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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 1,441 records · Page 80
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Using Digital Trace Data to Identify Regions and Cities

A greater understanding of human dynamics as they play out in both physical space and through inter-personal communication is vital for the design and development of intelligent and resilient cities. Physical context provides insight in to the space-time distribution of population and their activity patterns, while inter-personal communication can, for the first time, be measured at scale through virtual interactions. The confluence of these two enables spatial social network analysis in the built environment for edge computing, knowledge discovery, and artificial intelligence activities. In this work, we propose a novel method to discover such dynamics. We use a dataset of 72 million tweets to develop a spatially embedded network of communication, and then use community detection algorithms to explore regional and urban delineation in the United States. We find that the broad spatial delineation of communities and community sub-structure is consistent with major United States socio-cultural regions, states, and major metropolitan areas. We describe how these methods could be extended to generate a measure of socially cohesive regions that can be consistently applied anywhere there is a sufficiently rich data source. We hope the proposed methods will generate new perspectives on smart and resilient cities.

Brelsford, Christa↗
DOE OSTI2024

A Comprehensive Analysis of PINNs for Power System Transient Stability

The integration of machine learning in power systems, particularly in stability and dynamics, addresses the challenges brought by the integration of renewable energies and distributed energy resources (DERs). Traditional methods for power system transient stability, involving solving differential equations with computational techniques, face limitations due to their time-consuming and computationally demanding nature. This paper introduces physics-informed Neural Networks (PINNs) as a promising solution for these challenges, especially in scenarios with limited data availability and the need for high computational speed. PINNs offer a novel approach for complex power systems by incorporating additional equations and adapting to various system scales, from a single bus to multi-bus networks. Our study presents the first comprehensive evaluation of physics-informed Neural Networks (PINNs) in the context of power system transient stability, addressing various grid complexities. Additionally, we introduce a novel approach for adjusting loss weights to improve the adaptability of PINNs to diverse systems. Our experimental findings reveal that PINNs can be efficiently scaled while maintaining high accuracy. Furthermore, these results suggest that PINNs significantly outperform the traditional ode45 method in terms of efficiency, especially as the system size increases, showcasing a progressive speed advantage over ode45.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Current and future directions in network biology

Network biology is an interdisciplinary field bridging computational and biological sciences that has proved pivotal in advancing the understanding of cellular functions and diseases across biological systems and scales. Although the field has been around for two decades, it remains nascent. It has witnessed rapid evolution, accompanied by emerging challenges. These stem from various factors, notably the growing complexity and volume of data together with the increased diversity of data types describing different tiers of biological organization. We discuss prevailing research directions in network biology, focusing on molecular/cellular networks but also on other biological network types such as biomedical knowledge graphs, patient similarity networks, brain networks, and social/contact networks relevant to disease spread. In more detail, we highlight areas of inference and comparison of biological networks, multimodal data integration and heterogeneous networks, higher-order network analysis, machine learning on networks, and network-based personalized medicine. Following the overview of recent breakthroughs across these five areas, we offer a perspective on future directions of network biology. Additionally, we discuss scientific communities, educational initiatives, and the importance of fostering diversity within the field. This article establishes a roadmap for an immediate and long-term vision for network biology.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Disruption-Robust Community Detection Using Consensus Clustering in Complex Networks

Topological (graph-theoretic) analysis of critical infrastructure networks provides insight on several aspects of resilience. Graph clustering or community detection, which identifies densely connected components in a graph, has been employed for analysis. In this paper, we propose employing consensus clustering, which is a technique to determine consensus from a collection of different clusters on an input, such that the resulting clustering is robust to disruptions, where a disruption is represented as loss of one or more vertices or edges in the graph. Using two critical infrastructure networks as case studies, we empirically demonstrate the need to compute consensus clustering in order to address the drastic changes in the topology due to disruptions in the network.

Hussain, Md Taufique↗
DOE OSTI2018

NeoN: Neuromorphic Control for Autonomous Robotic Navigation

In this paper we describe the use of a new neuromorphic computing framework to implement the navigation system for a roaming, obstacle avoidance robot. Using a Dynamic Adaptive Neural Network Array (DANNA) structure, our TENNLab (Laboratory of Tennesseans Exploring Neural Networks) hardware/software co-design framework and evolutionary optimization (EO) as the training algorithm, we create, train, implement, and test a spiking neural network autonomous robot control system using an array of neuromorphic computing elements built on an FPGA. The simplicity and flexibility of the DANNA neuromorphic computing elements allow for sufficient scale and connectivity on a Xilinx Kintex-7 FPGA to support sensory input and motor control for a mobile robot to navigate a dynamically changing environment. We further describe how more complex capabilities can be added using the same platform, e.g. object identification and tracking.

Mitchell, J. Parker↗
DOE OSTI2023

Quantum reservoir computing implementation on coherently coupled quantum oscillators

Quantum reservoir computing is a promising approach for quantum neural networks, capable of solving hard learning tasks on both classical and quantum input data. However, current approaches with qubits suffer from limited connectivity. We propose an implementation for quantum reservoir that obtains a large number of densely connected neurons by using parametrically coupled quantum oscillators instead of physically coupled qubits. We analyze a specific hardware implementation based on superconducting circuits: with just two coupled quantum oscillators, we create a quantum reservoir comprising up to 81 neurons. We obtain state-of-the-art accuracy of 99% on benchmark tasks that otherwise require at least 24 classical oscillators to be solved. Our results give the coupling and dissipation requirements in the system and show how they affect the performance of the quantum reservoir. Beyond quantum reservoir computing, the use of parametrically coupled bosonic modes holds promise for realizing large quantum neural network architectures, with billions of neurons implemented with only 10 coupled quantum oscillators.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Acceleration of Graph Neural Network-Based Prediction Models in Chemistry via Co-Design Optimization on Intelligence Processing Units

Atomic structure prediction and associated property calculations are the bedrock of chemical physics. Since high-fidelity ab initio modeling techniques for computing the structure and properties can be prohibitively expensive, this motivates the development of machine-learning (ML) models that make these predictions more efficiently. Training graph neural networks over large atomistic databases introduces unique computational challenges such as the need to process millions of small graphs with variable size and support communication patterns that are distinct from learning over large graphs such as social networks. We demonstrate a novel hardware-software co-design approach to scale up the training of atomistic graph neural networks (GNN) for structure and property prediction. First, to eliminate redundant computation and memory associated with alternative padding techniques and to improve throughput via minimizing communication, we formulate the effective coalescing of the batches of variable-size atomistic graphs as the bin packing problem and introduce a hardware-agnostic algorithm to pack these batches. In addition, we propose hardware-specific optimizations including a planner and vectorization for the gather-scatter operations targeted for Graphcore’s Intelligence Processing Unit (IPU), as well as model-specific optimizations such as merged communication collectives and optimized softplus. Putting these all together, we demonstrate the effectiveness of the proposed co-design approach by providing an implementation of a well-established atomistic GNN on the Graphcore IPUs. We evaluate the training performance on multiple atomistic graph databases with varying degrees of graph counts, sizes and sparsity. Here, we demonstrate that such a co-design approach can reduce the training time of atomistic GNNs and can improve the performance by up to 1.5× compared to the baseline implementation of the model on the IPUs. Additionally, we compare our IPU implementation with a Nvidia GPU-based implementation and show that our atomistic GNN implementation on the IPUs can run 1.8× faster on average compared to the execution time on the GPUs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

The SONATA data format for efficient description of large-scale network models

Increasing availability of comprehensive experimental datasets and of high-performance computing resources are driving rapid growth in scale, complexity, and biological realism of computational models in neuroscience. To support construction and simulation, as well as sharing of such large-scale models, a broadly applicable, flexible, and high-performance data format is necessary. To address this need, we have developed the Scalable Open Network Architecture TemplAte (SONATA) data format. It is designed for memory and computational efficiency and works across multiple platforms. The format represents neuronal circuits and simulation inputs and outputs via standardized files and provides much flexibility for adding new conventions or extensions. SONATA is used in multiple modeling and visualization tools, and we also provide reference Application Programming Interfaces and model examples to catalyze further adoption. SONATA format is free and open for the community to use and build upon with the goal of enabling efficient model building, sharing, and reproducibility.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Active Betweenness Cardinality: Algorithms and Applications

Centrality rankings such as degree, closeness, betweenness, Katz, PageRank, etc. are commonly used to identify critical nodes in a graph. These methods are based on two assumptions that restrict their wider applicability. First, they assume the exact topology of the network is available. Secondly, they do not take into account the activity over the network and only rely on its topology. However, in many applications, the network is autonomous, vast, and distributed, and it is hard to collect the exact topology. At the same time, the underlying pairwise activity between node pairs is not uniform and node criticality strongly depends on the activity on the underlying network. In this paper, we propose active betweenness cardinality, as a new measure, where the node criticalities are based on not the static structure, but the activity of the network. We show how this metric can be computed efficiently by using only local information for a given node and how we can find the most critical nodes starting from only a few nodes. We also show how this metric can be used to monitor a network and identify failed nodes. We present experimental results to show effectiveness by demonstrating how the failed nodes can be identified by measuring active betweenness cardinality of a few nodes in the system.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Linking Associations of Rare Low-Abundance Species to Their Environments by Association Networks

Studies of microbial communities by targeted sequencing of rRNA genes lead to recovering numerous rare low-abundance taxa with unknown biological roles. We propose to study associations of such rare organisms with their environments by a computational framework based on transformation of the data into qualitative variables. Namely, we analyze the sparse table of putative species or OTUs (operational taxonomic units) and samples generated in such studies, also known as an OTU table, by collecting statistics on co-occurrences of the species and on shared species richness across samples. Based on the statistics we built two association networks, of the rare putative species and of the samples respectively, using a known computational technique, Association networks (Anets) developed for analysis of qualitative data. Clusters of samples and clusters of OTUs are then integrated and combined with metadata of the study to produce a map of associated putative species in their environments. We tested and validated the framework on two types of microbiomes, of human body sites and that of the Populus tree root systems. We show that in both studies the associations of OTUs can separate samples according to environmental or physiological characteristics of the studied systems.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

3D Quantification of Pore Networks and Anthropogenic Carbon Mineralization in Stacked Basalt Reservoirs

Basalt formations are promising candidates for the geologic storage of anthropogenic CO 2 due to their storage capacity, porosity, permeability, and reactive geochemical trapping ability. The Wallula Basalt Carbon Storage Pilot Project demonstrated that supercritical CO 2 injected into >800 m deep Columbia River Basalt Group stacked reservoir flow tops mineralizes to ankerite-siderite-aragonite on month-year timescales, with 60% of the 977 metric tonnes of CO 2 converted within two years. The potential impacts of mineral precipitation and consequent changes on rock porosity, pore structure, pore size, and pore size distributions have likely been underestimated hitherto. Herein, we address these knowledge gaps using X-ray Micro Computed Tomography (XMT) to evaluate the pore network architecture of sidewall cores recovered two years after CO 2 injection. In the present study, we performed a detailed quantitative analysis of the CO 2 -reacted basalt cores by XMT imaging. Reconstructed 3D images were analyzed to study the distribution and volumetric details of porosity and carbonate nodules in the cores along with the various other phases, providing insight into paragenesis and carbonate growth mechanisms, including mineralogic/chemical zonation. Finally, these findings are being used to parametrize multiphase reactive transport models to predict the fate and transport of subsurface CO 2 , enabling scale-up to commercial-scale geologic carbon storage in basalts and other reactive mafic-ultramafic formations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2014

Workshop on Field Theoretic Simulations in Particle Physics and Condensed Matter

A two and half day workshop at Boston University, devoted to a discussion of common problems in the theoretical and computational study of particle physics and condensed matter. The phase structure of strongly coupled quantum field theories are of great interest in condensed matter and high energy physics. For example, the study of strongly correlated systems, such as frustrated quantum anti-ferromagnets, have suggested the existence of phases in which the low energy excitations do not have the quantum numbers of electrons but are fractionalized. The field description of such systems are typically topological quantum field theories. The latter have also proved important in constructing supersymmetric lattice gauge theories. Quantum critical systems in condensed matter are described by conformal field theories which have the subject of much recent work in the context of theories of Beyond Standard Model physics. Finally, theoretical holographic techniques originating in string theory may offer a new tool to investigate strongly interacting electrons. In parallel with these theoretical developments there has been rapid progress in computational methods in both fields; from tensor networks and density matrix renormalization group techniques to the rational hybrid Monte Carlo algorithm and techniques to ameliorate the famous sign problem. It is thus a propitious time to bring both communities together to stimulate an exchange of ideas and facilitate possible future collaborations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Accelerating Radiation Computations for Dynamical Models With Targeted Machine Learning and Code Optimization

Abstract Atmospheric radiation is the main driver of weather and climate, yet due to a complicated absorption spectrum, the precise treatment of radiative transfer in numerical weather and climate models is computationally unfeasible. Radiation parameterizations need to maximize computational efficiency as well as accuracy, and for predicting the future climate many greenhouse gases need to be included. In this work, neural networks (NNs) were developed to replace the gas optics computations in a modern radiation scheme (RTE+RRTMGP) by using carefully constructed models and training data. The NNs, implemented in Fortran and utilizing BLAS for batched inference, are faster by a factor of 1–6, depending on the software and hardware platforms. We combined the accelerated gas optics with a refactored radiative transfer solver, resulting in clear‐sky longwave (shortwave) fluxes being 3.5 (1.8) faster to compute on an Intel platform. The accuracy, evaluated with benchmark line‐by‐line computations across a large range of atmospheric conditions, is very similar to the original scheme with errors in heating rates and top‐of‐atmosphere radiative forcings typically below 0.1 K day −1 and 0.5 W m −2 , respectively. These results show that targeted machine learning, code restructuring techniques, and the use of numerical libraries can yield material gains in efficiency while retaining accuracy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Distributed Small-Signal Stability Conditions for Inverter-Based Unbalanced Microgrids

The proliferation of inverter-based generation and advanced sensing, controls, and communication infrastructure have facilitated accelerated deployment of microgrids. A coordinated network of microgrids can maintain reliable power delivery to critical facilities during extreme events. Low-inertia offered by the power-electronics–interfaced energy resources, however, can present significant challenges to ensuring stable operation of the microgrids. In this work, distributed small-signal stability conditions for inverter-based microgrids are developed that involve the droop-controller parameters and the network parameters (e.g. line impedances, loads). The distributed closed-form parametric stability conditions derived in this paper can be verified in a computationally efficient manner, facilitating reliable design and operations of networks of microgrids. Dynamic phasor models have been used to capture the effects of electromagnetic transients. Furthermore, numerical results are presented, along with PSCAD simulations, to validate the analytical stability conditions. Effects of design choices, such as the conductor types, and inverter sizes, on the small-signal stability of inverter-based microgrids are investigated to derive useful engineering insights.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Assessment of Cloud-based Applications for Enabling a Scalable Riskinformed Predictive Maintenance Strategy

The current light-water reactor fleet uses time-based maintenance strategies to achieve high-capacity factors. But to make nuclear more competitive in the energy market, these reactors could utilize emerging artificial intelligence (AI) and cloud computing technologies to achieve a cost-effective, predictive-maintenance strategy. This paper presents discussion and results on the application of cloud computing in the nuclear industry. The technical viability of cloud computing was analyzed using data from a boiling-water reactor’s safety relief valve. The models were hosted on three different systems: a local personal computer, Idaho National Laboratory’s high-performance computer system, and Microsoft Azure. The data were loaded and processed, and two types of models were trained in an A/B fashion. Based on the speed at which these actions were completed, it was determined that cloud computing affords adequate computing resources. Additionally, the computing power can scale with the demanded load. To enable cloud computing in the existing fleet, additional sensors, networks, and other requirements must be implemented to ensure a smooth transition from current maintenance strategies. However, the benefit is that the plants no longer need to manage their own servers, software, cybersecurity, and information technology support staff for in-house data analytics purpose. Many of these features can be offloaded to the cloud provider for a potential cost savings. Demonstrating how AI can improve the maintenance and operation of non-safety-related systems seems the likely path forward for implementing AI and cloud computing resources inside nuclear power plants.

azure↗
DOE OSTI2015

A new event builder for CMS Run II

The data acquisition system (DAQ) of the CMS experiment at the CERN Large Hadron Collider (LHC) assembles events at a rate of 100 kHz, transporting event data at an aggregate throughput of 100 GB/s to the high-level trigger (HLT) farm. The DAQ system has been redesigned during the LHC shutdown in 2013/14. The new DAQ architecture is based on state-of-the-art network technologies for the event building. For the data concentration, 10/40 Gbps Ethernet technologies are used together with a reduced TCP/IP protocol implemented in FPGA for a reliable transport between custom electronics and commercial computing hardware. A 56 Gbps Inniband FDR CLOS network has been chosen for the event builder. This paper discusses the software design, protocols, and optimizations for exploiting the hardware capabilities. In conclusion, ee present performance measurements from small-scale prototypes and from the full-scale production system.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗