Cloud Experiments in the Eastern North Atlantic (ACE-ENA) Winter Intensive Operational Period: Aerodynamic Particle Sizer Field Campaign Report

An aerodynamic particle sizer spectrometer (APS, model 3321 by TSI Inc., Shoreview, Minnesota) was deployed at the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) user facility Eastern North Atlantic (ENA) observatory during the second (winter) intensive operational period (IOP) of the Aerosol and Cloud Experiments in the Eastern North Atlantic (ACE-ENA) field campaign. Data were collected from January 9 through February 26, 2018, covering the second deployment of the ARM Aerial Facility (AAF) aircraft within ACE-ENA. The standard ENA instrument suite does not provide measurements of aerosol particle size distribution for diameters greater than one micron. Properties of coarse-mode (super-micron) aerosols are rarely measured, although super-micron particles can play an important role in the aerosol life cycle, affecting aerosol optical properties and cloud nuclei activity (e.g., Clarke et al. 2003). The APS was deployed to fill this gap in particle size measurements: it is capable of measuring size-resolved concentration of the aerosols in the 0.5-20 μm range (aerodynamic diameter). The APS was installed in the aerosol trailer to sample through the main stack. Special attention was given to selection of the instrument location (just below the main stack) to minimize particle losses in the connecting lines. Most atmospheric aerosols are hygroscopic, so the measurement of the aerosol size distributions should either be performed in a controlled humidity environment or accompanied by concurrent measurement of the temperature and humidity of the sample air. The latter strategy was used during this deployment: a high-precision humidity/temperature transmitter (model EE08 by E+E Elektonik GMBH, Engerwitzdorf, Germany) was mounted in the APS sampling line immediately upstream of the APS inlet. A dedicated laptop computer was used for data collection and communications. The APS was controlled with vendor-supplied software (Aerosol Instrument Manager, ver. 10.1, TSI); aerosol size distribution data were collected over a period of 55 seconds and converted to one-minute averages. Temperature and humidity analog signals were acquired via analog-to-digital converter (ADC) module (model WTAIN-M by Weeder Technologies, Fort Walton Beach, Florida) using vendor-supplied software (ModCom) with 1- sec resolution. In post-processing, the APS data were exported from TSI proprietary format into “comma-separated value” American Standard Code for Information Interchange (ASCII) files and matched with appropriately averaged temperature and humidity data. Two significant periods of missing data were caused by local power outages. Vendor-supplied software was not designed for unattended operation: it needs to be manually restarted including sensor configuration setup.

ACE-ENA, Azores, ultra-high-sensitivity aerosol sp↗

Proximity Portability and in Transit , M-to-N Data Partitioning and Movement in SENSEI [Book Chapter]

In high-performance parallel in situ processing, the term in transit processing refers to those configurations where data must move from a producer to a consumer that runs on separate resources. In the context of parallel and distributed computing on an HPC platform one of the central challenges is to determine a mapping of data from producer ranks to consumer ranks. This problem is complicated by the heterogeneity that arises in producer-consumer pairs, such as when producer and consumer codes have different levels of concurrency, different scaling characteristics, or different data models. The resulting mapping and movement of data from M producer to N consumer ranks can have a significant impact on aggregate application performance, particularly when the data consumer requires only a subset of the overall data for its task. This chapter focuses on the design considerations that underlie SENSEI’s implementation to this challenging problem. These design considerations extend the core SENSEI architecture and include ideas like the need to accommodate flexibility in the choice of different partitioning methods, the ability for a data consumer to request and receive only the subset of data needed for its particular operation, and the ability to leverage any of several different data transport tools. The idea of proximity portability, being able to use different data transport methods as part of an in transit workflow, is illustrated through the use of three different transport layers where switching from one transport tool to another is accomplished with only a configuration file change. Here, the chapter also includes a performance analysis summary showing the performance gains that are possible in terms of multiple metrics, such as memory footprint, time to solution, and amount of data moved, when using optimized partitioners in an in transit setting, gains that are made possible by the implementation shaped by specific design considerations.

Bethel, E. Wes↗

Simulation of Internal Combustion Engines with High-Performance Computing Tools

Traditional Lagrangian spray modeling approaches for internal combustion engines are highly griddependent due to insufficient resolution in the near nozzle region. This is primarily because of inherent restrictions of volume fraction with the Lagrangian assumption together with high computational costs associated with small grid sizes. A state-of-the-art grid-convergent spray modeling approach was developed and implemented by Senecal et al. (ASME-ICEF2012-92043) in the CONVERGE software. The key features of the methodology include Adaptive Mesh Refinement (AMR), advanced liquid-gas momentum coupling, and improved distribution of the liquid phase, which enables use of cell sizes smaller than the nozzle diameter. This modeling approach was rigorously validated against nonevaporating, evaporating, and reacting data from the literature. The current numerical study focusses on further demonstration of the grid-convergent modeling approach for simulating a single-cylinder Cat® compression ignition engine. The simulated injector is characterized with a nominal nozzle exit diameter of 259 μm. Simulations using various minimum grid sizes (ranging from 125 μm to 1000 μm) are compared for engine performance and emissions parameters of interest such as pressure, heat release rate, ignition delay, NOx, HC, and soot emissions. The peak cell-count for the highest resolution simulation was on the order of 34 million. These computationally expensive simulations were facilitated at a high-performance computing facility at Argonne National Laboratory. METIS load-balancing algorithm was developed and implemented in Converge code for the simulations. Scaling studies were also performed. The validity of previously recommended grid settings (ASME-ICEF2012-92043) for accuracy/runtime trade-off is further assessed. Efficacy of a simplified combustion model is also compared against a detailed chemical kinetics based combustion model.

33 ADVANCED PROPULSION SYSTEMS↗

PETSc Users Manual (Revision 3.15)

This manual describes the use of the Portable, Extensible Toolkit for Scientific Computation (PETSc) for the numerical solution of partial differential equations and related problems on high-performance computers. PETSc is a suite of data structures and routines that provide the building blocks for the implementation of large-scale application codes on parallel (and serial) computers. PETSc uses the MPI standard for all distributed memory communication.

97 MATHEMATICS AND COMPUTING↗

Userspace Squash Filesystem for Launching Linux Containers on HPC Systems [Thesis]

The demand for user defined software stacks (UDSS) has been increasing in the high-performance computing (HPC) community. Container technology has become popular due to the flexibility and isolation it provides to HPC users. Container images must be available to all nodes involved for use in HPC and can be distributed to compute nodes in a variety of ways. A common method for container image distribution is to simply copy the container image to memory on each compute node, which can be time consuming at scale, and uses valuable memory on each node. The kernel mounted squash filesystem (squashfs) has proven fast and efficient for this task but requires root-level access. This paper will show a user space mounted squashfs is an efficient and secure solution for container image distribution.

97 MATHEMATICS AND COMPUTING↗

PETSc/TAO Users Manual: Revision 3.18

This manual describes the use of the Portable, Extensible Toolkit for Scientific Computation (PETSc) and the Toolkit for Advanced Optimization (TAO) for the numerical solution of partial differential equations and related problems on high-performance computers. PETSc/TAO is a suite of data structures and routines that provide the building blocks for the implementation of large-scale application codes on parallel (and serial) computers. PETSc uses the MPI standard for all distributed memory communication.

97 MATHEMATICS AND COMPUTING↗

PETSc/TAO Users Manual (Rev. 3.19)

This manual describes the use of the Portable, Extensible Toolkit for Scientific Computation (PETSc) and the Toolkit for Advanced Optimization (TAO) for the numerical solution of partial differential equations and related problems on high-performance computers. PETSc/TAO is a suite of data structures and routines that provide the building blocks for the implementation of large-scale application codes on parallel (and serial) computers. PETSc uses the MPI standard for all distributed memory communication. PETSc/TAO includes a large suite of parallel linear solvers, nonlinear solvers, time integrators, and opti mization that may be used in application codes written in Fortran, C, C++, and Python (via petsc4py; see Getting Started). PETSc provides many of the mechanisms needed within parallel application codes, such as parallel matrix and vector assembly routines. The library is organized hierarchically, enabling users to employ the level of abstraction that is most appropriate for a particular problem. By using techniques of object-oriented programming, PETSc provides enormous flexibility for users. PETSc is a sophisticated set of software tools; as such, for some users it initially has a much steeper learning curve than packages such as MATLAB or a simple subroutine library. In particular, for individuals without some computer science background, experience programming in C, C++, python, or Fortran and experience using a debugger such as gdb or lldb, it may require a significant amount of time to take full advantage of the features that enable efficient software use. However, the power of the PETSc design and the algorithms it incorporates may make the efficient implementation of many application codes simpler than “rolling them” yourself. For many tasks a package such as MATLAB is often the best tool; PETSc is not intended for the classes of problems for which effective MATLAB code can be written. There are several packages, built on PETSc, that may satisfy your needs without requiring directly using PETSc. We recommend reviewing these packages functionality before starting to code directly with PETSc. PETSc can be used to provide a “MPI parallel linear solver” in an otherwise sequential, or OpenMP parallel code. This approach cannot provide extremely large improvements in the application time by utilizing large numbers of MPI processes but can still improve the performance. Certainly all parts of a previously sequential code need not be parallelized but the matrix generation portion must be parallelized to expect true scalability to large numbers of MPI processes. See PCMPI for details on how to utilize the PETSc MPI linear solver server. Since PETSc is under continued development, small changes in usage and calling sequences of routines will occur. PETSc has been supported for twenty-five years; see mailing list information on our website for information on contacting support.

97 MATHEMATICS AND COMPUTING↗

PETSc/TAO Users Manual (Rev. 3.20)

This manual describes the use of the Portable, Extensible Toolkit for Scientific Computation (PETSc) and the Toolkit for Advanced Optimization (TAO) for the numerical solution of partial differential equations and related problems on high-performance computers. PETSc/TAO is a suite of data structures and routines that provide the building blocks for the implementation of large-scale application codes on parallel (and serial) computers. PETSc uses the MPI standard for all distributed memory communication.

97 MATHEMATICS AND COMPUTING↗

Performance of computer-optimized tapered-roller bearings to 2.4 million DN

The performance of 120.65 mm bore high speed design tapered roller bearings was investigated at shaft speeds to 20,000 rpm under combined thrust and radial load. The test bearing design was computer optimized for high speed operation. Temperature distribution and bearing heat generation were determined as a function of shaft speed, radial and thrust loads, lubricant flow rates, and lubricant inlet temperature. The roller bearing operated successfully at shaft speeds up to 20,000 rpm under heavy thrust and radial loads. Cup cooling was effective in decreasing the high cup temperatures to levels equal to the cone temperature.

Parker, R. J.↗

High speed propeller performance and noise predictions at takeoff/landing conditions

The performance and noise of a high speed SR-7A model propeller under takeoff/landing conditions are considered. The blade loading distributions are obtained by solving the three-dimensional Euler equations and the sound pressure levels are computed using a time domain approach. At the nominal takeoff operating point, the blade sections near the hub are lightly or negatively loaded. The chordwise loading distributions are distinctly different from those of cruise conditions. The noise of the SR-7A model propeller at takeoff is dominated by the loading noise, similar to that at cruise conditions. The waveforms of the acoustic pressure signature are nearly sinusoidal in the plane of the propeller. The computed directivity of the blade passing frequency tone agrees fairly well with the data at nominal takeoff blade angle.

Nallasamy, M.↗

High speed propeller performance and noise predictions at takeoff/landing conditions

The performance and noise of a high speed SR-7A model propeller under takeoff/landing conditions are considered. The blade loading distributions are obtained by solving the three-dimensional Euler equations and the sound pressure levels are computed using a time domain approach. At the nominal takeoff operating point, the blade sections near the hub are lightly or negatively loaded. The chordwise loading distributions are distinctly different from those of cruise conditions. The noise of the SR-7A model propeller at takeoff is dominated by the loading noise, similar to that at cruise conditions. The waveforms of the acoustic pressure signature are nearly sinusoidal in the plane of the propeller. The computed directivity of the blade passing frequency tone agrees fairly well with the data at nominal takeoff blade angle.

Nallasamy, M.↗

Ring-array processor distribution topology for optical interconnects

The existing linear and rectangular processor distribution topologies for optical interconnects, although promising in many respects, cannot solve problems such as clock skews, the lack of supporting elements for efficient optical implementation, etc. The use of a ring-array processor distribution topology, however, can overcome these problems. Here, a study of the ring-array topology is conducted with an aim of implementing various fast clock rate, high-performance, compact optical networks for digital electronic multiprocessor computers. Practical design issues are addressed. Some proof-of-principle experimental results are included.

Li, Yao↗

Longitudinal Aerodynamic Characteristics and Wing Pressure Distributions of a Blended-Wing-Body Configuration at Low and High Reynolds Numbers

Force balance and wing pressure data were obtained on a 0.017-Scale Model of a blended-wing-body configuration (without a simulated propulsion system installation) to validate the capability of computational fluid dynamic codes to predict the performance of such thick sectioned subsonic transport configurations. The tests were conducted in the National Transonic Facility of the Langley Research Center at Reynolds numbers from 3.5 to 25.0 million at Mach numbers from 0.25 to 0.86. Data were obtained in the pitch plane only at angles of attack from -1 to 8 deg at Mach numbers greater than 0.25. A configuration with winglets was tested at a Reynolds number of 25.0 million at Mach numbers from 0.83 to 0.86.

Re, Richard J.↗

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↗

NPTFit: A Code Package for Non-Poissonian Template Fitting

We present NPTFit, an open-source code package, written in Python and Cython, for performing non-Poissonian template fits (NPTFs). The NPTF is a recently developed statistical procedure for characterizing the contribution of unresolved point sources (PSs) to astrophysical data sets. The NPTF was first applied to Fermi gamma-ray data to provide evidence that the excess of ∼GeV gamma-rays observed in the inner regions of the Milky Way likely arises from a population of sub-threshold point sources, and the NPTF has since found additional applications studying sub-threshold extragalactic sources at high Galactic latitudes. The NPTF generalizes traditional astrophysical template fits to allow for the ability to search for populations of unresolved PSs that may follow a given spatial distribution. NPTFit builds upon the framework of the fluctuation analyses developed in X-ray astronomy, thus it likely has applications beyond those demonstrated with gamma-ray data. The NPTFit package utilizes novel computational methods to perform the NPTF efficiently. The code is available at http://github.com/bsafdi/NPTFit and up-to-date and extensive documentation may be found at http://nptfit.readthedocs.io.

79 ASTRONOMY AND ASTROPHYSICS↗