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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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At least 883 records · Page 49

Inferring safety critical events from vehicle kinematics in naturalistic driving environment: Application of deep learning Algorithms

Advances in sensing technology has enabled the collection of countless terabytes of second-by-second kinematics data. Such data provides opportunities for real-time monitoring of driving behavior and identification of safety critical events (SCEs) including crashes and near crashes. The concept of volatility is relevant in this context, which identifies instability and erratic variations in driving behavior prior to involvement in SCEs. This study utilized vehicle kinematics from a large-scale naturalistic driving data to develop a deep learning approach based on 1D convolutional neural networks (CNN) for inferring SCEs. The data are unique in the sense that such accurate pre-crash data at high fidelity are not available in traditional crash repositories. This study contributes to the literature by providing a first attempt at predicting responses to SCEs by developing deep learning-based CNN architectures using novel driving volatility based kinematic thresholds for a sample of 9553 events. The key contribution lies in developing a volatility-based CNN input layout that is acceptable to CNN schemes and represents the motion kinematics such as speed, acceleration and volatility measures. Several 1D-CNN architectures were developed using layers, numbers of convolutions, layer patterns, and kernels. Shallow and deep architectures were tested, revealing higher accuracy of shallow architectures in detecting SCEs. The optimal number of epochs were identified using an early stopping method while the CNN performance was improved by increasing the number of epochs. The ensemble CNN had the highest predictive accuracy of 95.6% for detection of crashes and near crashes, which was 2.5% higher than the optimal CNN using 20% hold out test data. The ensemble CNN also outperformed classical machine learning models and model performance reported in past studies on detection of SCEs. Finally, these results have implications for identification of safety hotspots and providing real-time alerts and warnings in connected and highly automated vehicle environment including society of automotive engineers levels 3–5.

42 ENGINEERING↗

Parallel DTFE Surface Density Field Reconstruction

We improve the interpolation accuracy and efficiency of the Delaunay tessellation field estimator (DTFE) for surface density field reconstruction by proposing an algorithm that takes advantage of the adaptive triangular mesh for line-of-sight integration. The costly computation of an intermediate 3D grid is completely avoided by our method and only optimally chosen interpolation points are computed, thus, the overall computational cost is significantly reduced. The algorithm is implemented as a parallel shared-memory kernel for large-scale grid rendered field reconstructions in our distributed-memory framework designed for N-body gravitational lensing simulations in large volumes. We also introduce a load balancing scheme to optimize the efficiency of processing a large number of field reconstructions. Our results show our kernel outperforms existing software packages for volume weighted density field reconstruction, achieving ~ 10x speedup, and our load balancing algorithm gains an additional ~ 3.6x speedup at scales with ~ 16k processes.

97 MATHEMATICS AND COMPUTING↗

TH-A-9A-06: Inverse Planning of Gamma Knife Radiosurgery Using Natural Physical Models

Purpose: Treatment-planning systems rely on computer intensive optimization algorithms in order to provide radiation dose localization. We are investigating a new optimization paradigm based on natural physical modeling and simulations, which tend to evolve in time and find the minimum energy state. In our research, we aim to match physical models with radiation therapy inverse planning problems, where the minimum energy state coincides with the optimal solution. As a prototype study, we have modeled the inverse planning of Gamma Knife radiosurgery using the dynamic interactions between charged particles and demonstrate the potential of the paradigm. Methods: For inverse planning of Gamma Knife radiosurgery: (1) positive charges are uniformly placed on the surface of tumors and critical structures. (2) The Gamma Knife dose kernels of 4mm, 8mm and 16mm radii are modeled as geometric objects with variable charges. (3) The number of shots per each kernel radii is obtained by solving a constrained integer-linear problem. (4) The shots are placed into the tumor volume and move under electrostatic forces. The simulation is performed until internal forces are zero or maximum iterations are reached. (5) Finally, non-negative least squares (NNLS) is used to calculate the beam-on times for each shot. Results: A 3D C-shaped tumor surrounding a spherical critical structure was used for testing the new optimization paradigm. These tests showed that charges spread out evenly covering the tumor while keeping distance from the critical structure, resulting in a high quality plan. Conclusion: We have developed a new paradigm for dose optimization based on the simulation of physical models. As prototype studies, we applied electrostatic models to Gamma Knife radiosurgery and demonstrated the potential of the new paradigm. Further research and fine-tuning of the model are underway. NSF CBET-0853157.

60 APPLIED LIFE SCIENCES↗

Radiation Effects on Network on Chips (NoC) Laboratory Directed Research and Development (LDRD) project

This project was motivated by State-of-the-Art (SOTA) technology that incorporates Network on Chips (NOC) for efficient data communication across the various computer kernels. For example, on the AMD Versal Field Programmable Gate Arrays (FPGA), an NoC has been incorporated for fast data communication from the programmable logic and other computer kernels (processing system, adaptable intelligence engines, etc.). The radiation effects on the legacy technology of this FPGA, such as the programmable logic, are well understood, and established methods exist to measure cross-sections when new families/generations are released; however, newly incorporated technologies, such as the NoC, are not fully understood and could introduce new failure points into the mission space.

36 MATERIALS SCIENCE↗

The Transition Density Formalism in the First Compton Computation on $^4$He

The method and results of the first theory description of 4He Compton scattering at nuclear energies is presented, with a focus on figures. It uses the same Compton kernels familiar from proton, deuteron and 3He Compton scattering in Chiral Effective Field Theory with explicit Delta degrees of freedom, applicable between about 50 and 130MeV. The result compares well to data from HIγS, MAXlab and Illinois. The sensitivity of the cross section on the (static) scalar-isoscalar polarisabilities of the nucleon is explored. The project is part of the synergetic international effort of experimentalists and theorists in Compton scattering on one- and few-nucleon systems.

Griesshammer, Harald [The George Washington Univer↗

Use of speckle for determining the response characteristics of Doppler imaging radars

An optical model is developed for imaging optical radars such as the SAR on Seasat and the Shuttle Imaging Radar (SIR-B) by analyzing the Doppler shift of individual speckles in the image. The signal received at the spacecraft is treated in terms of a Fresnel-Kirchhoff integration over all backscattered radiation within a Huygen aperture at the earth. Account is taken of the movement of the spacecraft along the orbital path between emission and reception. The individual points are described by integration of the point source amplitude with a Green's function scattering kernel. Doppler data at each point furnishes the coordinates for visual representations. A Rayleigh-Poisson model of the surface scattering characteristics is used with Monte Carlo methods to generate simulations of Doppler radar speckle that compare well with Seasat SAR data SIR-B data.

Tilley, D. G.↗

The probabilistic neural network architecture for high speed classification of remotely sensed imagery

In this paper we discuss a neural network architecture (the Probabilistic Neural Net or the PNN) that, to the best of our knowledge, has not previously been applied to remotely sensed data. The PNN is a supervised non-parametric classification algorithm as opposed to the Gaussian maximum likelihood classifier (GMLC). The PNN works by fitting a Gaussian kernel to each training point. The width of the Gaussian is controlled by a tuning parameter called the window width. If very small widths are used, the method is equivalent to the nearest neighbor method. For large windows, the PNN behaves like the GMLC. The basic implementation of the PNN requires no training time at all. In this respect it is far better than the commonly used backpropagation neural network which can be shown to take O(N6) time for training where N is the dimensionality of the input vector. In addition the PNN can be implemented in a feed forward mode in hardware. The disadvantage of the PNN is that it requires all the training data to be stored. Some solutions to this problem are discussed in the paper. Finally, we discuss the accuracy of the PNN with respect to the GMLC and the backpropagation neural network (BPNN). The PNN is shown to be better than GMLC and not as good as the BPNN with regards to classification accuracy.

Chettri, Samir R.↗

Predicting Cycle-to-cycle Variations in a Spark-ignition Engine using Multi-cycle Large Eddy Simulation

Multi-cycle large eddy simulation (LES) of a spark-ignition engine has been performed to predict cycle-to-cycle variations (CCV). To describe spark-ignited premixed flame propagation, the front propagation formulation (FPF) method is combined with a laminar-to-turbulent flame transition model that describes the non-equilibrium flame development processes during the initial stage of the kernel growth. In the laminar-to-turbulent flame transition model, the effects of turbulence on the variations in the laminar-to-turbulent flame transition time are modeled based on the Kolmogorov energy cascade. 15 consecutive cycle LES of in-cylinder processes in a spark-ignition four-valve single cylinder engine is conducted. The predicted in-cylinder pressure is compared with the experimental measurements. The range of CCV observed in the experiment is reproduced to an acceptable degree. The predicted CCV is found to be closely related to the difference in the turbu- lence field near the spark plug around the time of spark discharging, which is consistent with the previous LES studies. The current results also suggest the importance of capturing the variations of the laminar-to-turbulent flame transition in predicting CCV.

Su, Yunde↗

Predicting Cycle-to-cycle Variations in a Spark-ignition Engine using Multi-cycle Large Eddy Simulation

Multi-cycle large eddy simulation (LES) of a spark-ignition engine has been performed to predict cycle-to-cycle variations (CCV). To describe spark-ignited premixed flame propagation, the front propagation formulation (FPF) method is combined with a laminar-to-turbulent flame transition model that describes the non-equilibrium flame development processes during the initial stage of the kernel growth. In the laminar-to-turbulent flame transition model, the effects of turbulence on the variations in the laminar-to-turbulent flame transition time are modeled based on the Kolmogorov energy cascade. 15 consecutive cycle LES of in-cylinder processes in a spark-ignition four-valve single cylinder engine is conducted. The predicted in-cylinder pressure is compared with the experimental measurements. The range of CCV observed in the experiment is reproduced to an acceptable degree. The predicted CCV is found to be closely related to the difference in the turbulence field near the spark plug around the time of spark discharging, which is consistent with the previous LES studies. The current results also suggest the importance of capturing the variations of the laminar-to-turbulent flame transition in predicting CCV.

Yu, Yunde↗

Evaluating Operating System Vulnerability to Memory Errors

Reliability is of great concern to the scalability of extreme-scale systems. Of particular concern are soft errors in main memory, which are a leading cause of failures on current systems and are predicted to be the leading cause on future systems. While great effort has gone into designing algorithms and applications that can continue to make progress in the presence of these errors without restarting, the most critical software running on a node, the operating system (OS), is currently left relatively unprotected. OS resiliency is of particular importance because, though this software typically represents a small footprint of a compute node's physical memory, recent studies show more memory errors in this region of memory than the remainder of the system. In this paper, we investigate the soft error vulnerability of two operating systems used in current and future high-performance computing systems: Kitten, the lightweight kernel developed at Sandia National Laboratories, and CLE, a high-performance Linux-based operating system developed by Cray. For each of these platforms, we outline major structures and subsystems that are vulnerable to soft errors and describe methods that could be used to reconstruct damaged state. Our results show the Kitten lightweight operating system may be an easier target to harden against memory errors due to its smaller memory footprint, largely deterministic state, and simpler system structure.

99 GENERAL AND MISCELLANEOUS↗

Alpha image reconstruction (AIR): A new iterative CT image reconstruction approach using voxel-wise alpha blending

Purpose: Iterative image reconstruction gains more and more interest in clinical routine, as it promises to reduce image noise (and thereby patient dose), to reduce artifacts, or to improve spatial resolution. Among vendors and researchers, however, there is no consensus of how to best achieve these aims. The general approach is to incorporatea priori knowledge into iterative image reconstruction, for example, by adding additional constraints to the cost function, which penalize variations between neighboring voxels. However, this approach to regularization in general poses a resolution noise trade-off because the stronger the regularization, and thus the noise reduction, the stronger the loss of spatial resolution and thus loss of anatomical detail. The authors propose a method which tries to improve this trade-off. The proposed reconstruction algorithm is called alpha image reconstruction (AIR). One starts with generating basis images, which emphasize certain desired image properties, like high resolution or low noise. The AIR algorithm reconstructs voxel-specific weighting coefficients that are applied to combine the basis images. By combining the desired properties of each basis image, one can generate an image with lower noise and maintained high contrast resolution thus improving the resolution noise trade-off. Methods: All simulations and reconstructions are performed in native fan-beam geometry. A water phantom with resolution bar patterns and low contrast disks is simulated. A filtered backprojection (FBP) reconstruction with a Ram-Lak kernel is used as a reference reconstruction. The results of AIR are compared against the FBP results and against a penalized weighted least squares reconstruction which uses total variation as regularization. The simulations are based on the geometry of the Siemens Somatom Definition Flash scanner. To quantitatively assess image quality, the authors analyze line profiles through resolution patterns to define a contrast factor for contrast-resolution plots. Furthermore, the authors calculate the contrast-to-noise ratio with the low contrast disks and the authors compare the agreement of the reconstructions with the ground truth by calculating the normalized cross-correlation and the root-mean-square deviation. To evaluate the clinical performance of the proposed method, the authors reconstruct patient data acquired with a Somatom Definition Flash dual source CT scanner (Siemens Healthcare, Forchheim, Germany). Results: The results of the simulation study show that among the compared algorithms AIR achieves the highest resolution and the highest agreement with the ground truth. Compared to the reference FBP reconstruction AIR is able to reduce the relative pixel noise by up to 50% and at the same time achieve a higher resolution by maintaining the edge information from the basis images. These results can be confirmed with the patient data. Conclusions: To evaluate the AIR algorithm simulated and measured patient data of a state-of-the-art clinical CT system were processed. It is shown, that generating CT images through the reconstruction of weighting coefficients has the potential to improve the resolution noise trade-off and thus to improve the dose usage in clinical CT.

60 APPLIED LIFE SCIENCES↗

Prediction of bacterial E3 ubiquitin ligase effectors using reduced amino acid peptide fingerprinting

Background Although pathogenic Gram-negative bacteria lack their own ubiquitination machinery, they have evolved or acquired virulence effectors that can manipulate the host ubiquitination process through structural and/or functional mimicry of host machinery. Many such effectors have been identified in a wide variety of bacterial pathogens that share little sequence similarity amongst themselves or with eukaryotic ubiquitin E3 ligases. Methods To allow identification of novel bacterial E3 ubiquitin ligase effectors from protein sequences we have developed a machine learning approach, the SVM-based Identification and Evaluation of Virulence Effector Ubiquitin ligases (SIEVE-Ub). We extend the string kernel approach used previously to sequence classification by introducing reduced amino acid (RED) alphabet encoding for protein sequences. Results We found that 14mer peptides with amino acids represented as simply either hydrophobic or hydrophilic provided the best models for discrimination of E3 ligases from other effector proteins with a receiver-operator characteristic area under the curve (AUC) of 0.90. When considering a subset of E3 ubiquitin ligase effectors that do not fall into known sequence based families we found that the AUC was 0.82, demonstrating the effectiveness of our method at identifying novel functional family members. Feature selection was used to identify a parsimonious set of 10 RED peptides that provided good discrimination, and these peptides were found to be located in functionally important regions of the proteins involved in E2 and host target protein binding. Our general approach enables construction of models based on other effector functions. We used SIEVE-Ub to predict nine potential novel E3 ligases from a large set of bacterial genomes. SIEVE-Ub is available for download at https://doi.org/10.6084/m9.figshare.7766984.v1 or https://github.com/biodataganache/SIEVE-Ub for the most current version.

59 BASIC BIOLOGICAL SCIENCES↗

TU-CD-BRA-12: Coupling PET Image Restoration and Segmentation Using Variational Method with Multiple Regularizations

Purpose: To propose a new variational method which couples image restoration with tumor segmentation for PET images using multiple regularizations. Methods: Partial volume effect (PVE) is a major degrading factor impacting tumor segmentation accuracy in PET imaging. The existing segmentation methods usually need to take prior calibrations to compensate PVE and they are highly system-dependent. Taking into account that image restoration and segmentation can promote each other and they are tightly coupled, we proposed a variational method to solve the two problems together. Our method integrated total variation (TV) semi-blind deconvolution and Mumford-Shah (MS) segmentation. The TV norm was used on edges to protect the edge information, and the L{sub 2} norm was used to avoid staircase effect in the no-edge area. The blur kernel was constrained to the Gaussian model parameterized by its variance and we assumed that the variances in the X-Y and Z directions are different. The energy functional was iteratively optimized by an alternate minimization algorithm. Segmentation performance was tested on eleven patients with non-Hodgkin’s lymphoma, and evaluated by Dice similarity index (DSI) and classification error (CE). For comparison, seven other widely used methods were also tested and evaluated. Results: The combination of TV and L{sub 2} regularizations effectively improved the segmentation accuracy. The average DSI increased by around 0.1 than using either the TV or the L{sub 2} norm. The proposed method was obviously superior to other tested methods. It has an average DSI and CE of 0.80 and 0.41, while the FCM method — the second best one — has only an average DSI and CE of 0.66 and 0.64. Conclusion: Coupling image restoration and segmentation can handle PVE and thus improves tumor segmentation accuracy in PET. Alternate use of TV and L2 regularizations can further improve the performance of the algorithm. This work was supported in part by National Natural Science Foundation of China (NNSFC), under Grant No.61375018, and Fundamental Research Funds for the Central Universities, under Grant No. 2012QN086. Wei Lu was supported in part by the National Institutes of Health (NIH) Grant No. R01 CA172638.

60 APPLIED LIFE SCIENCES↗

Manifestation of exchange effects in heavy-ion interactions

Three different approaches to taking into account exchange effects in heavy-ion collisions are studied. Within the first of them, the lowest eigenstates of the Hamiltonian are treated as forbidden states. In the second approach, the eigenstates of the normalization kernel of the resonating-group model that correspond to zero eigenvalues are treated as forbidden states. The third approach takes additionally into account semiforbidden states. The {sup 16}O + {sup 16}O system is considered. A hybrid approach that combines the methods of discrete and continuous mathematics is developed for calculating the widths of narrow resonance states. The resonance width calculated within the approach that takes into account semiforbidden states proves to be sharply different from the widths obtained within traditional approaches.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Modeling Deep Burn TRISO Particle Nuclear Fuel

Under the DOE Deep Burn program TRISO fuel is being investigated as a fuel form for consuming plutonium and minor actinides, and for greater efficiency in uranium utilization. The result will thus be to drive TRISO particulate fuel to very high burn-ups. In the current effort the various phenomena in the TRISO particle are being modeled using a variety of techniques. The chemical behavior is being treated utilizing thermochemical analysis to identify phase formation/transformation and chemical activities in the particle, including kernel migration. First principles calculations are being used to investigate the critical issue of fission product palladium attack on the SiC coating layer. Density functional theory is being used to understand fission product diffusion within the plutonia oxide kernel. Kinetic Monte Carlo techniques are shedding light on transport of fission products, most notably silver, through the carbon and SiC coating layers. The diffusion of fission products through an alternative coating layer, ZrC, is being assessed via DFT methods. Finally, a multiscale approach is being used to understand thermal transport, including the effect of radiation damage induced defects, in a model SiC material.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Implementing Molecular Dynamics on Hybrid High Performance Computers - Particle-Particle Particle-Mesh

The use of accelerators such as graphics processing units (GPUs) has become popular in scientific computing applications due to their low cost, impressive floating-point capabilities, high memory bandwidth, and low electrical power requirements. Hybrid high-performance computers, machines with nodes containing more than one type of floating-point processor (e.g. CPU and GPU), are now becoming more prevalent due to these advantages. In this paper, we present a continuation of previous work implementing algorithms for using accelerators into the LAMMPS molecular dynamics software for distributed memory parallel hybrid machines. In our previous work, we focused on acceleration for short-range models with an approach intended to harness the processing power of both the accelerator and (multi-core) CPUs. To augment the existing implementations, we present an efficient implementation of long-range electrostatic force calculation for molecular dynamics. Specifically, we present an implementation of the particle-particle particle-mesh method based on the work by Harvey and De Fabritiis. We present benchmark results on the Keeneland InfiniBand GPU cluster. We provide a performance comparison of the same kernels compiled with both CUDA and OpenCL. We discuss limitations to parallel efficiency and future directions for improving performance on hybrid or heterogeneous computers.

97 MATHEMATICS AND COMPUTING↗

Accelerating Asymptotically Exact MCMC for Computationally Intensive Models via Local Approximations

We construct a new framework for accelerating Markov chain Monte Carlo in posterior sampling problems where standard methods are limited by the computational cost of the likelihood, or of numerical models embedded therein. Our approach introduces local approximations of these models into the Metropolis–Hastings kernel, borrowing ideas from deterministic approximation theory, optimization, and experimental design. Previous efforts at integrating approximate models into inference typically sacrifice either the sampler’s exactness or efficiency; our work seeks to address these limitations by exploiting useful convergence characteristics of local approximations. We prove the ergodicity of our approximate Markov chain, showing that it samples asymptotically from the exact posterior distribution of interest. We describe variations of the algorithm that employ either local polynomial approximations or local Gaussian process regressors. Our theoretical results reinforce the key observation underlying this article: when the likelihood has some local regularity, the number of model evaluations per Markov chain Monte Carlo (MCMC) step can be greatly reduced without biasing the Monte Carlo average. Numerical experiments demonstrate multiple order-of-magnitude reductions in the number of forward model evaluations used in representative ordinary differential equation (ODE) and partial differential equation (PDE) inference problems, with both synthetic and real data. Supplementary materials for this article are available online.

97 MATHEMATICS AND COMPUTING↗

Systematics in asteroseismic modelling: application of a correlated noise model for oscillation frequencies

ABSTRACT The detailed modelling of stellar oscillations is a powerful approach to characterizing stars. However, poor treatment of systematics in theoretical models leads to misinterpretations of stars. Here, we propose a more principled statistical treatment for the systematics to be applied to fitting individual mode frequencies with a typical stellar model grid. We introduce a correlated noise model based on a Gaussian process (GP) kernel to describe the systematics given that mode frequency systematics are expected to be highly correlated. We show that tuning the GP kernel can reproduce general features of frequency variations for changing model input physics and fundamental parameters. Fits with the correlated noise model better recover stellar parameters than traditional methods that either ignore the systematics or treat them as uncorrelated noise.

Li, Tanda (ORCID:0000000163962563)↗