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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 1,225 records · Page 68

Computer-aided detection using non-convolutional neural network Gaussian processes

Deep convolutional neural networks (CNNs) have in recent years achieved record-breaking performance on many image classification tasks and are therefore well-suited for computer aided detection (CAD). The need for uncertainty quantification for CAD motivates the need for a probabilistic framework for deep learning. The most well-known probabilistic neural network model is the Bayesian neural network (BNN), but BNNs are notoriously difficult to sample for large complex network architectures, and as such their use is restricted to small problems. It is known that the limit of BNNs as their widths increase toward infinity is a Gaussian process (GP), and there has been considerable research interest in these infinitely wide BNNs. Recently, this classic result has been extended to deep architectures in what is termed the neural network Gaussian process (NNGP) model. In this work, we implement an NNGP model and apply it to the ChestXRay14 dataset at the full resolution of 1024x1024 pixels. Even without any convolutional aspects to the network architecture and without any data augmentation, our five layer deep NNGP model outperforms other non-convolutional models and therefore helps to narrow the performance gap between non-convolutional and convolutional models. Our NNGP model is fully Bayesian and therefore offers uncertainty information through its predictive variance that can be used to formulate a predictive confidence measure. We show that the performance of the NNGP model is significantly boosted after low-confidence predictions are rejected, suggesting that convolution is most beneficial only for these low-confidence examples. Finally, our results indicate that an extremely large fully-connected neural network with appropriate regularization could perform as well as the NNGP if not for the computational bottleneck resulting from the large number of model parameters.

Agrawal, Devanshu↗

Switching Device-Cognizant Sequential Distribution System Restoration

This paper presents an optimization framework for sequential reconfiguration using an assortment of switching devices and repair process in distribution system restoration. Compared to existing studies, this paper considers types, capabilities and operational limits of different switching devices, making it applicable in practice. We develop a novel multi-phase method to find the optimal sequential operation of various switching devices and repair faulted areas. We consider circuit breakers, reclosers, sectionalizers, load breaker switches, and fuses. The switching operation problem is decomposed into two mixed-integer linear programming (MILP) subproblems. The first subproblem determines the optimal network topology and estimates the number of steps to reach that topology, while the second subproblem generates a sequence of switching operations to coordinate the switches. For repairing the faults, we design an MILP model that dispatches repair crews to clear faults and replace melted fuses. After clearing a fault, we update the topology of the network by generating a new sequence of switching operations, and the process continues until all faults are cleared. To improve the computational efficiency, a network reduction algorithm is developed to group line sections, such that only switchable sections are present in the reduced network. The proposed method is validated on the IEEE 123-bus and 8500-bus systems.

distribution system↗

Neural-Network Object-Recognition Program

HONTIOR computer program implements third-order neural network exhibiting invariance under translation, change of scale, and in-plane rotation. Invariance incorporated directly into architecture of network. Only one view of each object needed to train network for two-dimensional-translation-invariant recognition of object. Also used for three-dimensional-transformation-invariant recognition by training network on only set of out-of-plane rotated views. Written in C language.

Spirkovska, L.↗

PCAfold 2.0—Novel tools and algorithms for low-dimensional manifold assessment and optimization

We describe an update to our open-source Python package, PCAfold, designed to help researchers generate, analyze and improve low-dimensional data manifolds. In the current version, PCAfold 2.0, we introduce novel tools and algorithms for assessing and optimizing low-dimensional manifolds. This includes a method that generates a “map” of local feature sizes that can help pinpoint researchers to problematic regions on a manifold. We introduce a novel cost function that characterizes the quality of a manifold topology with a single number. We develop two algorithms for feature selection based on principal component analysis (PCA) that use the cost function as an objective function to minimize. We introduce a quantity of interest (QoI)-aware dimensionality reduction strategy where data projections are computed using an artificial neural network and are directly optimized towards representing various projection-independent and projection-dependent QoIs. We also introduce an implementation of partition of unity networks (POUnets) for efficient reconstruction of QoIs from low-dimensional manifolds based on combining neural network classification with localized polynomial regression. Our software can be broadly applicable in all domains of science and engineering that aim to reduce data dimensionality, as well as in the fundamental research on representation learning.

97 MATHEMATICS AND COMPUTING↗

Collaborative Computing Support for Analysis Facilities Exploiting Software as Infrastructure Techniques

Prior to the public release of Kubernetes it was difficult to conduct joint development of elaborate analysis facilities due to the highly non-homogeneous nature of hardware and network topology across compute facilities. However, since the advent of systems like Kubernetes and OpenShift, which provide declarative interfaces for building fault-tolerant and self-healing deployments of networked software, it is possible for multiple institutes to collaborate more effectively since resource details are abstracted away through various forms of hardware and software virtualization. In this whitepaper we will outline the development of two analysis facilities: "Coffea-casa" at University of Nebraska Lincoln and the "Elastic Analysis Facility" at Fermilab, and how utilizing platform abstraction has improved the development of common software for each of these facilities, and future development plans made possible by this methodology.

97 MATHEMATICS AND COMPUTING↗

Ion trap with in-vacuum high numerical aperture imaging for a dual-species modular quantum computer

Photonic interconnects between quantum systems will play a central role in both scalable quantum computing and quantum networking. Entanglement of remote qubits via photons has been demonstrated in many platforms; however, improving the rate of entanglement generation will be instrumental for integrating photonic links into modular quantum computers. We present an ion trap system that has the highest reported free-space photon collection efficiency for quantum networking. We use a pair of in-vacuum aspheric lenses, each with a numerical aperture of 0.8, to couple 10(1)% of the 493 nm photons emitted from a 138Ba+ ion into single-mode fibers. We also demonstrate that proximal effects of the lenses on the ion position and motion can be mitigated.

Instruments & Instrumentation↗

A Parallel Trade Study Architecture for Design Optimization of Complex Systems

Design of a successful product requires evaluating many design alternatives in a limited design cycle time. This can be achieved through leveraging design space exploration tools and available computing resources on the network. This paper presents a parallel trade study architecture to integrate trade study clients and computing resources on a network using Web services. The parallel trade study solution is demonstrated to accelerate design of experiments, genetic algorithm optimization, and a cost as an independent variable (CAIV) study for a space system application.

Kim, Hongman↗

SNS programming environment user's guide

This document briefly describes the computing environment for the Supercomputing Network Subsystem (SNS) of the Central Scientific Computing Complex of the Langley Research Center. The major SNS computers are a CRAY-2, a CRAY Y-MP, a CONVEX C-210, and a CONVEX C-220. It describes the software that is common to all of these computers, including; the UNIX operating system, graphics, networking utilities, mass storage, and mathematical libraries. It also describes file management, validation, SNS configuration, documentation and customer services. The document is intended for all SNS users as a ready reference to frequently asked questions and to more detailed information contained within the vendor manuals. It is appropriate for both the novice and the experienced user.

Supercomputing↗

Low Loss Graded Index Polymer Optical Fiber for Local Networking

Here, the objective of this Department of Energy SBIR program has been to develop technology for the advancement of advanced computing systems. NanoSonic worked with two subcontractors, the Polymicro Division of Molex, a U.S.-based manufacturer of specialized optical fiber and fiber components, and Virginia Tech, a research university involved through the Global Environment for Network Innovations (GENI) program in high-speed computer networking research. NanoSonic developed a patented molecular-level self-assembly process to manufacture polymer-based optical fibers in a way similar to the modified chemical vapor deposition (MCVD) approach typically used to make glass optical fibers. Although polymer fiber has a higher attenuation per unit length than glass fiber, short connectorized polymer fiber jumpers offer significant cost savings over their glass counterparts, particularly due to the potential use of low-cost plastic fiber connectors. As part of the SBIR commercialization process, NanoSonic exclusively licensed this technology to a large ($100B+ market cap) U.S.-based manufacturing conglomerate near the end of the first year of the Phase II program. With this base technology developed and licensed, NanoSonic then worked with Polymicro to address secondary program goals of using related but not conflicting production methods to enhance the performance of other specialty optical fiber products and components, and Virginia Tech continued its evaluation of developed polymer fibers in its network infrastructure system on the university campus. We also report our current understanding of the observation during the Phase I program of quantum conductance and partial quantum conductance in metal-insulator-metal (MIM) devices. Such conductance behavior may be modeled as singlemode behavior in one-dimensional electrically conducting waveguides, similar in principle to singlemode optical propagation in dielectric fiber waveguides. Although NanoSonic has not licensed any of the additional technology developed during the second year of the program, several proprietary discussions with major materials companies are underway as of the conclusion of Phase II.

36 MATERIALS SCIENCE↗

Prevalence and scalable control of localized networks

The ability to control network dynamics is essential for ensuring desirable functionality of many technological, biological, and social systems. Such systems often consist of a large number of network elements, and controlling large-scale networks remains challenging because the computation and communication requirements increase prohibitively fast with network size. Here, we introduce a notion of network locality that can be exploited to make the control of networks scalable, even when the dynamics are nonlinear. We show that network locality is captured by an information metric and is almost universally observed across real and model networks. In localized networks, the optimal control actions and system responses are both shown to be necessarily concentrated in small neighborhoods induced by the information metric. This allows us to develop localized algorithms for determining network controllability and optimizing the placement of driver nodes. This also allows us to develop a localized algorithm for designing local feedback controllers that approach the performance of the corresponding best global controllers, while incurring a computational cost orders-of-magnitude lower. Here, we validate the locality, performance, and efficiency of the algorithms in Kuramoto oscillator networks, as well as three large empirical networks: synchronization dynamics in the Eastern US power grid, epidemic spreading mediated by the global air-transportation network, and Alzheimer’s disease dynamics in a human brain network. Taken together, our results establish that large networks can be controlled with computation and communication costs comparable to those for small networks.

42 ENGINEERING↗

Unifying Combinatorial and Graphical Methods in Artificial Intelligence

Recently, a new graph Laplacian, called the inner product Laplacian, was introduced which generalizes many existing Laplacians, including the normalized and combinatorial Laplacian and their weighted variants. The key observation behind the inner product Laplacian is that by defining appropriate inner product spaces on the vertices and edges, the standard Laplacians can be recovered as Hodge Laplacians over the simplicial complex formed by the edges and vertices. These inner product spaces form a natural way to incorporate non-combinatorial information into the definition of a domain-specific Laplacian. In particular, in contrast to current domain-specific weighting schemes which rely solely on edge weights, information regarding the similarity of non-adjacent vertices and arbitrary pairs of edges can be effectively incorporated into the Laplacian. In order to illustrate this approach we consider the problem of calculating the potential energy of an atomistic configuration using Graph Neural Networks. In comparison with start-of-the-art approaches, such as SchNet, our approach replaces a learned (via auto-encoder) representation of the atom types with an inner product space on atoms based on scientific knowledge (e.g., electronegativity). We will illustrate how this approach captures key chemical properties of the molecules and compare the energy calculations with state-of-the-art neural network approaches. However, to compute the resulting Laplacian involves a mixture of sparse and dense matrix computation and yields a dense matrix as the basis for the graph convolution. This dense convolutional kernel necessitates moving away from the standard message passing framework for graph neural networks and increases the computational cost of applying the kernel. In order to mitigate these costs we investigate means of leveraging the mixed sparse and dense computations to reduce the overall computational cost and how these approaches can be automatically transferred to energy efficient hardware (e.g., field programmable gate arrays (FPGAs)).

97 MATHEMATICS AND COMPUTING↗

Method and apparatus for determining and utilizing a time-expanded decision network

A method, apparatus and computer program for determining and utilizing a time-expanded decision network is presented. A set of potential system configurations is defined. Next, switching costs are quantified to create a "static network" that captures the difficulty of switching among these configurations. A time-expanded decision network is provided by expanding the static network in time, including chance and decision nodes. Minimum cost paths through the network are evaluated under plausible operating scenarios. The set of initial design configurations are iteratively modified to exploit high-leverage switches and the process is repeated to convergence. Time-expanded decision networks are applicable, but not limited to, the design of systems, products, services and contracts.

Silver, Matthew↗

Geometric adjustment of the South American satellite densification (PC-1000) network

Reduced normal equations were computed from observation data and combined with reduced normal equations of other satellite networks to provide station coordinates from a single least square adjustment. Terrestrial data, which include base-lines, heights, and survey coordinates, provide the necessary relative position constraints between collocated stations of two satellite networks. Survey information regarding the observation stations is summarized, and constraints used in the solution are given. Geoidal undulations are computed by using the formula and constants shown.

Mueller, I. I.↗

Quantum circuit fidelity estimation using machine learning

The computational power of real-world quantum computers is limited by errors. When using quantum computers to perform algorithms which cannot be efficiently simulated classically, it is important to quantify the accuracy with which the computation has been performed. In this work, we introduce a machine learning-based technique to estimate the fidelity between the state produced by a noisy quantum circuit and the target state corresponding to ideal noise-free computation. Our machine learning model is trained in a supervised manner, using smaller or simpler circuits for which the fidelity can be estimated using other techniques like direct fidelity estimation and quantum state tomography. Here we demonstrate that, for simulated random quantum circuits with a realistic noise model, the trained model can predict the fidelities of more complicated circuits for which such methods are infeasible. In particular, we show that the trained model may make predictions for circuits with higher degrees of entanglement than were available in the training set and that the model may make predictions for non-Clifford circuits even when the training set included only Clifford-reducible circuits. This empirical demonstration suggests classical machine learning may be useful for making predictions about beyond-classical quantum circuits for some non-trivial problems.

97 MATHEMATICS AND COMPUTING↗

Trace Replay and Network Simulation Tool

TraceR is a trace reply tool built upon the ROSS-based CODES simulation framework. TraceR can be used for predicting network performances and understanding network behavior by simulating messaging in High Performance Computing applications on interconnection networks.

Acun, Bilge↗

Trace Replay and Network Simulation Tool

TraceR Is a trace replay tool built upon the ROSS-based CODES simulation framework. TraceR can be used for predicting network performance and understanding network behavior by simulating messaging In High Performance Computing applications on interconnection networks.

Jain, Nikhil↗

An Advanced Network and distributed Storage Laboratory (ANDSL) for Data Intensive Science (Final Report)

The original intent of this project was to build and operate an Advanced Network and Distributed Storage Laboratory (ANDSL) for Data Intensive Science that will prepare the Open Science Grid (OSG) community for a new generation of wide area communication capabilities operating at a 100Gb rate. The plan was to engage a team of four dedicated scientists that will design, develop and operate a state of the art laboratory that will be fully integrated into the organizational and operational infrastructure of the OSG. The ANDSL was planned to include host-based hardware and software required to profile, emulate and study real-life distributed storage workloads at rates of 100 Gbps. The laboratory was designed to utilize the Department Of Energy’s Advanced Network Initiative (ANI) 100GbTestbed as connections to the fabric become available so that OSG stakeholders can use it to profile real-life data intensive science applications as well as experiment with advanced storage and data management technologies. The goal of the original program of work was to close the adoption gap, decreasing the time between availability of production 100Gbps links and the end-to-end use of such a network to enable scientific discovery.

100Gb networks↗

Detecting Quantum Critical Points of Correlated Systems by Quantum Convolutional Neural Network Using Data from Variational Quantum Eigensolver

Machine learning has been applied to a wide variety of models, from classical statistical mechanics to quantum strongly correlated systems, for classifying phase transitions. The recently proposed quantum convolutional neural network (QCNN) provides a new framework for using quantum circuits instead of classical neural networks as the backbone of classification methods. We present the results from training the QCNN by the wavefunctions of the variational quantum eigensolver for the one-dimensional transverse field Ising model (TFIM). We demonstrate that the QCNN identifies wavefunctions corresponding to the paramagnetic and ferromagnetic phases of the TFIM with reasonable accuracy. The QCNN can be trained to predict the corresponding ‘phase’ of wavefunctions around the putative quantum critical point even though it is trained by wavefunctions far away. The paper provides a basis for exploiting the QCNN to identify the quantum critical point.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗