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An adaptive neural network for auto-associative memories operating in continuous time is considered. A new learning algorithm for the weight matrix defined by explicit locations of desirable equilibrium points is introduced. The approach is based upon the minimum 'strength energy' of the weight matrix for each prescribed performance of the neural network.
Motivation: Alignment of protein–protein interaction networks can be used for the unsupervised prediction of functional modules, such as protein complexes and signaling pathways, that are conserved across different species. To date, various algorithms have been proposed for biological network alignment, many of which attempt to incorporate topological similarity between the networks into the alignment process with the goal of constructing accurate and biologically meaningful alignments. Especially, random walk models have been shown to be effective for quantifying the global topological relatedness between nodes that belong to different networks by diffusing node-level similarity along the interaction edges. However, these schemes are not ideal for capturing the local topological similarity between nodes. Results: Here, we propose MONACO, a novel and versatile network alignment algorithm that finds highly accurate pairwise and multiple network alignments through the iterative optimal matching of ‘local’ neighborhoods around focal nodes. Extensive performance assessment based on real networks as well as synthetic networks, for which the ground truth is known, demonstrates that MONACO clearly and consistently outperforms all other state-of-the-art network alignment algorithms that we have tested, in terms of accuracy, coherence and topological quality of the aligned network regions. Furthermore, despite the sharply enhanced alignment accuracy, MONACO remains computationally efficient and it scales well with increasing size and number of networks.
Synthetically generated, large graph networks serve as useful proxies to real-world networks for many graph-based applications. The ability to generate such networks helps overcome several limitations of real-world networks regarding their number, availability, and access. Here, we present the design, implementation, and performance study of a novel network generator that can produce very large graph networks conforming to any desired degree distribution. The generator is designed and implemented for efficient execution on modern graphics processing units (GPUs). Given an array of desired vertex degrees and number of vertices for each desired degree, our algorithm generates the edges of a random graph that satisfies the input degree distribution. Multiple runtime variants are implemented and tested: 1) a uniform static work assignment using a fixed thread launch scheme, 2) a load-balanced static work assignment also with fixed thread launch but with cost-aware task-to-thread mapping, and 3) a dynamic scheme with multiple GPU kernels asynchronously launched from the CPU. The generation is tested on a range of popular networks such as Twitter and Facebook, representing different scales and skews in degree distributions. Results show that, using our algorithm on a single modern GPU (NVIDIA Volta V100), it is possible to generate large-scale graph networks at rates exceeding 50 billion edges per second for a 69 billion-edge network. GPU profiling confirms high utilization and low branching divergence of our implementation from small to large network sizes. For networks with scattered distributions, we provide a coarsening method that further increases the GPU-based generation speed by up to a factor of 4 on tested input networks with over 45 billion edges.
As lunar missions increase in complexity inspired by NASA’s Artemis Program, they will require reliable and sufficient capability of the Position, Navigation, and Timing (PNT) system to support their scientific objectives. In addition, NASA's Commercial Lunar Payload Services (CLPS) program initiates the proliferation of public and private exploration partnerships using small satellites from commercial and private organizations, expanding traditionally confined low Earth orbit to be used for missions beyond geosynchronous orbit (Zucherman et al., 2022). Therefore, the Lunar PNT system is also required to provide navigation services compatible with the smaller platforms being sent by the public and private sectors, like CubeSats. However, traditional approaches to deep space missions’ navigation based on ground radio facilities have difficulties in providing sufficient support for the increasing number of users and communication at a distance from the Earth (Kaplev et al., 2022). In particular, the existing Lunar navigation technologies such as weak signal global positioning system (GPS) and deep space network (DSN) are not able to ensure operations of the upcoming small-scale Lunar missions due to their limitations in localization performance as well as capacity aspects. Another way to provide Lunar PNT service is to create a dedicated Lunar global navigation satellite system (GNSS) constellation, like GNSS systems on Earth. Space agencies like NASA, ESA, and JAXA are now developing the lunar communications relay and navigation systems (LCRNS) and Lunar navigation satellite systems (LNSS). In their systems, satellites will be deployed in moon orbits to provide the communication, positioning, navigation, and timing (CPNT) service at the lunar south pole region where the Artemis base camp will be expected (Murata et al., 2022). Meanwhile, common challenges considered in lunar PNT research arise from poor geometry of the terrestrial GNSS satellites when seen from the lunar user, highly perturbed lunar orbits, and limitations in power, size, and cost of the equipment on lunar satellites (Iiyama et al., 2023). It is also not clear if there will be enough Lunar users to support the cost and resources this would require as the Low-cost surface missions may not be able to support the large power, mass, and weight requirements that these navigation solutions entail (Niemoeller et al., 2022). As an alternative, existing Lunar science and exploration assets could be used to create a low-cost, autonomous, ad-hoc, and on-demand mission-centric Lunar PNT swarm capable of providing PNT services to these low-cost lunar missions (Hagenau et al., 2021). Introducing the non-dedicated and ad-hoc Lunar navigation constellation gives a way to provide PNT services on-demand. The non-dedicated swarm assets of Lunar constellations are designed to localize themselves with minimal interaction with Earth by adding cooperative autonomous localization to lunar missions, freeing up valuable bandwidth and ground segment resources. An autonomous localization of Lunar constellations is based on the concept of the decentralized PNT system with a distributed extended Kalman filter (DEKF) approach to state estimation for minimal onboard operating costs. In the distributed data processing algorithm, computation is broken down and assigned to each satellite, resulting in a considerably decreased computational amount while maintaining the accuracy of the orbit ephemeris and clock offsets as the result of centralized data processing (Wen et al., 2019). The DEKF requires spacecraft to perform two-way ranging operations with each other to communicate simultaneously, leveraging neighbor two-way intersatellite link (ISL) measurements such as pseudoranges to, and relative velocities between, visible satellites as sensor values (Frank et al., 2021). The Lunar autonomous PNT simulation (LAPS) demonstrated the feasibility of orbital asset localization among ad-hoc Lunar small-sat constellations based on the DEKF in Hagenau et al. (2021) and evaluated the matching algorithm proposed by Frank et al. (2021) in scheduling position estimation updates. In previous papers, all assets and measurements are assumed to be always available without consideration of the impact of intermittent and permanent communication failure. This study presents localization performance with increasing levels of network degradation for swarm assets and users to demonstrate the robustness of the decentralized Lunar PNT service in more realistic scenarios. Main issues arising from communication failure include spacecraft permanent or transient loss, antenna failures, message delays, etc. We tested four possible reasons for network degradation for 7 days in 21 satellites frozen with an altitude of 5500 km, evenly spaced around 3 circular, 40 inclination orbital planes where each spacecraft has two directional antennas. As anchor nodes with an independent estimate of their position are required in the DEKF approach, two ground nodes in each pole and one node in the gateway were implemented in the simulation. First, the most probable failure scenario involves the loss of a single spacecraft due to solar interference and technical malfunctions of the assets. Losing the availability of a single spacecraft means losing the two-way ISL measurement of the asset in the DEKF update. In order to provide the best possible quality of PNT service with limited time and resources, the distributed Lunar constellations must schedule the communication activities. The scheduler leverages mixed-integer linear programming (MILP) for the coordination and scheduling of the desired “as-needed” localization service (Niemoeller et al., 2022). We assume the scheduler has completely excluded the spacecraft information before the DEKF update in the failure scenario. When a random spacecraft has been turned off at a specific time, the robustness of the autonomous Lunar PNT system is evaluated. The simulation results give an 11.5% degradation in median position accuracy compared to the idealized performance excluding the asset loss. Second, a large number of assets may vanish due to major hardware problems or meteor strikes around the moon. A multiple spacecraft loss can degrade the localization performance very fast by losing the communication ability to do cross-plane measurements and in-plane measurements in a 3-plane constellation. When the matching-based scheduler is aware of ISL availability, we investigate a large number of in-plane and cross-plane asset vanishments both in close proximity and equally spaced throughout the orbital plane. According to the simulations, the loss of in-plane measurements gives 40.2% degradation while cross-plane measurements degrade 50.5% of asset localization performance among available assets. Therefore, it is concluded that cross-plane measurements are more important in improving the position estimation accuracy. Third, spacecraft failure information can be lost due to the internal message delay, resulting in the DEKF update scheduler to solve the matching problem with unavailable assets. The DEKF update cycle is comprised of network setup, communication, and computations where a global broadcast network and a 2-way ISL network setup take 6 minutes in total (Frank et al., 2021). Once the broadcast network successfully transmits and receives information, a random spacecraft may lose its availability right before solving the matching problem. This means the matching solution is no longer optimal, resulting in degradation in the localization performance. A numerical assessment shows the matching-based scheduler with knowing failure holds 11.5% of position accuracy degradation, whereas the scheduler without knowing failure gives 34% degraded localization performance without asset loss. Fourth, a transient loss of a single or multiple spacecraft may occur due to their antenna outages. After losing the two-way ISL availability for a few DEKF update cycles, the availability of spacecraft can easily be recovered as their states have been independently updated using measurements from anchor nodes. It is likely that the longer failure will result in worse localization performance. We have tested the transient failure of a random single asset for 30 min in the simulation, which is losing 3 update cycles in the DEKF system. From the simulation results, the position accuracy has been degraded to 4.84% which is better than the degraded localization performance of 11.5% from the permanent loss scenario among available assets. In conclusion, the autonomous Lunar PNT system based on the DEKF approach shows the ability to maintain resilience and robustness in the possible communication failure scenarios, ensuring that localization accuracy is preserved across various network degradation and outages. Future studies on investigating user localization performance near the South Pole and the broadcast network system will be continued in the following months.
A common challenge in regression is that for many problems, the degrees of freedom required for a high-quality solution also allows for overfitting. Regularization is a class of strategies that seek to restrict the range of possible solutions so as to discourage overfitting while still enabling good solutions, and different regularization strategies impose different types of restrictions. In this paper, we present a multilevel regularization strategy that constructs and trains a hierarchy of neural networks, each of which has layers that are wider versions of the previous network's layers. Here, we draw intuition and techniques from the field of Algebraic Multigrid (AMG), traditionally used for solving linear and nonlinear systems of equations, and specifically adapt the Full Approximation Scheme (FAS) for nonlinear systems of equations to the problem of deep learning. Training through V-cycles then encourage the neural networks to build a hierarchical understanding of the problem. We refer to this approach as multilevel-in-width to distinguish from prior multilevel works which hierarchically alter the depth of neural networks. The resulting approach is a highly flexible framework that can be applied to a variety of layer types, which we demonstrate with both fully connected and convolutional layers. We experimentally show with PDE regression problems that our multilevel training approach is an effective regularizer, improving the generalize performance of the neural networks studied.
Code for the paper Learning Interpretable Models Through Multi-Objective Neural Architecture Search by Zachariah Carmichael, Tim Moon, and Sam Ade Jacobs. Monumental advances in deep learning have led to unprecedented achievements across a multitude of domains. While the performance of deep neural networks is indubitable, the architectural design and interpretability of such models are nontrivial. Research has been introduced to automate the design of neural network architectures through neural architecture search (NAS). Recent progress has made these methods more pragmatic by exploiting distributed computation and novel optimization algorithms. However, there is little work in optimizing architectures for interpretability. To this end, we propose a multiobjective distributed NAS framework that optimizes for both task performance and introspection. We leverage the non-dominated sorting genetic algorithm (NSGA-II) and explainable AI (XAI) techniques to reward architectures that can be better comprehended by humans. The framework is evaluated on several image classification datasets. We demonstrate that jointly optimizing for introspection ability and task error leads to more disentangled architectures that perform within tolerable error.
The High-rate Delay Tolerant Networking (HDTN) project at the NASA Glenn Research Center (GRC) is developing a performance-optimized Delay Tolerant Networking (DTN) implementation using the Bundle Protocol (BP) both for infusion in modern, distributed spacecraft systems and for foundational network research purposes. While one purpose of networking is to enable a returns-to-scale with communicating assets, it is recognized that neither the protocol nor its implementations may impose a bottleneck on data delivery if expected to be implemented. With this in mind, this paper explores the current status of the HDTN software, including its capabilities and also various performance metrics at the bundle layer, the convergence layers (e.g. performance-optimized Licklider Transmission Protocol, or LTP), and bundle storage and retrieval. This includes goals of software implementations that support multi-gigabit per second communications regardless of payload size. A discussion on the current software architecture and internal scheduling and routing is included. Interoperability with such extant DTN implementations as Interplanetary Overlay Network (ION) and DTN Marshall Enterprise Implementation (DTNME) are included. The research goals of the project are also listed, including Software-Defined Networking (SDN) and the theory of DTNs. A table-based filtration system for the Bundle Protocol (BP), called BP Filter, is also explored: this addition enables table-based policies within the context of a DTN for management purposes. Infusion begins with systems testing in the Johnson Space Center (JSC) Software Development and Integration Laboratory (SDIL), which supports International Space Station (ISS) Flight Software development, integration, and verification. Observations made from the results of testing in the SDIL and in flight testing are also discussed, pointing to a path for infusion into high data return low-earth orbit (LEO) missions. The paper concludes with areas for future work.
As Delay Tolerant Networking (DTN) matures as a software product its use cases have extended to infrastructural and architectural studies, bringing DTN closer to a widespread, operational technology. While it is known that a DTN can be configured, given complete information about a system of nodes, to provision a system with a complete network capability, what remains is to tackle practical considerations such as scalability, networking best practices, and how to establish service providers. In this paper, we document progress towards a scalable DTN architecture that was tested across multiple organizational and project boundaries; our approach was tested across nodes flying on the International Space Station (ISS) connected to a ground network. The network consists of four main network areas: the ISS, the White Sands Complex (WSC), the Mission Cloud Platform (MCP), and NASA’s Huntsville Operations Support Center (HOSC). The connections on the ground (WSC, MCP, and HOSC) are straightforward technically, but represent administrative and non-technical challenges that had to be overcome. The connection from the ISS to WSC was realized through a hybrid optical/RF means. In particular, NASA’s Integrated Laser Communications Relay Demonstration (LCRD) can form a relay from lowEarth-orbit (LEO) to the Earth, and was used in conjunction with the LCRD LEO User Modem and Amplifier Terminal (ILLUMA-T) on the ISS to form a link to one of three geographically diverse ground stations. A major goal was to achieve communications while keeping the ISS nodes unaware of ground station choices and scheduling. These disparate links were networked using High-rate DTN (HDTN), which enabled the desired architecture. The network architecture, tests, HDTN performance metrics, and general observations made are all discussed in detail, including a discussion on the successful utilization of the DTN security standard known as DTN Bundle Protocol Security (BPSec). We conclude with suggestions for next steps, and in particular focus on extending this architecture to the Near Space Network (NSN) and the upcoming LunaNet.
Temperature monitoring in extreme environments, such as coal-fired power plants, was addressed by designing and testing wireless patch antennas for use in machine learning-aided temperature estimation. The sensors were designed to monitor the temperature and health of boiler systems. Wireless interrogation of the sensor was performed using a Vector Network Analyzer (VNA) and a pair of interrogation antennas to capture resonance behavior under varying thermal and spatial conditions with sensitivities ranging from 0.052 to 0.20 $\frac{𝑀𝐻𝑧}{°C}$. Sensor calibration was conducted using a Long Short-Term Memory (LSTM) model, which leveraged temporal patterns to account for hysteresis effects. The calibration method demonstrated improved performance when combined with an LSTM model, achieving up to a 76% improvement in temperature estimation error when compared with Linear Regression (LR). The experiments highlighted an innovative solution for patch antenna-based non-contact temperature measurement, which addresses limitations with conventional methods such as RFID-based systems, infrared, and thermocouples.
Neuromorphic computing systems are attractive for real-time control at the edge because of their low power operation, real-time processing capabilities and their potential ability to do online learning. In this work, we describe an approach for performing real-time evolution of spiking neural networks for neuromorphic systems at the edge called Neuromorphic Optimization using Dynamic Evolutionary Systems or NODES. We apply this approach to real-time combustion engine control and develop an engine-specific hardware platform for NODES called FireBox. We demonstrate how the real-time evolution approach works in simulation and the performance of networks trained in simulation on the physical engine.
Deceptive news posts shared in online communities can be detected with NLP models, and much recent research has focused on the development of such models. In this work, we use characteristics of online communities and authors --- the context of how and where content is posted --- to explain the performance of a neural network deception detection model and identify sub-populations who are disproportionately affected by model accuracy or failure. We examine who is posting the content, and where the content is posted to. We find that while author characteristics are better predictors of deceptive content than community characteristics, both characteristics are strongly correlated with model performance. Traditional performance metrics such as F1 score may fail to capture poor model performance on isolated sub-populations such as specific authors, and as such, more nuanced evaluation of deception detection models is critical.
Accurate knowledge and understanding of data link traffic loads that will have an impact on the underlying communications infrastructure within the National Airspace System (NAS) is of paramount importance for planning, development and fielding of future airborne and ground-based communications systems. Attempting to better understand this impact, NASA Glenn Research Center (GRC), through its contractor Computer Networks & Software, Inc. (CNS, Inc.), has developed an emulation and test facility known as the Virtual Aircraft and Controller (VAC) to study data link interactions and the capacity of the NAS to support Controller Pilot Data Link Communications (CPDLC) traffic. The drawback of the current VAC test bed is that it does not allow the test personnel and researchers to present a real world RF environment to a complex airborne or ground system. Fortunately, the United States Air Force and Navy Avionics Test Commands, through its contractor ViaSat, Inc., have developed the Joint Communications Simulator (JCS) to provide communications band test and simulation capability for the RF spectrum through 18 GHz including Communications, Navigation, and Identification and Surveillance functions. In this paper, we are proposing the development of a new and robust test bed that will leverage on the existing NASA GRC's VAC and the Air Force and Navy Commands JCS systems capabilities and functionalities. The proposed NASA Glenn Research Center's Aeronautical Networks Research Simulator (ANRS) will combine current Air Traffic Control applications and physical RF stimulation into an integrated system capable of emulating data transmission behaviors including propagation delay, physical protocol delay, transmission failure and channel interference. The ANRS will provide a simulation/stimulation tool and test bed environment that allow the researcher to predict the performance of various aeronautical network protocol standards and their associated waveforms under varying density conditions. The system allows the user to define human-interactive and scripted aircraft and controller models of various standards, such as (but not limited to) Very High Frequency Digital Link (VDL) of various modes.
Advanced high-temperature fluid reactors (ARs), such as sodium fast reactors (SFRs) and molten salt cooled reactors (MSCRs) utilize high-temperature fluids at ambient pressure. To melt the fluid during reactor startup and prevent fluid freezing during cooldown, the thermal–hydraulic systems of such ARs include heater zones consisting of specific heaters with controllers, temperature sensors, and thermal insulation. The failure of heater zones due to insulation material degradation or improper installation, resulting in parasitic heat losses, can lead to fluid freezing. The detection of faults using a heat-transfer model is difficult because of a lack of knowledge of the experimental details. Data-driven machine learning of heater zone temperature time series offers a viable alternative. In this study, we benchmarked the performance of recurrent neural networks (RNNs) in an analysis of heat-up transient temperature time series of heater zones installed on a liquid sodium vessel. The RNN models include long short-term memory (LSTM) and gated recurrent unit (GRU) networks, as well as their bi-directional variants, BiLSTM and BiGRU. Anomalous temperature points were designated using a percentile-based threshold applied to residual fluctuations in the detrended temperature time series. Additionally, the impact of the exponentially weighted moving average (EWMA) method on detection accuracy was examined. The RNN models’ performance was assessed using precision, recall, and F 1 score metrics. Results demonstrated that RNN models effectively detect anomalies in temperature time series with the best models for each heater zone achieving F 1 scores of over 93%. To explain the variations in RNN model performance across different heater zones, we used Kullback–Leibler (KL) divergence to quantify the relative entropy between training and testing data, and the Detrended Fluctuation Analysis (DFA) to assess long-range temporal correlations. For datasets with strong long-range correlations and minimal relative entropy between training and testing data, GRU is the best-performing model. When the data exhibits weaker long-term correlations and a significant relative entropy between training and testing distributions, BiGRU shows the best performance. For the data sets with intermediate values of both KL divergence and DFA, the best performance is obtained with LSTM and BiLSTM, respectively.
SuperLab 2.0 (5-Lab Demo) is a collaborative, national-scale experiment showcasing the coordination of geographically distributed energy assets in real time. The demonstration integrates 25 physical and digital assets, spanning wind, PV, batteries, electrolyzers, DC fast chargers, microgrid controllers, building automation systems, small modular reactor (SMR), control centers, and gas turbines, across five DOE national laboratories-NLR, INL, NETL, LBNL, and SNL. These assets are unified using Energy Sciences Network (ESnet), a low-latency, high-performance U.S. Department of Energy's (DOE) network, and controlled via a centralized energy controller hosted at NLR's ARIES facility. The demonstration validates the ability to stress-test hybrid energy systems under dynamic scenarios to de-risk advanced control strategies for greater resilience and flexibility. SuperLab 2.0 (5-Lab Demo) showcased a major advancement in federated national laboratory collaboration, enabling real-time, cross-laboratory experimentation to coordinate geographically dispersed distributed energy resources (DERs) using various communication protocols and networks. SuperLab 2.0 (5-Lab Demo) built on previous demonstrations conducted between NLR-PNNL and NLR-INL connecting diverse assets including distant protection devices, a SMR simulator, and a high temperature electrolyzer (HTE). Previous demos were based on a single connection between two labs with minimal coordination challenges. The 5-Lab demo with a centralized controller, distributed testbeds across different geographical locations, and use of protocols-based communication represents a scenario closer to real-world grid operations that coordinate resources across a region to meet system needs. This experiment studied how local DER controllers interact with a centralized energy controller during normal and abnormal events to maintain reliability. The SuperLab team across the five labs implemented a notional power system model equivalent of transmission and distribution lines, represented by the data networks interconnecting the labs. Each lab continuously exchanged local parameters (such as P and Q) from its Hardware-In-Loop (CHIL) and Power Hardware-In-Loop (PHIL) assets through centralized energy controller at NLR, enabling real-time interaction and coordination across sites. By leveraging ESnet as the communication backbone, the team successfully operated the distributed assets as a unified power system, with each bus represented by a different laboratory. This setup mirrors how assets interact in real-world power systems across dispersed locations with various protocols and latencies. At each lab site, assets were operated using their own local controllers which were coordinated through an overarching operation and control layer of centralized energy controller, equivalent to how an energy management system (EMS) orchestrates assets across a regional or national grid. SuperLab's federated connectivity utilized a Digital Real-Time Simulators (DRTS)-type gateway to connect Controller Hardware-In-Loop (CHIL) and PHIL assets between labs. To enable this federated connection through ESnet, a deterministic network was established where latency variations were consistent. This consistency allowed the development of digital filters for the power system assets across CHIL and PHIL interfaces to avoid unstable and unreliable grid conditions. This report provides an overview of the cross-laboratory configuration and offers insights into interconnecting geographically distributed research assets to test them as if they were co-located. This experiment represents a step toward linking nine DOE national laboratories, enabling nation-wide simulations that can address utility-driven challenges with grid resilience, flexibility, and modernization.
The role of jet streams in the development of severe storms was analyzed. Local variations of flow resulting from rapid changes of geostrophic velocity along the air trajectory or inertial instability can produce cold advection. An analysis of meso-network data for 1968 and 1969 was performed. Although inertial instability was present in the network, local deviations in wind direction and cold advection were not detected.
Simulation based scientific applications generate increasingly large amounts of data on high-performance computing (HPC) systems. To allow data to be stored and analyzed efficiently, data compression is often utilized to reduce the volume and velocity of data. However, a question often raised by domain scientists is the level of compression that can be expected so that they can make more informed decisions, balancing between accuracy and performance. In this letter, we propose a deep neural network based approach for estimating the compressibility of scientific data. To train the neural network, we build both general features as well as compressor-specific features so that the characteristics of both data and lossy compressors are captured in training. Our approach is demonstrated to outperform a prior analytical model as well as a sampling based approach in the case of a biased estimation, i.e., for SZ. However, for the unbiased estimation (i.e., ZFP), the sampling based approach yields the best accuracy, despite the high overhead involved in sampling the target dataset.
The use of molten salts as coolants, fuels, and tritium breeding blankets in the next generation of fission and fusion nuclear reactors benefits from furthering the characterization of the molecular structure of molten halide salts, paving the way to predictive capability of the chemical and thermophysical properties of molten salts. Due to its neutronic, chemical, and thermochemical properties, 2 Li F - Be F 2 is a candidate molten salt for several fusion- and fission-reactor designs. We performed neutron and x-ray total-scattering measurements to determine the atomic structure of liquid 2 Li F - Be F 2 . We also performed and neural-network molecular-dynamics simulations to predict the structure obtained by neutron- and x-ray-diffraction experiments. The use of machine learning provides improvements to the efficiency in predicting the structure at a longer length scales than is achievable with simulations at significantly lower computational expense while retaining near accuracy. We found that the NNMD simulations accurately predicted the Be F 4 2 − oligomer formations seen in the experimental first-structure-factor peak. Our combination of high-resolution measurements with large-scale molecular dynamics provided an avenue to explore and experimentally verify the intermediate-range ordering beyond the first-nearest neighbor that has posed too many experimental and computational challenges in previous works. With a deeper understanding of the salt structure and ion ordering, the evolution of salt chemistry over the lifetime of a reactor can be better predicted, which is crucial to the licensing and operation of advanced fission and fusion reactors that employ molten salts. To this end, this work will serve as a reference for future studies of salt structure and macroscopic properties with and without the addition of solutes. Published by the American Physical Society 2024
Digital twins of networked infrastructures, known as Virtual Infrastructure Twins (VITs), are increasingly used for software development, pre-deployment testing, and design space exploration. While VITs avoid the costs and potential disruptions associated with experiments on operational networks, their throughput measurements are typically not sufficiently accurate for performance profiling of wide-area networks that they emulate. Here, machine learning (ML) methods are developed to transform these inaccurate VIT network throughput measurements to closely match in peak and overall profile of those from a physical testbed or production network. First, a micro kernel network reflecting a physical network is utilized to collect one-time measurements on a host to support this ML transformation. Then, a generic multi-modal ML method is developed to learn a map that transforms measurements from subsequent VITs on the same host to match past, current and follow-on testbed and cloud networks. ML generalization equations are derived to establish its correctness and probabilistically guarantee its generalization accuracy. Experimental results are presented for a variety of VIT hosts with target testbed and cloud networks; they include a case study of a four-site science ecosystem wherein inaccurate convex VIT measurement profiles are transformed into accurate concave profiles of target networks.