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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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DOE OSTI2023

Basic Research Needs in Quantum Computing and Networking

Employing quantum mechanical resources in computing, information processing, and networking opens the door to potential exponential advantages over classical counterparts. However, quantifying and realizing such advantages poses extensive scientific and engineering challenges. Department of Energy (DOE) investments have driven steady progress in addressing such challenges. Recently developed quantum algorithms offer asymptotic exponential advantages in speed or accuracy for fundamental scientific problems. These problems include simulating physical systems, solving systems of linear equations, differential equations, and optimization problems. Empirical demonstrations on nascent quantum hardware suggest better performance on contrived computational tasks than classical analogs. However, the requirements for a quantum computer or network to demonstrate an end-to-end rigorously quantifiable performance improvement over classical analogs remains a grand challenge, especially for problems of practical value. In particular, what will be required for quantum technology to ultimately exhibit scalable, rigorous, and transformative performance advantages for practical applications? In July 2023, DOE’s Advanced Scientific Computing Research program in the Office of Science convened the Workshop on Basic Research Needs in Quantum Computing and Networking, where major opportunities and grand challenges were identified. The following five priority research directions (PRDs) were identified as a result of the workshop.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Report for the ASCR Workshop on Basic Research Needs in Quantum Computing and Networking - 2023

Employing quantum mechanical resources in computing and networking opens the door to new computation and communication models and potential disruptive advantages over classical counterparts. However, quantifying and realizing such advantages face extensive scientific and engineering challenges. Investments by the Department of Energy (DOE) have driven progress toward addressing such challenges. Quantum algorithms have been recently developed, in some cases offering asymptotic exponential advantages in speed or accuracy, for fundamental scientific problems such as simulating physical systems, solving systems of linear equations, or solving differential equations. Empirical demonstrations on nascent quantum hardware suggest better performance than classical analogs on specialized computational tasks favorable to the quantum computing systems. However, demonstration of an end-to-end, substantial and rigorously quantifiable quantum performance advantage over classical analogs remains a grand challenge, especially for problems of practical value. The definition of requirements for quantum technologies to exhibit scalable, rigorous, and transformative performance advantages for practical applications also remains an outstanding open question, namely, what will be required to ultimately demonstrate practical quantum advantage?

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Report for the ASCR Workshop on Basic Research Needs in Quantum Computing and Networking - 2023

Employing quantum mechanical resources in computing and networking opens the door to new computation and communication models and potential disruptive advantages over classical counterparts. However, quantifying and realizing such advantages face extensive scientific and engineering challenges. Investments by the Department of Energy (DOE) have driven progress toward addressing such challenges. Quantum algorithms have been recently developed, in some cases offering asymptotic exponential advantages in speed or accuracy, for fundamental scientific problems such as simulating physical systems, solving systems of linear equations, or solving differential equations. Empirical demonstrations on nascent quantum hardware suggest better performance than classical analogs on specialized computational tasks favorable to the quantum computing systems. However, demonstration of an end-to-end, substantial and rigorously quantifiable quantum performance advantage over classical analogs remains a grand challenge, especially for problems of practical value. The definition of requirements for quantum technologies to exhibit scalable, rigorous, and transformative performance advantages for practical applications also remains an outstanding open question, namely, what will be required to ultimately demonstrate practical quantum advantage?

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Threat emulation framework

A method for emulating threats in virtual network computing environment is provided. The method comprises creating a number of virtual machines in the virtual network computing environment. A number of threat actors are emulated, wherein each threat actor comprises a number of threat artifacts that form a sequence of attack steps against the virtual network computing environment. The threat actors are then deployed against the virtual network computing environment. Behavioral data about actions of the threat actors in the virtual network computing environment is collected, as is performance data about the virtual network computing environment in response to the threat actors. The collected behavioral and performance data is then presented to a user via an interface.

Urias, Vincent↗
DOE OSTI2018

Fibre Channel Development Final Report CRADA No. TC-0340-92-D

The Fibre Channel (FC) Development project was designed to enhance U.S. industrial competitiveness by accelerating the standardization and subsequent industrial acceptance of the American National Standards Institute’s (AIW) Fibre Channel Standard (now X3T1 1). It was also intended to give the principal U.S. participants a one- to two-year lead in developing heterogeneous high-speed computer networks, dktibuted computing through clustering, scientific visualization techniques, and high speed channels. The project was proposed to benefit U.S. industry as these high performance computing methods became generally available. In 1992-93, during the initial project phases, Fibre Channel PC) was emerging as a new ANSI standard. It was envisioned as becoming the mechanism for data transfer between the next generation of computers, and between these computers and their peripherals. Using this channel standard, U.S. computer vendors were expecting to be able to provide high-speed interoperability between heterogeneous computers and their storage devices, with data transfer rates greater than a GBit/sec. Our project was composed of key principal players in the FC standardization effort from both U.S. industry and the Department of Energy’s (DOES) Lawrence Liverrnore National Laboratory (LLNL). The industial participants were developing individual FC interfaces to operate with their platform products. LLNL’s role was to be a neutral testing site and a facilitator for helping to resolve conflicting interpretations of the embryonic Fibre Channel specification. LLNL anticipated that conflicts in the interpretation of such a standard would arise and require neutral resolution and that such resolutions would best be achieved in cooperation with the ANSI FC Working Group. Project plans included transferring to U.S. industry any resilient FC testing capabilities at the project conclusion.

42 ENGINEERING↗
DOE OSTI2018

Fibre Channel Development Final Report CRADA No. TC-0340-92-C

The Fibre Channel (FC) Development project was designed to enhance U.S. industrial competitiveness by accelerating the standardization and subsequent industrial acceptance of the American National Standards Institute’s (ANSI) Fibre Channel Standard (now X3T1 1). It was also intended to give the principal U.S. participants a one-to two-year lead in developing heterogeneous high-speed computer networks, distributed computing through clustering, scientific visualization techniques, and high speed channels. The project was proposed to benefit U.S. industry as these high performance computing methods became generally available. In 1992-93, during the initial project phases, Fibre Channel (FC) was emerging as a new ANSI standard. It was envisioned as becoming the mechanism for data transfer between the next generation of computers, and between these computers and their peripherals. Using this channel standard, U.S. computer vendors were expecting to be able to provide high-speed interoperatillity between heterogeneous computers and their storage devices, with data transfer rates greater than a GBit/sec. Our project was composed of key principal players in the FC standardization effort from both U.S. industry and the Department of Energy’s@OEs) Lawrence Liverrnore National Laboratory (LLNL). The industrial participants were developing individual FC interfaces to operate with their platform products. LLNL’s.role was to be a neutral testing site and a facilitator for helping to resolve conflicting interpretations of the embryonic Fibre Channel specification. LLNL anticipated that conflicts in the interpretation of such a standard would arise and require neutral resolution and that such resolutions would best be achieved in cooperation with the ANSI FC Working Group. Project plans included transferring to U.S. industry any resilient FC testing capabilities at the project conclusion.

42 ENGINEERING↗
DOE OSTI2023

Position Papers for the ASCR Workshop on Basic Research Needs in Quantum Computing and Networking

We invite community input in the form of two-page position papers that identify and discuss key challenges and opportunities in quantum computing and networking. In addition to providing an avenue for identifying workshop participants, these position papers will be used to shape the workshop agenda, identify panelists, and contribute to the workshop report. Position papers should not describe the authors’ current or planned research, contain material that should not be disclosed to the public, nor should they recommend specific solutions or discuss narrowly focused research topics. Rather, they should aim to improve the community’s shared understanding of the problem space, identify challenging research directions, and help to stimulate discussion.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Design-to-Deployment Continuum Platform for Microscopes and Computing Ecosystems

Science ecosystems with networked computing systems and physical instruments are increasingly being deployed with a goal to achieve the productivity promised by AI-supported remote automation. In support of these efforts, the virtual infrastructure twins (VITs) have been successfully utilized to develop the orchestration codes for these ecosystems without requiring physical access to expensive instruments, such as electron microscopes. Currently, the utility of such a VIT is severely limited by the computing capacity and capability of the computing system used as its host. Furthermore, codes developed on the VIT typically need to be transferred and refactored for production use, particularly, on high-performance systems with accelerators. In response, we develop a design-to-deployment continuum platform wherein a VIT runs natively on the ecosystem's own computing system, and thereby facilitates the continual in-situ testing and transition of codes for production use. Here, we describe the development and testing of software for remote microscope steering and GPU-based image reconstruction using this platform on a multi-GPU computing system networked to Nion microscopes. We demonstrate a continual transition of steering and reconstruction codes developed under VIT platform to production ecosystem deployment.

Al-Najjar, Anees [Oak Ridge National Laboratory (O↗
DOE OSTI2019

Method for securing a network using cyber economic network transaction security (CENTS)

A method and system for administering an interactive computer network and more particularly to performing security in a network of interactive electronic components, such as a computer network using a currency-based transactional economy model where scarcity serves as a limiting factor to accessing and engaging in various activities within the system.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Adaptive time scaling for accelerating explicit finite element analysis

A method for accelerating an explicit finite element analysis (FEA) simulation of a modeled system or process includes performing an initial iteration of the FEA simulation according to a baseline time interval via an FEA computing network, and calculating a criteria ratio of a predetermined set of scaling criteria for the modeled system or process. The method includes determining a time-scaling factor using the criteria ratio via the FEA computing network as a function of the criteria ratio, and then applying the time-scaling factor to the baseline time interval to generate a scaled time interval. The scaled time interval accelerates simulation time of the FEA simulation. The method includes performing a subsequent iteration of the explicit FEA simulation at the scaled time interval using the FEA computing network. The process continues for subsequent iterations, with the time-scaling factor adapting with each iteration.

Chen, Jian↗
DOE OSTI2022

Physics Informed Neural Networks as Computational Physics Emulators

This report is a brief overview and evaluation of Physics Informed Neural Networks (PINNs). Karniadakis and co-workers, e.g., Karniadakis et al. (2021) assert that the PINNs approach integrates seamlessly both data and mathematical physics models, even in partially understood, uncertain and high-dimensional contexts. They further claim that PINNs are effective and efficient for ill-posed and inverse problems, and when combined with domain decomposition, are scalable to large problems and a tool to discover hidden physics. While they demonstrate the capabilities in specific academic instances, their overarching claims about PINNs seem to be an overstatement, at least at the current time. We have briefly considered a few of the limitations of PINNs in this investigation. It is not clear to us if the PINNs approach can ever be competitive with approaches that use specialized algorithms to achieve high-accuracy solutions of governing equations and other techniques that can combine observational data with such solutions. As an example of the latter, consistent with the principles of Bayesian inference, data assimilation, or more generally data-model fusion, is a process that fuses observational data typically with a computational model that respects certain constraints such as conservation laws. For example, improvements in observational network combined with data assimilation have been key in improving weather predictions over the past four decades Kalnay (2003).

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Self-Supervised and Interpretable Anomaly Detection Using Network Transformers

Machine learning and deep neural networks (DNNs) have been proposed as a tool to identify anomalies in computer network communications. However, due the obfuscated nature of off-the-shelf machine learning models, their output often does not provide enough information to isolate the source of the anomaly to take corrective measures. In this article, we introduce the network transformer (NeT), a DNN model for anomaly detection that incorporates the graph structure of the communication network in order to improve interpretability. Further, the presented approach has the following advantages: first, enhanced interpretability by incorporating the graph structure of computer networks; second, provides a hierarchical set of features that enables analysis at different levels of granularity; second, self-supervised training that does not require labeled data. The NeT model was evaluated on a set of anomalous scenarios executed in a real industrial control system. The presented approach successfully identified the anomalies, the devices affected, and the specific connections causing the anomalies, providing a data-driven hierarchical approach to analyze the behavior of a cyber network.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Biomimetic, Soft-Material Synapse for Neuromorphic Computing: from Device to Network

Neuromorphic computing refers to a variety of brain-inspired computers, devices, and models inspired by the interconnectivity, performance, and energy efficiency of the human brain. Unlike the ubiquitous von Neumann computer architectures with complex processor cores and sequential computation, biological neurons and synapses operate by storing and processing information simultaneously with the capacity of flexible adaptation resulting in massive computational capability with much less power consumption. The search for a synaptic material which can closely imitate bio-synapse has led to an alamethicin-doped, synthetic biomembrane which can emulate key synaptic functions due to generic memristive property enabling learning and computation. This two-terminal, biomolecular memristor, in contrast to its solid-state counterparts, features similar structure, switching mechanism, and ionic transport modality as biological synapses while consuming considerably lower power. In this paper, we outline a methodology for using this biomolecular synapse to build neural networks capable of solving real-world problems. The physical mechanism underlying its volatile memristance is explored followed by the development of a model of this device for circuit simulation. We outline a circuit design technique to integrate this synapse with solid-state neuron circuit for hardware implementation. Based on these results, we develop a high level simulation framework and use a training scheme called Evolutionary Optimization for Neuromorphic System (EONS) to generate networks for solving two problems, namely iris dataset classification and EEG classification task. The small network size and comparable to state-of-the-art accuracy of these preliminary networks show its potential to enhance synaptic functionality in next generation neuromorphic hardware.

Sakib hasan, Md↗
DOE OSTI2018

Collective network for computer structures

A system and method for enabling high-speed, low-latency global collective communications among interconnected processing nodes. The global collective network optimally enables collective reduction operations to be performed during parallel algorithm operations executing in a computer structure having a plurality of the interconnected processing nodes. Router devices are included that interconnect the nodes of the network via links to facilitate performance of low-latency global processing operations at nodes of the virtual network and class structures. The global collective network may be configured to provide global barrier and interrupt functionality in asynchronous or synchronized manner. When implemented in a massively-parallel supercomputing structure, the global collective network is physically and logically partitionable according to needs of a processing algorithm.

Blumrich, Matthias A.↗
DOE OSTI2025

Scalable edge clustering of dynamic graphs via weighted line graphs

Timestamped relational datasets consisting of records (or connections) between pairs of entities are ubiquitous in network science. For applications like peer-to-peer communication, email, various social network interactions, and computer network security, it is useful to organize these records into groups based on how and when they are occurring. Weighted line graphs offer a natural way to model how records are related in such datasets but for large real-world graph topologies, building and utilizing the line graph is prohibitively expensive. Here, we present the framework to cluster the edges of a dynamic graph via the associated line graph that contains two major contributions. The first is a method to work with the line graph implicitly and the second is a distributed scale implementation of an agglomerative hierarchical graph clustering algorithm. We outline a novel hierarchical dynamic graph edge clustering approach that efficiently breaks massive relational datasets into small sets of edges containing events at various timescales. This is in stark contrast to traditional graph clustering algorithms that prioritize highly connected (clique-like) community structures. Our approach relies on constructing a sufficient subgraph of a weighted line graph and applying a hierarchical agglomerative clustering. This approach is related to scalable techniques from spatial clustering, nonlinear-dimension reduction, topological data analysis, and draws particular inspiration from HDBSCAN. As an edge clustering, this method yields an overlapping node clustering. Our algorithm is parallelizable and we demonstrate efficient clustering of a billion-scale, real-world dynamic graph into small edge sets that correlate in topology and time. The entire clustering process for a graph with tens of billions of edges takes just a few minutes of run time on 256 nodes of a distributed compute environment. We argue how the output of the edge clustering is useful for a multitude of data visualization and powerful machine learning tasks, both involving the original massive dynamic graph data and metadata associated with the nodes and edges. Finally, we describe how this approach can be extended to dynamic hypergraphs and dynamic graphs/hypergraphs with unstructured data living on vertices and edges.

Data Analysis↗
DOE OSTI2023

Comparison of machine learning systems trained to detect Alfvén eigenmodes using the CO 2 interferometer on DIII-D

Abstract A Machine-Learning (ML) based detection scheme that automatically detects Alfvén Eigenmodes (AE) in a labelled DIII-D database is presented here. Controlling AEs is important for the success of planned burning plasma devices such as ITER, since resonant fast ions can drive AEs unstable and degrade the performance of the plasma or damage the first walls of the machine vessel. Artificial Intelligence could be useful for real-time detection and control of AEs in steady-state plasma scenarios by implementing ML-based models into control algorithms that drive actuators for mitigation of AE impacts. Thus, the objective is to compare differences in performance between using two different recurrent neural network systems (Reservoir Computing Network and Long Short Term Memory Network) and two different representations of the C O 2 phase data (simple and crosspower spectrograms). All C O 2 interferometer chords are used to train both models, but only one is processed during each training step. The results from the model and data comparison show higher performance for the RCN model (True Positive Rate = 90% and False Positive Rate = 14%), and that using simple magnitude spectrograms is sufficient to detect AEs. Also, the vertical C O 2 interferometer chord passing near the center is better for ML-based detection of AEs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

A comparison of Gaussian processes and neural networks for computer model emulation and calibration

The Department of Energy relies on complex physics simulations for prediction in domains like cosmology, nuclear theory, and materials science. These simulations are often extremely computationally intensive, with some requiring days or weeks for a single simulation. In order to assure their accuracy, these models are calibrated against observational data in order to estimate inputs and systematic biases. Because of their great computational complexity, this process typically requires the construction of an emulator, a fast approximation to the simulation. In this paper, two emulator approaches are compared: Gaussian process regression and neural networks. Their emulation accuracy and calibration performance on three real problems of Department of Energy interest is considered. On these problems, the Gaussian process emulator tends to be more accurate with narrower, but still well-calibrated uncertainty estimates. The neural network emulator is accurate, but tends to have large uncertainty on its predictions. Finally, as a result, calibration with the Gaussian process emulator produces more constrained posteriors that still perform well in prediction.

97 MATHEMATICS AND COMPUTING↗