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At least 901 records · Page 50

Emergence of Complexity in Protein Functions and Metabolic Networks

In modern organisms proteins perform a majority of cellular functions, such as chemical catalysis, energy transduction and transport of material across cell walls. Although great strides have been made towards understanding protein evolution, a meaningful extrapolation from contemporary proteins to their earliest ancestors is virtually impossible. In an alternative approach, the origin of water-soluble proteins was probed through the synthesis of very large libraries of random amino acid sequences and subsequently subjecting them to in vitro evolution. In combination with computer modeling and simulations, these experiments allow us to address a number of fundamental questions about the origins of proteins. Can functionality emerge from random sequences of proteins? How did the initial repertoire of functional proteins diversify to facilitate new functions? Did this diversification proceed primarily through drawing novel functionalities from random sequences or through evolution of already existing proto-enzymes? Did protein evolution start from a pool of proteins defined by a frozen accident and other collections of proteins could start a different evolutionary pathway? Although we do not have definitive answers to these questions, important clues have been uncovered. Considerable progress has been also achieved in understanding the origins of membrane proteins. We will address this issue in the example of ion channels - proteins that mediate transport of ions across cell walls. Remarkably, despite overall complexity of these proteins in contemporary cells, their structural motifs are quite simple, with -helices being most common. By combining results of experimental and computer simulation studies on synthetic models and simple, natural channels, I will show that, even though architectures of membrane proteins are not nearly as diverse as those of water-soluble proteins, they are sufficiently flexible to adapt readily to the functional demands arising during evolution.

Pohorille, Andzej↗

Multi-fidelity modeling to predict the rheological properties of a suspension of fibers using neural networks and Gaussian processes

Unveiling the rheological properties of fiber suspensions is of paramount interest to many industrial applications. There are multiple factors, such as fiber aspect ratio and volume fraction, that play a significant role in altering the rheological behavior of suspensions. Three-dimensional (3D) numerical simulations of coupled differential equations of the suspension of fibers are computationally expensive and time-consuming. Machine learning algorithms can be trained on the available data and make predictions for the cases where no numerical data are available. However, some widely used machine learning surrogates, such as neural networks, require a relatively large training dataset to produce accurate predictions. Multi-fidelity models, which combine high-fidelity data from numerical simulations and less expensive lower fidelity data from resources such as simplified constitutive equations, can pave the way for more accurate predictions. Here, we focus on neural networks and the Gaussian processes with two levels of fidelity, i.e., high and low fidelity networks, to predict the steady-state rheological properties, and compare them to the single-fidelity network. High-fidelity data are obtained from direct numerical simulations based on an immersed boundary method to couple the fluid and solid motion. The low-fidelity data are produced by using constitutive equations. Multiple neural networks and the Gaussian process structures are used for the hyperparameter tuning purpose. Results indicate that with the best choice of hyperparameters, both the multi-fidelity Gaussian processes and neural networks are capable of making predictions with a high level of accuracy with neural networks demonstrating marginally better performance.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Neural Network-Based Sensor Validation for Turboshaft Engines

Sensor failure detection, isolation, and accommodation using a neural network approach is described. An auto-associative neural network is configured to perform dimensionality reduction on the sensor measurement vector and provide estimated sensor values. The sensor validation scheme is applied in a simulation of the T700 turboshaft engine in closed loop operation. Performance is evaluated based on the ability to detect faults correctly and maintain stable and responsive engine operation. The set of sensor outputs used for engine control forms the network input vector. Analytical redundancy is verified by training networks of successively smaller bottleneck layer sizes. Training data generation and strategy are discussed. The engine maintained stable behavior in the presence of sensor hard failures. With proper selection of fault determination thresholds, stability was maintained in the presence of sensor soft failures.

Moller, James C.↗

Delay and Disruption Tolerant Networking MACHETE Model

To verify satisfaction of communication requirements imposed by unique missions, as early as 2000, the Communications Networking Group at the Jet Propulsion Laboratory (JPL) saw the need for an environment to support interplanetary communication protocol design, validation, and characterization. JPL's Multi-mission Advanced Communications Hybrid Environment for Test and Evaluation (MACHETE), described in Simulator of Space Communication Networks (NPO-41373) NASA Tech Briefs, Vol. 29, No. 8 (August 2005), p. 44, combines various commercial, non-commercial, and in-house custom tools for simulation and performance analysis of space networks. The MACHETE environment supports orbital analysis, link budget analysis, communications network simulations, and hardware-in-the-loop testing. As NASA is expanding its Space Communications and Navigation (SCaN) capabilities to support planned and future missions, building infrastructure to maintain services and developing enabling technologies, an important and broader role is seen for MACHETE in design-phase evaluation of future SCaN architectures. To support evaluation of the developing Delay Tolerant Networking (DTN) field and its applicability for space networks, JPL developed MACHETE models for DTN Bundle Protocol (BP) and Licklider/Long-haul Transmission Protocol (LTP). DTN is an Internet Research Task Force (IRTF) architecture providing communication in and/or through highly stressed networking environments such as space exploration and battlefield networks. Stressed networking environments include those with intermittent (predictable and unknown) connectivity, large and/or variable delays, and high bit error rates. To provide its services over existing domain specific protocols, the DTN protocols reside at the application layer of the TCP/IP stack, forming a store-and-forward overlay network. The key capabilities of the Bundle Protocol include custody-based reliability, the ability to cope with intermittent connectivity, the ability to take advantage of scheduled and opportunistic connectivity, and late binding of names to addresses.

Segui, John S.↗

NASA IV&V's Cyber Range for Space Systems

A cyber range is a virtual environment that is used for cyberwarfare training and cyber technology development. It provides tools that help strengthen the stability, security and performance of cyber infrastructures and IT systems. NASA IV&V has created an adaptable virtual environment that is representative of a typical NASA mission system of systems environment that serves multiple purposes: Training of network defenders. Ability to perform simulated red vs blue training events. Ability to deploy mission specific technologies in a cyber contested environment. Ability to demonstrate vulnerabilities and their impact to ground and space systemsThe overall system is comprised of more than 70 virtual machines and physical infrastructure to demonstrate real-world cyber attacks against: email users, wireless networks, and physically implanted devices with command and control call-back. The cyber range was built to emulate a NASA precipitation satellite infrastructure.This presentation will give an overview of the virtual cyber range and how it was used to conduct a simulate red vs blue exercise with the goal of compromising the simulated spacecraft that utilizes real NASA flight software.

test and evaluation DT&E↗

Catalyst: Fast and flexible modeling of reaction networks

We introduce Catalyst.jl, a flexible and feature-filled Julia library for modeling and high-performance simulation of chemical reaction networks (CRNs). Catalyst supports simulating stochastic chemical kinetics (jump process), chemical Langevin equation (stochastic differential equation), and reaction rate equation (ordinary differential equation) representations for CRNs. Through comprehensive benchmarks, we demonstrate that Catalyst simulation runtimes are often one to two orders of magnitude faster than other popular tools. More broadly, Catalyst acts as both a domain-specific language and an intermediate representation for symbolically encoding CRN models as Julia-native objects. This enables a pipeline of symbolically specifying, analyzing, and modifying CRNs; converting Catalyst models to symbolic representations of concrete mathematical models; and generating compiled code for numerical solvers. Leveraging ModelingToolkit.jl and Symbolics.jl, Catalyst models can be analyzed, simplified, and compiled into optimized representations for use in numerical solvers. Finally, we demonstrate Catalyst’s broad extensibility and composability by highlighting how it can compose with a variety of Julia libraries, and how existing open-source biological modeling projects have extended its intermediate representation.

59 BASIC BIOLOGICAL SCIENCES↗

Software-defined network for end-to-end networked science at the exascale

Domain science applications and workflow processes are currently forced to view the network as an opaque infrastructure into which they inject data and hope that it emerges at the destination with an acceptable Quality of Experience. There is little ability for applications to interact with the network to exchange information, negotiate performance parameters, discover expected performance metrics, or receive status/troubleshooting information in real time. The work presented here is motivated by a vision for a new smart network and smart application ecosystem that will provide a more deterministic and interactive environment for domain science workflows. The Software-Defined Network for End-to-end Networked Science at Exascale (SENSE) system includes a model-based architecture, implementation, and deployment which enables automated end- to-end network service instantiation across administrative domains. An intent based interface allows applications to express their high-level service requirements, an intelligent orchestrator and resource control systems allow for custom tailoring of scalability and real-time responsiveness based on individual application and infrastructure operator requirements. This allows the science applications to manage the network as a first-class schedulable resource as is the current practice for instruments, compute, and storage systems. Deployment and experiments on production networks and testbeds have validated SENSE functions and performance. Emulation based testing verified the scalability needed to support research and education infrastructures. Key contributions of this work include an architecture definition, reference implementation, and deployment. This provides the basis for further innovation of smart network services to accelerate scientific discovery in the era of big data, cloud computing, machine learning and artificial intelligence.

47 OTHER INSTRUMENTATION↗

Exploring Randomly Wired Neural Networks for Climate Model Emulation

Exploring the climate impacts of various anthropogenic emissions scenarios is key to making informed decisions for climate change mitigation and adaptation. State-of-the-art Earth system models can provide detailed insight into these impacts but have a large associated computational cost on a per-scenario basis. This large computational burden has driven recent interest in developing cheap machine learning models for the task of climate model emulation. In this paper, we explore the efficacy of randomly wired neural networks for this task. We describe how they can be constructed and compare them with their standard feedforward counterparts using the ClimateBench dataset. Specifically, we replace the serially connected dense layers in multilayer perceptrons, convolutional neural networks, and convolutional long short-term memory networks with randomly wired dense layers and assess the impact on model performance for models with 1 million and 10 million parameters. We find that models with less-complex architectures see the greatest performance improvement with the addition of random wiring (up to 30.4% for multilayer perceptrons). Furthermore, of 24 different model architecture, parameter count, and prediction task combinations, only one had a statistically significant performance deficit in randomly wired networks relative to their standard counterparts, with 14 cases showing statistically significant improvement. We also find no significant difference in prediction speed between networks with standard feedforward dense layers and those with randomly wired layers. These findings indicate that randomly wired neural networks may be suitable direct replacements for traditional dense layers in many standard models.

54 ENVIRONMENTAL SCIENCES↗

Extension of a System Level Tool for Component Level Analysis

This paper presents an extension of a numerical algorithm for network flow analysis code to perform multi-dimensional flow calculation. The one dimensional momentum equation in network flow analysis code has been extended to include momentum transport due to shear stress and transverse component of velocity. Both laminar and turbulent flows are considered. Turbulence is represented by Prandtl's mixing length hypothesis. Three classical examples (Poiseuille flow, Couette flow, and shear driven flow in a rectangular cavity) are presented as benchmark for the verification of the numerical scheme.

Majumdar, Alok↗

Extension of a System Level Tool for Component Level Analysis

This paper presents an extension of a numerical algorithm for network flow analysis code to perform multi-dimensional flow calculation. The one dimensional momentum equation in network flow analysis code has been extended to include momentum transport due to shear stress and transverse component of velocity. Both laminar and turbulent flows are considered. Turbulence is represented by Prandtl's mixing length hypothesis. Three classical examples (Poiseuille flow, Couette flow and shear driven flow in a rectangular cavity) are presented as benchmark for the verification of the numerical scheme.

Majumdar, Alok↗

A Space Operations Network Alternative: Using Globally Connected Research and Education Networks for Space-Based Science Operations

Earth based networking in support of various space agency projects has been based on leased service/circuits which has a high associated cost. This cost is almost always taken from the science side resulting in less science. This is a proposal to use Research and Education Networks (RENs) worldwide to support space flight operations in general and space-based science operations in particular. The RENs were developed to support scientific and educational endeavors. They do not provide support for general Internet traffic. The connectivity and performance of the research and education networks is superb. The connectivity at Layer 3 (IP) virtually encompasses the globe. Most third world countries and all developed countries have their own research and education networks, which are connected globally. Performance of the RENs especially in the developed countries is exceptional. Bandwidth capacity currently exists and future expansion promises that this capacity will continue. REN performance statistics has always exceeded minimum requirements for spaceflight support. Research and Education networks are more loosely managed than a corporate network but are highly managed when compared to the commodity Internet. Management of RENs on an international level is accomplished by the International Network Operations Center at Indiana University at Indianapolis. With few exceptions, each regional and national REN has its own network ops center. The acceptable use policies (AUP), although differing by country, allows any scientific program or project the use of their networks. Once in compliance with the first RENs AUP, all others will accept that specific traffic including regional and transoceanic networks. RENs can support spaceflight related scientific programs and projects. Getting the science to the researcher is obviously key to any scientific project. RENs provide a pathway to virtually any college or university in the world, as well as many governmental institutes and science centers. RENs are not to be used for mission critical types of network traffic, even though RENs performance characteristics would support it.

Bradford, Robert N.↗

Simulation Evaluation of a Large-Scale Implementation of Virtual-Phase Link-Based Model Predictive Control

Traffic congestion is a serious problem in the US, and traffic signal control is one of the effective solutions to congestion. Previous research on model predictive control (MPC)-based traffic signal control showed substantial benefits over conventional methods. This study focused on implementing MPC over a large-scale network with complex intersections and the impact of cycle length, network size, and imperfect state estimation on performances. This study implemented a virtual phase link (VPL)-based model predictive control method which used the number of vehicles in each VPL as input state variables and was suitable for National Electrical Manufacturing Association (NEMA) ring-barrier control. To test the impact of network size, the performance of distributed MPC (36 intersections in the network are divided into five subnetworks) was compared with that of MPC over the full network for a set of cycle lengths. To test the impact of imperfect state estimation, we synthetically infused estimation error and developed two scenarios, MPC-error and MPC-error narrow, which had higher and lower estimation errors, respectively. The performance of these MPC methods was compared with that of the existing time-of-day (TOD) method and an offline method that used Webster's method for split and MULTIBAND for cycle length and offset optimization. Trajectory and linkwise signal performance measures were collected from the simulation to evaluate performance. The distributed MPC method with perfect state estimation had the lowest delay and highest energy efficiency of all the methods. The performance of MPC decreased as the prediction inaccuracy increased. MPC-error had 7% and 11% more delay than MPC-error narrow in the morning and evening peaks, respectively. Overall, simulation results suggest that even with imperfect state estimation, MPC methods will outperform offline methods significantly.

large-scale simulation↗

Illinois Express Quantum Network (IEQNET): metropolitan-scale experimental quantum networking over deployed optical fiber

The Illinois Express Quantum Network (IEQNET) is a program to realize metro-scale quantum networking over deployed optical fiber using currently available technology. IEQNET consists of multiple sites that are geographically dispersed in the Chicago metropolitan area. Each site has one or more quantum nodes (Qnodes) representing the communication parties in a quantum network. Q-nodes generate or measure quantum signals such as entangled photons and communicate the results via standard, classical, means. The entangled photons in IEQNET nodes are generated at multiple wavelengths, and are selectively distributed to the desired users via optical switches. Here we describe the network architecture of IEQNET, including the Internet-inspired layered hierarchy that leverages software-defined-networking (SDN) technology to perform traditional wavelength routing and assignment between the Q-nodes. Specifically, SDN decouples the control and data planes, with the control plane being entirely classical. Issues associated with synchronization, calibration, network monitoring, and scheduling will be discussed. An important goal of IEQNET is demonstrating the extent to which the control plane can coexist with the data plane using the same fiber lines. This goal is furthered by the use of tunable narrow-band optical filtering at the receivers and, at least in some cases, a wide wavelength separation between the quantum and classical channels. We envision IEQNET to aid in developing robust and practical quantum networks by demonstrating metro-scale quantum communication tasks such as entanglement distribution and quantum-state teleportation.

Chung, Joaquin↗

A neural network for the identification of measured helicopter noise

The results of a preliminary study of the components of a novel acoustic helicopter identification system are described. The identification system uses the relationship between the amplitudes of the first eight harmonics in the main rotor noise spectrum to distinguish between helicopter types. Two classification algorithms are tested; a statistically optimal Bayes classifier, and a neural network adaptive classifier. The performance of these classifiers is tested using measured noise of three helicopters. The statistical classifier can correctly identify the helicopter an average of 67 percent of the time, while the neural network is correct an average of 65 percent of the time. These results indicate the need for additional study of the envelope of harmonic amplitudes as a component of a helicopter identification system. Issues concerning the implementation of the neural network classifier, such as training time and structure of the network, are discussed.

Cabell, R. H.↗

Neural networks as a control methodology

While conventional computers must be programmed in a logical fashion by a person who thoroughly understands the task to be performed, the motivation behind neural networks is to develop machines which can train themselves to perform tasks, using available information about desired system behavior and learning from experience. There are three goals of this fellowship program: (1) to evaluate various neural net methods and generate computer software to implement those deemed most promising on a personal computer equipped with Matlab; (2) to evaluate methods currently in the professional literature for system control using neural nets to choose those most applicable to control of flexible structures; and (3) to apply the control strategies chosen in (2) to a computer simulation of a test article, the Control Structures Interaction Suitcase Demonstrator, which is a portable system consisting of a small flexible beam driven by a torque motor and mounted on springs tuned to the first flexible mode of the beam. Results of each are discussed.

Mccullough, Claire L.↗

Software-Defined Network for End-to-end Networked Science at the Exascale

Domain science applications and workflow processes are currently forced to view the network as an opaque infrastructure into which they inject data and hope that it emerges at the destination with an acceptable Quality of Experience. There is little ability for applications to interact with the network to exchange information, negotiate performance parameters, discover expected performance metrics, or receive status/troubleshooting information in real time. The work we presen here is motivated by a vision for a new smart network and smart application ecosystem that will provide a more deterministic and interactive environment for domain science workflows. The Software-Defined Network for End-to-end Networked Science at Exascale (SENSE) system includes a model-based architecture, implementation, and deployment which enables automated end-to-end network service instantiation across administrative domains. An intent based interface allows applications to express their high-level service requirements, an intelligent orchestrator and resource control systems allow for custom tailoring of scalability and real-time responsiveness based on individual application and infrastructure operator requirements. This allows the science applications to manage the network as a first-class schedulable resource as is the current practice for instruments, compute, and storage systems. Deployment and experiments on production networks and testbeds have validated SENSE functions and performance. Emulation based testing verified the scalability needed to support research and education infrastructures. Key contributions of this work include an architecture definition, reference implementation, and deployment. This provides the basis for further innovation of smart network services to accelerate scientific discovery in the era of big data, cloud computing, machine learning and artificial intelligence.

97 MATHEMATICS AND COMPUTING↗

Continuous automatic polarization channel stabilization from heterodyne detection of coexisting dim reference signals

Quantum networking continues to encode information in polarization states due to ease and precision. The variable environmental polarization transformations induced by deployed fiber need correction for deployed quantum networking. Here, we present a method for automatic polarization compensation (APC) and demonstrate its performance on a metropolitan quantum network. Designing an APC involves many design decisions as indicated by the diversity of previous solutions in the literature. Our design leverages heterodyne detection of wavelength-multiplexed dim classical references for continuous high-bandwidth polarization measurements used by newly developed multi-axis (non-)linear control algorithm(s) for complete polarization channel stabilization with no downtime. This enables continuous relatively high-bandwidth correction without significant added noise from classical reference signals. We demonstrate the performance of our APC using a variety of classical and quantum characterizations. Finally, we use C-band and L-band APC versions to demonstrate continuous high-fidelity entanglement distribution on a metropolitan quantum network with an average relative fidelity of 0.94 ± 0.03 for over 30 hrs.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗