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At least 1,747 records · Page 97

GASNet-EX Performance Improvements Due to Specialization for the Cray Aries Network

This document is a deliverable for milestone STPM17-6 of the Exascale Computing Project, delivered by WBS 2.3.1.14. It reports on the improvements in performance observed on Cray XC-series systems due to enhancements made to the GASNet-EX software. These enhancements, known as “specializations”, primarily consist of replacing network-independent implementations of several recently added features with implementations tailored to the Cray Aries network. Performance gains from specialization include (1) Negotiated-Payload Active Messages improve bandwidth of a ping-pong test by up to 14%, (2) Immediate Operations reduce running time of a synthetic benchmark by up to 93%, (3) non-bulk RMA Put bandwidth is increased by up to 32%, (4) Remote Atomic performance is 70% faster than the reference on a point-to-point test and allows a hot-spot test to scale robustly, and (5) non-contiguous RMA interfaces see up to 8.6x speedups for an intra-node benchmark and 26% for inter-node. These improvements are available in the GASNet-EX 2018.3.0 release.

97 MATHEMATICS AND COMPUTING↗

A Survey of Distributed Optimization

In distributed optimization of multi-agent systems, agents cooperate to minimize a global function which is a sum of local objective functions. Motivated by applications including power systems, sensor networks, smart buildings, and smart manufacturing, various distributed optimization algorithms have been developed. In these algorithms, each agent performs local computation based on its own information and information received from its neighboring agents through the underlying communication network, so that the optimization problem can be solved in a distributed manner. This survey paper aims to offer a detailed overview of existing distributed optimization algorithms and their applications in power systems. More specifically, we first review discrete-time and continuous-time distributed optimization algorithms for undirected graphs. We then discuss how to extend these algorithms in various directions to handle more realistic scenarios. Finally, we focus on the application of distributed optimization in the optimal coordination of distributed energy resources.

Yang, Tao↗

Muon Neutrino Disappearance in NOvA with a Deep Convolutional Neural Network Classifier

The NuMI Off-axis Neutrino Appearance Experiment (NOvA) is designed to study neutrino oscillation in the NuMI (Neutrinos at the Main Injector) beam. NOvA observes neutrino oscillation using two detectors separated by a baseline of 810 km; a 14 kt Far Detector in Ash River, MN and a functionally identical 0.3 kt Near Detector at Fermilab. The experiment aims to provide new measurements of Δm 2 and θ23 and has potential to determine the neutrino mass hierarchy as well as observe CP violation in the neutrino sector. Essential to these analyses is the classification of neutrino interaction events in NOvA detectors. Raw detector output from NOvA is interpretable as a pair of images which provide orthogonal views of particle interactions. A recent advance in the field of computer vision is the advent of convolutional neural networks, which have delivered top results in the latest image recognition contests. This work presents an approach novel to particle physics analysis in which a convolutional neural network is used for classification of particle interactions. The approach has been demonstrated to improve the signal efficiency and purity of the event selection, and thus physics sensitivity. Early NOvA data has been analyzed (2.74×10 20 POT, 14 kt equivalent) to provide new best- fit measurements of sin 2 (θ23) = 0.43 (with a statistically-degenerate compliment near 0.60) and |Δm2 | = 2.48 × 10 -3 eV 2 .

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Designing networks: A mixed-integer linear optimization approach

Designing networks with specified collective properties is useful in a variety of application areas, enabling the study of how given properties affect the behavior of network models, the downscaling of empirical networks to workable sizes, and the analysis of network temporal evolution. Despite the importance of the task, there currently exists a gap in our ability to systematically generate networks that adhere to theoretical guarantees for the given property specifications. In this work, we propose the use of Mixed-Integer Linear Optimization modeling and solution methodologies to address this Network Generation Problem. We present useful modeling techniques and apply them to mathematically express and constrain a broad class of network properties in the context of an optimization formulation. We derive complete formulations for the generation of networks that attain specified levels of connectivity, spread, assortativity and robustness, and we illustrate these via a number of computational case studies.

97 MATHEMATICS AND COMPUTING↗

Cyber-Secure and Safe Operation of Solar Photovoltaic Power Distribution Systems

Solar photovoltaic (PV)-rich power distribution systems are networked Cyber-Physical Systems (CPS). These are control systems where multiple computing nodes and diverse intelligent agents interact with the physical world in real-time. However, the presence of networked components renders them vulnerable to potential cyber-attacks, cyber-intrusions, and other malicious events. This is because these systems depend on the measurements reported from their heterogeneous sensors. This makes them vulnerable to potential cyber-attacks where malicious agents can compromise the sensors or the communication networks carrying the sensor measurements. This paper proposes a novel methodology for enhancing the cyber-security and cyber-resilient post-attack safe operation of solar PV-rich power distribution systems against potential cyber-attacks through the Dynamic Watermarking (DW), using online system identification. The resiliency of the proposed technique is tested and validated with several attack scenarios on both a lab-scale 3kW grid-connected PV inverter and a Hardware-in-the-Loop (HiL) system. The proposed approach can be applied to other types of power distribution systems to enhance their cyber-secure and cyber-resilient safe operation. This paper thereby contributes to the field of cyber-security of Cyber-Physical Energy Systems (CPES).

Kim, Jaewon↗

A Reversed Impedance-Based Stability Criterion for IBR Grids: Preprint

The existing impedance-based stability criterion is effective for analyzing local control interactions; however, it is difficult to scale the existing criterion to analyze wide-area control interactions among numerous IBRs through a complex power system network. The scaled version of the existing criterion requires the impedance response of each IBR in the system as well as of the network looking from all the IBRs. It is quite challenging to obtain all these impedance responses because of the computational effort and the requirement of separately scanning the impedance of the network and the IBRs. We propose a reversed criterion for the impedance-based stability analysis to address these problems. In contrast to the existing criterion, the reversed criterion analyzes the stability of a power system when an IBR is disconnected from the system. The reversed criterion estimates the impact of an IBR on the frequency and damping of power system oscillation modes using the impedance scans of only the IBR and the grid at its terminal. It can be sequentially applied at different IBRs to evaluate their impact on the power system stability. In addition to scalability, the reversed criterion gives flexibility to focus only on a few selected IBRs, depending on their rating, the magnitude of oscillations observed at their terminals, and the vendor support available for implementing stabilizing control system updates. The reversed criterion is demonstrated on a 14-bus power system with 100% IBRs.

control interactions↗

Enabling Innovation in Wind Turbine Design Using Artificial Intelligence

The Inverse Network Transformations for Efficient Generation of Robust Airfoil and Turbine Enhancements (INTEGRATE) project is developing a new inverse-design capability for wind turbine rotors using invertible neural networks. This artificial intelligence (AI)-based technology can capture complex nonlinear aerodynamic effects 100 times faster than alternative design approaches.

aerodynamics↗

Predicting Flow in Fracture Networks With Quantum Algorithms

Uncertainty quantification plays a crucial role in the modeling of subsurface flow. For instance, uncertainties in the properties of geologic fracture networks significantly impact flow, requiring numerous simulations to accurately estimate quantities of interest. However, each simulation is computationally expensive because it requires solving a large linear system to capture features that involve both small and large fractures. An example is in percolation, where the interaction of many small fractures (which cumulatively can have a large surface area) with the rock matrix must be modeled precisely. Quantum computing is an emerging tool with the potential to address this issue. Quantum algorithms offer a significant speedup in solving linear systems, achieving efficiencies that are challenging to match with classical approaches. These classical approaches include direct solvers, such as LU decomposition, and iterative methods, notably preconditioned conjugate gradient, commonly used in subsurface modeling to solve large sparse systems. However, applying quantum algorithms to geologic fracture flow requires careful attention to algorithmic and problem-specific constraints to fully realize this quantum advantage. In this work we describe a quantum algorithm for generalized Monte Carlo applications with a quadratic speedup over the classical approaches which can be combined with the quantum speedup, currently under investigation, for solving quantum linear systems for subsurface flow. We show that for quantum algorithms the computational cost of estimating a quantity of interest for a statistical ensemble of networks is roughly the same as that of a single realization, essentially implying that one can get uncertainty quantification for free.

58 GEOSCIENCES↗

Geological Sequestration Training and Research Program in Capture and Transport: Development of the Most Economical Separation Method for CO2 Capture

The project provided hands-on training and networking opportunities to undergraduate students in the area of carbon dioxide (CO2) capture and transport, through fundamental research study focused on advanced separation methods that can be applied to the capture of CO2 resulting from the combustion of fossil-fuels for power generation . The project team’s approach to achieve its objectives was to leverage existing Carbon Capture and Storage (CCS) course materials and teaching methods to create and implement an annual CCS short course for the Tuskegee University community; conduct a survey of CO2 separation and capture methods; utilize data to verify and develop computer models for CO2 capture and build CCS networks and hands-on training experiences. The objectives accomplished as a result of this project were: (1) A comprehensive survey of CO2 capture methods was conducted and mathematical models were developed to compare the potential economics of the different methods based on the total cost per year per unit of CO2 avoidance; and (2) Training was provided to introduce the latest CO2 capture technologies and deployment issues to the university community.

Vahdat, Nader↗

Collective neural network behavior in a dynamically driven disordered system of superconducting loops

Collective properties of complex systems composed of many interacting components such as neurons in our brain can be modeled by artificial networks based on disordered systems. We show that a disordered neural network of superconducting loops with Josephson junctions can exhibit computational properties like categorization and associative memory in the time evolution of its state in response to information from external excitations. Superconducting loops can trap multiples of fluxons in many discrete memory configurations defined by the local free energy minima in the configuration space of all possible states. A memory state can be updated by exciting the Josephson junctions to fire or allow the movement of fluxons through the network as the current through them surpasses their critical current thresholds. Simulations performed with a lumped element circuit model of a 4-loop network show that information written through excitations is translated into stable states of trapped flux and their time evolution. Experimental implementation on a high-Tc superconductor YBCO-based 4-loop network shows dynamically stable flux flow in each pathway characterized by the correlations between junction firing statistics. Neural network behavior is observed as energy barriers separating state categories in simulations in response to multiple excitations, and experimentally as junction responses characterizing different flux flow patterns in the network. The state categories that produce these patterns have different temporal stabilities relative to each other and the excitations. This provides strong evidence for time-dependent (short-to-long-term) memories, that are dependent on the geometrical and junction parameters of the loops, as described with a network model.

Josephson junctions↗

Software defined networking moving target defense honeypot

Disclosed herein are systems, methods, and storage media for thwarting cyber-attacks and data theft. A computing system receives packets and compares with a configuration resource. The computing system determines that the packet does not match the configuration resource and transmits a packet to a decoy environment via an SDN switch. The decoy environment is configured to generate time-out, service unavailable, or restricted access messages. In some embodiments, the computing system determines the packet does match the configuration and transmits the packet to a production network via an SDN switch. The SDN switch is communicatively connected to the decoy environment through a first channel and communicatively connected to a production environment through a separate second channel. The computing system is further configured to create and transmit to the SDN switch, rules to manage transmitting the packet to either the decoy environment or the production environment.

Lyle, Joshua A.↗

Surrogate Modeling of Landau Damping with Deep Operator Networks

Kinetic simulations excel at capturing microscale plasma physics phenomena with high accuracy, but their computational demands make them impractical for modeling large-scale space and astrophysical systems. In this context, we build a surrogate model, using Deep Operator Networks (DeepONets), based upon the Vlasov–Poisson simulation data to model the dynamical evolution of plasmas, focusing on the Landau damping process—a fundamental kinetic phenomenon in space and astrophysical plasmas. The trained DeepONets are able to capture the evolution of electric field energy in both linear and nonlinear regimes under various conditions. Extensive validation highlights DeepONets’ robust performance in reproducing complex plasma behaviors with high accuracy, paving the way for large-scale modeling of space and astrophysical plasmas.

plasma astrophysics↗

Final Report. Analysis and Reduction of Complex Networks Under Uncertainty

The project was a collaborative effort among MIT, Sandia National Laboratories (local PI Dr. Habib Najm), the University of Southern California (local PI Prof. Roger Ghanem), and The Johns Hopkins University (local PI Prof. Omar Knio, now at Duke University). Our focus was the analysis and reduction of large-scale dynamical systems emerging from networks of interacting components. Such networks underlie myriad natural and engineered systems. Examples important to DOE include chemical models of energy conversion processes, and elements of national infrastructure—e.g., electric power grids. Time scales in chemical systems span orders of magnitude, while infrastructure networks feature both local and long-distance connectivity, with associated clusters of time scales. These systems also blend continuous and discrete behavior; examples include saturation phenomena in surface chemistry and catalysis, and switching in electrical networks. Reducing size and stiffness is essential to tractable and predictive simulation of these systems. Computational singular perturbation (CSP) has been effectively used to identify and decouple dynamics at disparate time scales in chemical systems, allowing reduction of model complexity and stiffness. In realistic settings, however, model reduction must contend with uncertainties, which are often greatest in large-scale systems most in need of reduction. Uncertainty is not limited to parameters; one must also address structural uncertainties—e.g., whether a link is present in a network—and the impact of random perturbations, e.g., fluctuating loads or sources. Research under this project developed new methods for the analysis and reduction of complex multiscale networks under uncertainty, by combining computational singular perturbation (CSP) with probabilistic uncertainty quantification. CSP yields asymptotic approximations of reduceddimensionality “slow manifolds” on which a multiscale dynamical system evolves. Introducing uncertainty in this context raised fundamentally new issues, e.g., how is the topology of slow manifolds transformed by parametric uncertainty? How to construct dynamical models on these uncertain manifolds? To address these questions, we used stochastic spectral polynomial chaos (PC) methods to reformulate uncertain network models and analyzed them using CSP in probabilistic terms. Finding uncertain manifolds involved the solution of stochastic eigenvalue problems, facilitated by projection onto PC bases. These problems motivated us to explore the spectral properties stochastic Galerkin systems. We also introduced novel methods for rank-reduction in stochastic eigensystems—transformations of a uncertain dynamical system that lead to lower storage and solution complexity. These technical accomplishments are detailed below. This report focuses on the MIT portion of the joint project.

97 MATHEMATICS AND COMPUTING↗

Award ER25844: Minimizing System Noise Effects for Extreme-Scale Scientific Simulation Through Function Delegation

In software running on distributed computing clusters, time spent on communication between nodes in the cluster can be a significant portion of the overall computation time; background operating system tasks and other computational noise on the nodes of the system can have a significant impact on the amount of time this communication takes, especially on large systems. The research completed in this period has improved understanding of when such noise will have a significant impact. Specifically, it was demonstrated that not just noise on the nodes, but also noise on the network between nodes can have a significant impact on computation time. It was also demonstrated that noise patterns matter more than noise intensity: very regular noise can cause less disruption than lighter (on average) but less regular noise. It was also demonstrated that the effect of noise is more prominent as the speed of the network between nodes is increased. Furthermore, a tracing tool, Netgauge, was improved via our work, and a system simulator, LogGOPSim, was developed; they can be used by application developers to improve performance of their program and by system designers to mitigate the effects of noise by adjusting the noise characteristics of the operating system. Both have been made freely available as open source programs. In the course of developing these tools, we demonstrated weaknesses in existing methodologies for modeling communication, and we introduced a more detailed model, LogGOPS, for simulating systems. Not only were the deleterious effects of noise explored but we have also offered solutions. Our studies of simulations of system noise have led to specific recommendations on tuning systems to mitigate noise. We have also improved existing approaches to mitigating noise. Non-blocking collective communication avoids the effects of noise by letting communication continue simultaneously with computation (thus being non-blocking), so that the delays in communication introduced by noise have a smaller impact on overall computation time. Potentially, noise can be reduced much further by offloading communication tasks to a separate processing element than the operating system is using. We have improved our library LibNBC, which provides an implementation of non-blocking collectives, via this work. During this research, our proposal to include non-blocking collectives (which used LibNBC as a reference implementation) in the upcoming MPI-3 standard was accepted. As MPI is a ubiquitous and important standard for communication in parallel computing, this demonstrates a certain acceptance of the practicality and desirability of non-blocking collectives. Now that non-blocking collectives are a part of the standard we can expect to see optimized platform-specific implementations of non-blocking collectives. Also as part of this work we have also developed a language GOAL (Global Operation Assembly Language) that can be used as a starting point for defining languages to express optimized communication algorithms.

97 MATHEMATICS AND COMPUTING↗

Neural Networks as Surrogates of Nonlinear High-Dimensional Parameter-to-Prediction Maps

We present a preliminary investigation of the use of Multi-Layer Perceptrons (MLP) and Recurrent Neural Networks (RNNs) as surrogates of parameter-to-prediction maps of computational expensive dynamical models. In particular, we target the approximation of Quantities of Interest (QoIs) derived from the solution of a Partial Differential Equations (PDEs) at different time instants. In order to limit the scope of our study while targeting a relevant application, we focus on the problem of computing variations in the ice sheets mass (our QoI), which is a proxy for global mean sea-level changes. We present a number of neural network formulations and compare their performance with that of Polynomial Chaos Expansions (PCE) constructed on the same data.

97 MATHEMATICS AND COMPUTING↗

Visualisation and outlier detection for probability density function ensembles

Abstract Exploratory data analysis (EDA) for functional data—data objects where observations are entire functions—is a difficult problem that has seen significant attention in recent literature. This surge in interest is motivated by the ubiquitous nature of functional data, which are prevalent in applications across fields such as meteorology, biology, medicine and engineering. Empirical probability density functions (PDFs) can be viewed as constrained functional data objects that must integrate to one and be nonnegative. They show up in contexts such as yearly income distributions, zooplankton size structure in oceanography and in connectivity patterns in the brain, among others. While PDF data are certainly common in modern research, little attention has been given to EDA specifically for PDFs. In this paper, we extend several methods for EDA on functional data for PDFs and compare them on simulated data that exhibit different types of variation, designed to mimic that seen in real‐world applications. We then use our new methods to perform EDA on the breakthrough curves observed in gas transport simulations for underground fracture networks.

97 MATHEMATICS AND COMPUTING↗

Quantum-inspired weight-constrained neural network: Reducing variable numbers by 100× compared to standard neural networks

Although quantum machine learning has shown great promise, the practical application of quantum computers remains constrained in the noisy intermediate-scale quantum era. To take advantage of quantum machine learning, we investigate the underlying mathematical principles of these quantum models and find that the quantum neural network with amplitude encoding is equivalent to a weight-constrained neural network. Motivated by this discovery, we develop a classical weight-constrained neural network. We find that this approach can reduce the number of variables in a classical neural network by a factor of 135 while preserving its accuracy. In addition, we develop a dropout method to enhance the robustness of quantum machine learning models, which are highly susceptible to adversarial attacks. This technique can also be applied to improve the adversarial robustness of the classical weight-constrained neural network, which is essential for industry applications, such as self-driving vehicles. Our work offers an approach to reduce the complexity of large classical neural networks, addressing a critical challenge in machine learning.

quantum algorithms & computation↗