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FrESCO

The National Cancer Institute (NCI) monitors population level cancer trends as part of its Surveillance, Epidemiology, and End Results (SEER) program. This program consists of state or regional level cancer registries which collect, analyze, and annotate cancer pathology reports. From these annotated pathology reports, each individual registry aggregates cancer phenotype information and summary statistics about cancer prevalence to facilitate population level monitoring of cancer incidence. Extracting cancer phenotype from these reports is a labor intensive task, requiring specialized knowledge about the reports and cancer. Automating this information extraction process from cancer pathology reports has the potential to improve not only the quality of the data by extracting information in a consistent manner across registries, but to improve the quality of patient outcomes by reducing the time to assimilate new data and enabling time-sensitive applications such as precision medicine. Here we present FrESCO: Framework for Exploring Scalable Computational Oncology, a modular deep-learning natural language processing (NLP) library for extracting pathology information from clinical text documents.

Spannaus, Adam [Oak Ridge National Lab. (ORNL), Oa↗

PHYSICS OF ECLIPSING BINARIES. II. TOWARD THE INCREASED MODEL FIDELITY

The precision of photometric and spectroscopic observations has been systematically improved in the last decade, mostly thanks to space-borne photometric missions and ground-based spectrographs dedicated to finding exoplanets. The field of eclipsing binary stars strongly benefited from this development. Eclipsing binaries serve as critical tools for determining fundamental stellar properties (masses, radii, temperatures, and luminosities), yet the models are not capable of reproducing observed data well, either because of the missing physics or because of insufficient precision. This led to a predicament where radiative and dynamical effects, insofar buried in noise, started showing up routinely in the data, but were not accounted for in the models. PHOEBE (PHysics Of Eclipsing BinariEs; http://phoebe-project.org) is an open source modeling code for computing theoretical light and radial velocity curves that addresses both problems by incorporating missing physics and by increasing the computational fidelity. In particular, we discuss triangulation as a superior surface discretization algorithm, meshing of rotating single stars, light travel time effects, advanced phase computation, volume conservation in eccentric orbits, and improved computation of local intensity across the stellar surfaces that includes the photon-weighted mode, the enhanced limb darkening treatment, the better reflection treatment, and Doppler boosting. Here we present the concepts on which PHOEBE is built and proofs of concept that demonstrate the increased model fidelity.

79 ASTRONOMY AND ASTROPHYSICS↗

Prelaunch testing of the laser geodynamic satellite (LAGEOS)

The LAGEOS was extensively tested optically prior to launch. The measurement techniques used are described and resulting data is presented. Principal emphasis was placed on pulse spreading characteristics, range correction for center of mass tracking, and pulse distortion due to coherent effects. A mode-locked freqeuncy doubled Nd:YAG laser with a pulse width of about 60 ps was used as the ranging transmitter and a crossfield photo-multiplier was used in the receiver. High speed sampling electronics were employed to increase receiver bandwidth. LAGEOS reflected pulses typically had a width of 250 ps with a variability in the range correction of less than 2 mm rms. Pulse distortion due to coherent effects was inferred from average waveforms and appears to introduce less than + or - 50 ps jitter in the location of the pulse peak. Analytic results on this effect based on computer simulations are also presented. Theoretical and experimental data on the lidar cross section were developed in order to predict the strength of lidar echoes from the satellite. Cross section was measured using a large aperture laser collimating system to illuminate the LAGEOS. Reflected radiation far-field patterns were measured using the collimator in an autocollimating mode. Data were collected with an optical data digitzer and displayed as a three-dimensional plot of intensity versus the two far-field coordinates. Measurements were made at several wavelengths, for several types of polarizations, and as a function of satellite orientation.

Fitzmaurice, M. W.↗

A model for microwave intensity propagation in an inhomogeneous medium

A combined analytic and phenomenological approach, utilizing Maxwell's equations in the Born approximation with radiative transfer theory, is used to describe the propagation of microwave intensity in a scattering medium characterized by three-dimensional random fluctuations in refractive index, as well as nonrandom variations in permittivity, temperature, and loss. This approach yields microwave intensities as a function of polarization, direction, and position. Numerical techniques are presented to solve the transport equations, which include cases of spatially varying coefficients, and highly peaked phase functions. Some computed results illustrating the behavior of microwave intensity in various media are presented. Included are the angular and frequency spectra of thermal emission from semi-infinite media, and the diffuse transmission and reflection response of a scattering layer. The effects of scatterer geometry and scale sizes; correlation function; and gradients in temperature, loss, and scattering parameters are also demonstrated. This model should be particularly useful in interpreting active and passive remote sensing data.

Fisher, A. D.↗

Intensity dependent spread processor and workstation

The Intensity Dependent Spread (IDS) is an adaptive algorithm which is modified according to the local intensity in the scene. (This results in a nonlinear process which cannot take advantage of rather nice linear transform methods.) The computation is similar to a neural net whereby intensity information is moving from each input pixel to a set of surrounding output pixels in a manner described by Cornsweet and Yellott. A prototype of a very large scale integration IDS processor is being developed and implemented in a workstation environment. The workstation consists of a SUN 3/260 and a DATACUBE pipeline processor. The IDS prototype is a board set which operates in the DATA CUBE processor. The SUN 3/260 performs control, background processing, IDS simulation and image display functions.

Westrom, George↗

Analyzing rocket plume spectral data with neural networks

The Optical Plume Anomaly Detection (OPAD) system is under development to provide early-warning failure detection in support of ground-level testing of the Space Shuttle Main Engine (SSME). Failure detection is to be achieved through the acquisition of spectrally resolved plume emissions and subsequent identification of abnormal levels indicative of engine corrosion or component failure. Two computer codes (one linear and the other non-linear) are used by the OPAD system to iteratively determine specific element concentrations in the SSME plume, given emission intensity and wavelength information. Since this analysis is extremely labor intensive, a study was initiated to develop neural networks that would model the 'inverse' of these computer codes. Optimally connected feed-forward networks with imperceptible prediction error have been developed for each element modeled by the linear code, SPECTRA4. Radial basis function networks were developed for the non-linear code, SPECTRA5, and predict combustion temperature in addition to element concentrations.

Whitaker, Kevin W.↗

Draco,Version 6.x.x

Draco is an object-oriented component library geared towards numerically intensive, radiation (particle) transport applications built for parallel computing hardware. It consists of semi-independent packages and a robust build system. The packages in Draco provide a set of components that can be used by multiple clients to build transport codes. The build system can also be extracted for use in clients. Software includes smart pointers, Design-by-Contract assertions, unit test framework, wrapped MPI functions, a file parser, unstructured mesh data structures, a random number generator, root finders and an angular quadrature component.

Thompson, Kelly↗

Effective Software Design and Development for the New Graph Architecture HPC Machines

Software applications need to change and adapt as modern architectures evolve. Nowadays advancement in chip design translates to increased parallelism. Exploiting such parallelism is a major challenge in modern software engineering. Multicore processors are about to introduce a significant change in the way we design and use fundamental data structures. In this work we describe the design and programming principles of a software library of highly concurrent scalable and nonblocking data containers. In this project we have created algorithms and data structures for handling fundamental computations in massively multithreaded contexts, and we have incorporated these into a usable library with familiar look and feel. In this work we demonstrate the first design and implementation of a wait-free hash table. Our multiprocessor data structure design allows a large number of threads to concurrently insert, remove, and retrieve information. Non-blocking designs alleviate the problems traditionally associated with the use of mutual exclusion, such as bottlenecks and thread-safety. Lock-freedom provides the ability to share data without some of the drawbacks associated with locks, however, these designs remain susceptible to starvation. Furthermore, wait-freedom provides all of the benefits of lock-free synchronization with the added assurance that every thread makes progress in a finite number of steps. This implies deadlock-freedom, livelock-freedom, starvation-freedom, freedom from priority inversion, and thread-safety. The challenges of providing the desirable progress and correctness guarantees of wait-free objects makes their design and implementation difficult. There are few wait-free data structures described in the literature. Using only standard atomic operations provided by the hardware, our design is portable; therefore, it is applicable to a variety of data-intensive applications including the domains of embedded systems and supercomputers.Our experimental evaluation shows that our hash table design outperforms the most advanced locking solution, provided by Intel's TBB library, by 22%. When compared to more traditional locking designs we show a performance improvement by a factor of 7.92. When compared to alternative non-blocking designs, our hash table demonstrates solid performance gains in a large majority of cases, typically by a factor of 3.44.

99 GENERAL AND MISCELLANEOUS↗

Flexible and Effective Object Tiering for Heterogeneous Memory Systems

Computing platforms that package multiple types of memory, each with their own performance characteristics, are quickly becoming mainstream. To operate efficiently, heterogeneous memory architectures require new data management solutions that are able to match the needs of each application with an appropriate type of memory. As the primary generators of memory usage, applications create a great deal of information that can be useful for guiding memory management, but the community still lacks tools to collect, organize, and leverage this information effectively. To address this gap, this work introduces a novel software framework that collects and analyzes object-level information to guide memory tiering. The framework includes tools to monitor the capacity and usage of individual data objects, routines that aggregate and convert this information into tier recommendations for the host platform, and mechanisms to enforce these recommendations according to user-selected policies. Moreover, the developed tools and techniques are fully automatic, work on standard Linux systems, and do not require modification or recompilation of existing software. Using this framework, this study evaluates and compares the impact of a variety of design choices for memory tiering, including different policies for prioritizing objects for the fast memory tier as well as the frequency and timing of migration events. In conclusion, the results, collected on a modern Intel platform with conventional DDR4 SDRAM as well as Intel Optane NVRAM, show that guiding data tiering with object-level information can enable significant performance and efficiency benefits compared with standard hardware- and software-directed data-tiering strategies for a diverse set of memory-intensive workloads.

97 MATHEMATICS AND COMPUTING↗

Position Verification for the Prostate: Effect on Rectal Wall Dose

Purpose: To evaluate the effect of gold marker (GM)-based position correction on the cumulative dose in the anorectal wall compared with traditional bony anatomy (BA)-based correction, taking into account changes in anorectal shape and position. Methods and Materials: A total of 20 consecutive prostate cancer patients, treated with curative external beam radiotherapy, were included. Four fiducial GMs were implanted in the prostate. Positioning was verified according to the shift in BA and GMs on daily electronic portal images. Position corrections were determined using on- and off-line position verification protocols according to the position of the GMs (GM-on and GM-off) and BA (BA-off). For all patients, intensity-modulated radiotherapy plans were made for the GM (8-mm planning target volume margin) and BA (10-mm planning target volume margin) protocols. The dose distribution was recomputed on 11 repeat computed tomography scans to estimate the accumulated dose to the prostate and anorectal wall while considering internal organ motion. Results: The dose that is at least received by 99% of the prostate was, on average, acceptable for all protocols. The individual patient data showed the best coverage for both GM protocols, with >95% of the prescribed dose for all patients. The anorectal wall dose was significantly lower for the GM protocols. The dose that is at least received by 30% of the rectal wall was, on average, 54.6 Gy for GM-on, 54.1 Gy for GM-off, and 58.9 Gy for BA-off (p <.001). Conclusion: Position verification with GM and reduced planning target volume margins yielded adequate treatment of the prostate and a lower rectal wall dose, even when accounting for independent movement of the prostate and anorectal wall.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

A new development on measurement and control software of SANS BATAN spectrometer (SMARTer) in Serpong, Indonesia

In 2005, the main computer for data acquisition and control system of Small-angle Neutron Scattering (SANS) BATAN Spectrometer (SMARTer) was replaced since it halted to operate the spectrometer. According to this replacement, the new software for data acquisition and control system has been developed in-house. Visual Basic programming language is used in developing the software. In the last two years, many developments have been made both in the hardware and also the software to conduct the experiment is more effective and efficient. Lately, the previous motor controller card (ISA Card) was replaced with the programmable motor controller card (PCI Card) for driving one motor of position sensitive detector (PSD), eight motors of four collimators, and six motors of six pinhole discs. This new control system software makes all motors can be moved simultaneously, then it reduces significantly the consuming time of setting up the instrument before running the experiment. Along with that development, the new data acquisition software under MS Windows operating system is also developed to drive a beam stopper in X-Y directions as well as to read the equipment status such as position of the collimators and PSD, to acquire neutron counts on monitor and PSD detectors, and also to manage 12 samples position automatically. A timer object which is set in one second to read the equipment status via serial port of the computer (RS232C), and general purpose interface board (GPIB) for reading the total counts of each pixel of the PSD from histogram memory was used in this new software. The experiment result displayed in real time on the main window, and the data is saved in the special format for further data reduction and analysis. The new software has been implemented and performed for experiment using a preset count or preset time mode for absolute scattering intensity method.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Final Report: Quantification of Uncertainty in Extreme Scale Computations (QUEST)

QUEST (\url{www.quest-scidac.org}) is a SciDAC Institute that is focused on uncertainty quantification (UQ) in large-scale scientific computations. Our goals are to (1) advance the state of the art in UQ mathematics, algorithms, and software; and (2) provide modeling, algorithmic, and general UQ expertise, together with software tools, to other SciDAC projects, thereby enabling and guiding a broad range of UQ activities in their respective contexts. QUEST is a collaboration among six institutions (Sandia National Laboratories, Los Alamos National Laboratory, the University of Southern California, Massachusetts Institute of Technology, the University of Texas at Austin, and Duke University) with a history of joint UQ research. Our vision encompasses all aspects of UQ in leadership-class computing. This includes the well-founded setup of UQ problems; characterization of the input space given available data/information; local and global sensitivity analysis; adaptive dimensionality and order reduction; forward and inverse propagation of uncertainty; handling of application code failures, missing data, and hardware/software fault tolerance; and model inadequacy, comparison, validation, selection, and averaging. The nature of the UQ problem requires the seamless combination of data, models, and information across this landscape in a manner that provides a self-consistent quantification of requisite uncertainties in predictions from computational models. Accordingly, our UQ methods and tools span an interdisciplinary space across applied math, information theory, and statistics. The MIT QUEST effort centers on statistical inference and methods for surrogate or reduced-order modeling. MIT personnel have been responsible for the development of adaptive sampling methods, methods for approximating computationally intensive models, and software for both forward uncertainty propagation and statistical inverse problems. A key software product of the MIT QUEST effort is the MIT Uncertainty Quantification library, called MUQ (\url{muq.mit.edu}).

97 MATHEMATICS AND COMPUTING↗

Modeling 3-D objects with planar surfaces for prediction of electromagnetic scattering

Electromagnetic scattering analysis of objects at resonance is difficult because low frequency techniques are slow and computer intensive, and high frequency techniques may not be reliable. A new technique for predicting the electromagnetic backscatter from electrically conducting objects at resonance is studied. This technique is based on modeling three dimensional objects as a combination of flat plates where some of the plates are blocking the scattering from others. A cube is analyzed as a simple example. The preliminary results compare well with the Geometrical Theory of Diffraction and with measured data.

Koch, M. B.↗

Heat transfer measurements from a smooth NACA 0012 airfoil

Local convective heat transfer coefficients were measured from a smooth NACA 0012 airfoil having a chord length of 0.533 m. Flight data were taken for the smooth airfoil at Reynolds numbers based on chord in the range 1.24 to 2.50 million and at various angles of attack up to 4 deg. During these flight tests, the freestream velocity turbulence intensity was found to be very low. Wind tunnel data were acquired in the Reynolds number range 1.20 to 4.52 million and at angles of attack from -4 to +8 deg. The turbulence intensity in the IRT was 0.5-0.7 percent with the cloud-generating sprays off. A direct comparison between the results obtained in flight and in the IRT showed that the higher level of turbulence intensity in the IRT had little effect on the heat transfer for the lower Reynolds numbers but caused a moderate increase in heat transfer at the higher Reynolds numbers. Turning on the cloud-generating spray nozzle atomizing air in the IRT did not alter the heat transfer. The present data were compared with leading-edge cylinder and flat plate heat transfer correlations that are often used to estimate airfoil heat transfer in computer codes.

Poinsatte, Philip E.↗

The Starshine Hitchhiker Mission on STS-96

A mirrored, spherical "Starshine" satellite was ejected by NASA into a circular low Earth orbit from a Hitchhiker canister in the cargo bay of Space Shuttle OV-103 Discovery at 07:21 Universal Time on June 5, 1999, near the end of Discovery's STS-96 mission to the International Space Station. Starshine's initial orbital altitude was 218 Nautical Miles (387 km), and its orbital inclination was 51.6 deg. The satellite is expected to orbit Earth until sometime in January 2000, when it will reenter the atmosphere and vaporize. Some 25,030 students in 700 schools around the world participated in the construction of this satellite by polishing 878 small, front-surface aluminum mirrors that stud its outer surface. A small fraction of those students is presently tracking the satellite and measuring its angular position at specific times. The Naval Research Laboratory is combining the students' measurements with Naval Space Command radar tracking data to compute the satellite's orbit on a daily basis. From the rate of decay of the orbit, the students are able to calculate the density of the atmosphere at the satellite's present altitude. The students are also accessing the project's web site to observe ground-based and space-based images of the sun and other indices of solar activity. They are then using these data to make correlations between the intensity of solar storms and fluctuations in the density of the earth's upper atmosphere. The number of students participating in the tracking phase of the project is expected to increase dramatically at the start of the fall school term in the northern hemisphere. At the conclusion of the Starshine mission, the student team will attempt to predict when and where the satellite will re-enter the atmosphere, so they can compete for a cash prize for the best photograph of the satellite's fiery demise.

Moore, Gil↗

Plasticity and Kinky Chemistry of Carbon Nanotubes

Since their discovery in 1991, carbon nanotubes have been the subject of intense research interest based on early predictions of their unique mechanical, electronic, and chemical properties. Materials with the predicted unique properties of carbon nanotubes are of great interest for use in future generations of aerospace vehicles. For their structural properties, carbon nanotubes could be used as reinforcing fibers in ultralight multifunctional composites. For their electronic properties, carbon nanotubes offer the potential of very high-speed, low-power computing elements, high-density data storage, and unique sensors. In a continuing effort to model and predict the properties of carbon nanotubes, Ames accomplished three significant results during FY99. First, accurate values of the nanomechanics and plasticity of carbon nanotubes based on quantum molecular dynamics simulations were computed. Second, the concept of mechanical deformation catalyzed-kinky-chemistry as a means to control local chemistry of nanotubes was discovered. Third, the ease of nano-indentation of silicon surfaces with carbon nanotubes was established. The elastic response and plastic failure mechanisms of single-wall nanotubes were investigated by means of quantum molecular dynamics simulations.

Srivastava, Deepak↗

U.S. Department of Energy Best Practices Workshop onFile Systems & Archives San Francisco, CA September 26-27, 2011 Position Paper

This position paper discusses issues of usability of the large parallel file systems in the Livermore Computing Center. The primary uses of these file systems are for storage and access of data that is created during the course of a simulation running on an LC system. The Livermore Computing Center has multiple, globally mounted parallel file systems in each of its computing environments. The single biggest issue of file system usability that we have encountered through the years is to maintain continuous file system responsiveness. Given the back end storage hardware that our file systems are provisioned with, it is easily possible for a particularly I/O intensive application or one with particularly inefficiently coded I/O operations to bring the file system to an apparent halt. The practice that we will be addressing is one of having an ability to indentify, diagnose, analyze and optimize the I/O quickly and effectively.

97 MATHEMATICS AND COMPUTING↗

JSPEC – An Open Source Program for IBS and Electron Cooling Simulation

The intrabeam scattering can affect the accumulation, the lifetime, and the property of a high-intensity beam. Electron cooling is a method to mitigate the intrabeam scattering effect. JSPEC (JLab Simulation Package on Electron Cooling) is an open-source program developed at Jefferson Lab, which includes various numerical models and friction force formulas for intrabeam scattering and electron cooling simulations. JSPEC has been benchmarked with BETACOOL and experimental data. In this report, we will introduce what features JSPEC provides to the users and how it carries out the computations. Numerical examples are presented to demonstrate the performance and the validity of JSPEC.

Zhang, He↗