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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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Active learning of chemical reaction networks via probabilistic graphical models and Boolean reaction circuits

Discerning networks of many reactions among multiple interconverting species is challenging. Here, we present a reaction network identification methodology. Our methodology enumerates all stoichiometrically and chemically feasible reactions and requires statistical evidence from effluent concentrations for the inclusion or exclusion of each from the reaction network, contrasting with the commonly seen incremental approach and other work of relying heavily upon chemical intuition and assuming the reactions occurring. Using graph theory alongside an active learning design of experiments that propose maximally informative feeds, we identify the underlying reaction network with minimal laboratory runs. Here, we introduce chemistry-probabilistic graphical modeling and Boolean reaction circuits to statistically quantify which reactions occur from effluent concentrations. Our methodology accurately discerns active reactions, as showcased upon a laboratory network of cross-ketonization of furoic and lauric acid and validated upon simulated networks of thermal and CO 2 -assisted ethane dehydrogenation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Distribution of centrality measures on undirected random networks via the cavity method

The Katz centrality of a node in a complex network is a measure of the node’s importance as far as the flow of information across the network is concerned. For ensembles of locally tree-like undirected random graphs, this observable is a random variable. Its full probability distribution is of interest but difficult to handle analytically because of its “global” character and its definition in terms of a matrix inverse. Leveraging a fast Gaussian Belief Propagation-Cavity algorithm to solve linear systems on tree-like structures, we show that i) the Katz centrality of a single instance can be computed recursively in a very fast way, and ii) the probability P ( K ) that a random node in the ensemble of undirected random graphs has centrality K satisfies a set of recursive distributional equations, which can be analytically characterized and efficiently solved using a population dynamics algorithm. We test our solution on ensembles of Erdős-Rényi and Scale Free networks in the locally tree-like regime, with excellent agreement. The analytical distribution of centrality for the configuration model conditioned on the degree of each node can be employed as a benchmark to identify nodes of empirical networks with over- and underexpressed centrality relative to a null baseline. We also provide an approximate formula based on a rank- 1 projection that works well if the network is not too sparse, and we argue that an extension of our method could be efficiently extended to tackle analytical distributions of other centrality measures such as PageRank for directed networks in a transparent and user-friendly way.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Neural network–based pore flow field prediction in porous media using super resolution

Direct pore-scale simulations of fluid flow through porous media are computationally expensive to perform for realistic systems. Previous works have demonstrated using the geometry of the microstructure of porous media to predict the velocity fields therein based on neural networks. However, such trained neural networks do not perform well for unseen porous media with a large degree of heterogeneity. In this study we propose that incorporating a coarse velocity field in the input of neural networks is an effective way to improve the prediction performance. The coarse velocity field can be simulated with a low computational cost and provides global information to regularize the ill-posedness of the learning problem, which is usually caused by the use of local geometries due to the computational resource constraints. We show that incorporating the coarse-mesh velocity field significantly improves the prediction accuracy of the fine-mesh velocity field by comparison to the prediction that relies on geometric information alone, especially for the porous medium with a large interior vuggy pore space. We also show the flexibility of training the network in using coarse velocity fields with various resolutions. The results suggest that even using coarse velocity field with a very low resolution, the predictions are still enhanced and close to the ground truths. The feasibility of the method is further demonstrated by testing the trained network on real rocks. This study highlights the merits of incorporating a coarse-mesh velocity field into the input for neural networks, which provides global, physics-based information for the model, thereby improving the model's generalization capability.

42 ENGINEERING↗
DOE OSTI2021

Local rules for fabricating allosteric networks

Mechanical properties of disordered networks can be significantly tailored by modifying a small fraction of their bonds. This procedure has been used to design and build mechanical metamaterials with a variety of responses. A long-range “allosteric” response, where a localized input strain at one site gives rise to a localized output strain at a distant site, has been of particular interest. This work presents an approach to incorporating allosteric responses in experimental systems by pruning disordered networks in situ. Previous work has relied on computer simulations to design and predict the response of such systems using a cost function where the response of the entire network to each bond removal is used at each step to determine which bond to prune. It is not feasible to follow such a design protocol in experiments where one has access only to local response at each site. This paper presents design algorithms that allow determination of what bonds to prune based purely on the local forces in the network without employing a cost function; using only local information, allosteric networks are designed in simulations and then built out of real materials. The results show that some pruning strategies work better than others when translated into an experimental system. A method is presented to measure local stresses experimentally in disordered networks. This approach is then used to implement pruning methods to design desired responses in situ. Results from these experiments confirm that the pruning methods are robust and work in a real laboratory material.

36 MATERIALS SCIENCE↗
DOE OSTI2020

SHARP-Net: Platform for Self-Healing and Attack Resilient PMU Networks

Synchrophasor technology plays a pivotal role in developing the next generation of wide-area monitoring, protection, and control in the smart grid environment. As technology and communications infrastructures evolve, however, so do the attack surfaces in the synchrophasor network that can be exploited by advanced persistent threat (APT) actors to affect power system stability and reliability. In this paper, we propose a novel platform for developing a self-healing and attack-resilient PMU network (SHARP-Net) by instituting a state-of-the-art intrusion detection system (IDS) with an intrusion mitigation system (IMS) and an alert management system (AMS). In particular, the proposed platform detects anomalies during cyberattacks on phasor data concentrators (PDCs) based on the rules defined in the IDS, then the generated alerts are published to the IMS through the AMS. The proposed IMS proceeds to take automated corrective responses to mitigate cyberattacks by reconfiguring the synchrophasor network to isolate the compromised PDCs, and it orchestrates new PDCs to prevent the future propagation of attacks. Further, the IMS restores the system's observability by reconnecting the new PDCs to make the grid attack-resilient. In this work, the SHARP-Net platform is developed by using Python-based libraries, minimega's software-defined network, and virtual machine orchestration. We implement and validate the proposed SHARP-Net architecture by testing a PMU network in the smart grid environment. SHARP-Net showed promising performance in detecting cyberattacks and mitigating them through the network reconfiguration.

computer architecture↗
DOE OSTI2024

Losing Control of Your Linear Network? Try Resilience Theory

Resilience of cyber-physical networks to unexpected failures is a critical need widely recognized across domains. For instance, power grids, telecommunication networks, transportation infrastructures, and water treatment systems have all been subject to disruptive malfunctions and catastrophic cyberattacks. Following such adverse events, we investigate scenarios where a node of a linear network suffers a loss of control authority over some of its actuators. These actuators are not following the controller's commands and are instead producing undesirable outputs. The repercussions of such a loss of control can propagate and destabilize the whole network despite the malfunction occurring at a single node. To assess system vulnerability, we establish resilience conditions for networks with a subsystem enduring a loss of control authority over some of its actuators. Furthermore, we quantify the destabilizing impact on the overall network when such a malfunction perturbs a nonresilient subsystem. We illustrate our resilience conditions on two academic examples, on an islanded microgrid and on the linearized IEEE 39-bus system.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Adaptive Protection of Scientific Backbone Networks Using Machine Learning

In this article, we propose a new protection scheme for backbone networks to guarantee high service availability. The presented scheme does not require any reconfiguration immediately after the failure (i.e., it is proactive). At the same time, it does not require any reserved backup network resources either. To achieve these seemingly contradictory goals, we utilize the recent advancements in Machine Learning (ML) to implement a network intelligence that periodically re-allocates the unused capacity as protection bandwidth to meet the service availability requirements of each connection. Our goal is achieved by two components (1) predicting the traffic for the next period on each link, and (2) intelligently selecting the best fit dedicated protection scheme for the next period depending on the estimated unused (spare) bandwidth and the previous service availability violations. Note that re-allocating protection bandwidth affects neither the operational connections nor the current best practice of operators to over-provision network bandwidth to support elephant flows. Finally, we provide a case study on the real traffic from Energy Sciences Network (ESnet), a high-speed, international scientific backbone network. The key benefit of our framework is that adaptively utilizing the over-provisioned bandwidth for spare capacity is sufficient to improve the availability from three-nines to five-nines (in ESnet for the 30 examined connections). The drawback is negligible bandwidth limitations; the user perceives a minor and very temporal bandwidth limitation in less than 0.1% of the time.

42 ENGINEERING↗
DOE OSTI2020

Layer-Parallel Training of Deep Residual Neural Networks

Residual neural networks (ResNets) are a promising class of deep neural networks that have shown excellent performance for a number of learning tasks, e.g., image classification and recognition. Mathematically, ResNet architectures can be interpreted as forward Euler discretizations of a nonlinear initial value problem whose time-dependent control variables represent the weights of the neural network. Hence, training a ResNet can be cast as an optimal control problem of the associated dynamical system. For similar time-dependent optimal control problems arising in engineering applications, parallel-in-time methods have shown notable improvements in scalability. This paper demonstrates the use of those techniques for efficient and effective training of ResNets. The proposed algorithms replace the classical (sequential) forward and backward propagation through the network layers with a parallel nonlinear multigrid iteration applied to the layer domain. This adds a new dimension of parallelism across layers that is attractive when training very deep networks. From this basic idea, we derive multiple layer-parallel methods. The most efficient version employs a simultaneous optimization approach where updates to the network parameters are based on inexact gradient information in order to speed up the training process. Finally, using numerical examples from supervised classification, we demonstrate that the new approach achieves a training performance similar to that of traditional methods, but enables layer-parallelism and thus provides speedup over layer-serial methods through greater concurrency.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Towards Compact Neural Networks via End-to-End Training: A Bayesian Tensor Approach with Automatic Rank Determination

Post-training model compression can reduce the inference costs of deep neural networks, but uncompressed training still consumes enormous hardware resources and energy. To enable low-energy training on edge devices, it is highly desirable to directly train a compact neural network from scratch with a low memory cost. Low-rank tensor decomposition is an effective approach to reduce the memory and computing costs of large neural networks. However, directly training low-rank tensorized neural networks is a very challenging task because it is hard to determine a proper tensor rank a priori, and the tensor rank controls both model complexity and accuracy. Here, this paper presents a novel end-to-end framework for low-rank tensorized training. We first develop a Bayesian model that supports various low-rank tensor formats (e.g., CANDECOMP/PARAFAC, Tucker, tensor-train, and tensor-train matrix) and reduces neural network parameters with automatic rank determination during training. Then we develop a customized Bayesian solver to train large-scale tensorized neural networks. Our training methods shows orders-of-magnitude parameter reduction and little accuracy loss (or even better accuracy) in the experiments. On a very large deep learning recommendation system with over 4.2 ×10 9 model parameters, our method can reduce the parameter number to 1.6 ×10 5 automatically in the training process (i.e., by 2.6 ×10 4 times) while achieving almost the same accuracy. Code is available at https://github.com/colehawkins/bayesian-tensor-rank-determination.

compact neural networks↗
DOE OSTI2020

PETSc DMNetwork: A Library for Scalable Network PDE-Based Multiphysics Simulations

We present DMNetwork, a high-level package included in the PETSc library for the simulation of multiphysics phenomena over large-scale networked systems. The library aims at applications that have networked structures such as those in electrical, gas, and water distribution systems. DMNetwork provides data and topology management, parallelization for multiphysics systems over a network, and hierarchical and composable solvers to exploit the problem structure. DMNetwork eases the simulation development cycle by providing the necessary infrastructure through simple abstractions to define and query the network components. This article presents the design of DMNetwork, illustrates its user interface, and demonstrates its ability to solve multiphysics systems, such as an electric circuit, a network of power grid and water subnetworks, and transient hydraulic systems over large networks with more than 2 billion variables on extreme-scale computers using up to 30,000 processors.

extreme-scale computing↗
DOE OSTI2022

Quantification of neural networks uncertainties with applications to SAFARI-1 axial neutron flux profiles

Deep Neural Networks (DNNs) have been widely used as a data-driven modelling tool in nuclear engineering. However, as a Machine Learning model, Artificial Neural Network (ANN) predictions are subjected to uncertainties originating from the noise in training data, incomplete coverage of the domain, and imperfect neural network architectures. In this work, we target at quantifying the prediction/approximation uncertainties of ANNs using Monte Carlo Dropout (MCD), as well as Bayesian Neural Networks (BNNs) which are solved by variational inference. With a demonstration problem in which neural networks are used to predict the assembly axial neutron flux profiles, the results have shown that the three different neural network models (regular DNNs, DNNs solved with MCD and BNNs) can produce results that agree very well among each other and with the measurement data, on cycles that are not used in the training process. Besides the excellent generalization capability, the uncertainty bands produced by MCD and BNN agree very well, and in general, they can fully envelop the noisy measurement data points. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2022

Mitigate: An Adaptive Network Data Anonymization Tool Using Condensation-Based Differential Privacy

Modern network devices collect a large amount of data that can be analyzed to identify bottlenecks, anomalies, cyber-attacks, etc. Therefore, there is often a need to analyze such collections of network data quite often by an external expert or by the research community. However, these collections of data contain sensitive, proprietary information. In order for the network data to be shared, it must first be anonymized. The overall objective of this project is to develop an innovative privacy management tool to anonymize network data and achieve sufficient privacy, acceptable data utility, and efficient data analysis at the same time. No existing anonymization methods can achieve all of these at the same time. The core of this technology is a differential private clustering algorithm that provides strong privacy protection, preserves data properties important for subsequent analysis, and allows the party receiving the anonymized data to conduct analysis directly on anonymized data without the need of decryption or any extra processing. The research carried out was to design, implement and verify a solution to this problem by completing the following tasks: 1) developing the core technology; 2) developing a context based method that automatically recommends fields that must be anonymized; 3) conducted experiments showing superior results using our approach compared to existing tools, and 4) developed an intuitive but basic user interface. The research that was conducted generated novel algorithmic techniques that utilize state-of-the-art methods such as condensation, differential privacy preservation, clustering, automated tuning based on contextual awareness, and recommendation techniques to specify columns to users for anonymization leading to optimal privacy that allows research analysis on the dataset. Experiments were conducted to evaluate the efficacy of these novel algorithmic techniques by performing analysis on original non-anonymized datasets, then conducting analysis on the same yet anonymized datasets and comparing the results of the analyses. Overall, the anonymized analysis results were within 1% of the original results, verifying that the generated technology not only guarantees a high level of privacy but also enables research analysis as if it were conducted on the original dataset. Potential applications of this technology include anonymization of any type of structured network datasets that contain sensitive identifiers, such as IP addresses, that can be used in multiple applications. For example, to create an AI or machine learning model for cyber security, e.g., to detect attacks, or for performance analysis, e.g., identify bottlenecks or predict performance. In addition, a market analysis that was conducted for potential applications of this technology identified a broader range of applications of our anonymization technology beyond the network sector that includes healthcare, banking, insurance, securities, finance (FISB), data brokering, cloud services, ad sales, and government.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Comparative Analysis of HEATNETS for Geothermal Network Performance

Thermal energy networks (TENs), also known as 5th generation district energy systems, or more specifically geothermal networks when exchanging heat with geothermal boreholes, are an important technology for decarbonization. In these networks an ambient loop connects buildings and thermal sources, such as a borehole field, to exchange energy and maintain a desired loop temperature. Water-source heat pumps are used at the buildings to connect to the ambient or thermal loop to meet to the building heating and cooling loads and maintain comfort. A semi-transient, reduced-order technical model and techno-economic model, called HEATNETS, has been developed at NREL that captures the flow of energy around a TEN. In this work, a comparison of the HEATNETS technical model and a well-known coding platform used for modeling geothermal networks, TRNSYS, has been completed for a proposed geothermal network as a verification and validation process. Hourly data provided from the TRNSYS simulation included building loads, pumping power, heat pump power, temperature entering and leaving the borehole field, and mass flow rates. The hourly borehole temperatures were used to create a linear regression model utilized in HEATNETS to estimate the borehole field heat exchange. The building loads and mass flow rates were direct inputs to HEATNETS while the pumping power, heat pump power, borehole temperatures, and coefficients of performance were all simulated and calculated by HEATNETS, allowing for direct comparison of the thermal energy transfer HEATNETS considers the full process from design inputs to economic outputs and can provide modeling options for high-level initial system design and operational optimization. This study focuses on a validation of HEATNETS using results from TRNSYS. HEATNETS is not intended to replace other modeling tools, but this work demonstrates, via a comparison with an industry standard code, that HEATNETS can be a unique, high-level and rapid modeling tool for estimating the performance of a full geothermal network system.

15 GEOTHERMAL ENERGY↗
DOE OSTI2022

ExaTN: Scalable GPU-Accelerated High-Performance Processing of General Tensor Networks at Exascale

We present ExaTN (Exascale Tensor Networks), a scalable GPU-accelerated C++ library which can express and process tensor networks on shared- as well as distributed-memory high-performance computing platforms, including those equipped with GPU accelerators. Specifically, ExaTN provides the ability to build, transform, and numerically evaluate tensor networks with arbitrary graph structures and complexity. It also provides algorithmic primitives for the optimization of tensor factors inside a given tensor network in order to find an extremum of a chosen tensor network functional, which is one of the key numerical procedures in quantum many-body theory and quantum-inspired machine learning. Numerical primitives exposed by ExaTN provide the foundation for composing rather complex tensor network algorithms. We enumerate multiple application domains which can benefit from the capabilities of our library, including condensed matter physics, quantum chemistry, quantum circuit simulations, as well as quantum and classical machine learning, for some of which we provide preliminary demonstrations and performance benchmarks just to emphasize a broad utility of our library.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Spatiotemporal analysis of 3D human iPSC-derived neural networks using a 3D multi-electrode array

While there is a growing appreciation of three-dimensional (3D) neural tissues (i.e., hydrogel-based, organoids, and spheroids), shown to improve cellular health and network activity to mirror brain-like activity in vivo , functional assessment using current electrophysiology techniques (e.g., planar multi-electrode arrays or patch clamp) has been technically challenging and limited to surface measurements at the bottom or top of the 3D tissue. As next-generation MEAs, specifically 3D MEAs, are being developed to increase the spatial precision across all three dimensions (X, Y, Z), development of improved computational analytical tools to discern region-specific changes within the Z dimension of the 3D tissue is needed. In the present study, we introduce a novel computational analytical pipeline to analyze 3D neural network activity recorded from a “bottom-up” 3D MEA integrated with a 3D hydrogel-based tissue containing human iPSC-derived neurons and primary astrocytes. Over a period of ~6.5 weeks, we describe the development and maturation of 3D neural activity (i.e., features of spiking and bursting activity) within cross sections of the 3D tissue, based on the vertical position of the electrode on the 3D MEA probe, in addition to network activity (identified using synchrony analysis) within and between cross sections. Then, using the sequential addition of postsynaptic receptor antagonists, bicuculline (BIC), 2-amino-5-phosphonovaleric acid (AP-5), and 6-cyano-5-nitroquinoxaline-2,3-dione (CNQX), we demonstrate that networks within and between cross sections of the 3D hydrogel-based tissue show a preference for GABA and/or glutamate synaptic transmission, suggesting differences in the network composition throughout the neural tissue. The ability to monitor the functional dynamics of the entire 3D reconstructed neural tissue is a critical bottleneck; here we demonstrate a computational pipeline that can be implemented in studies to better interpret network activity within an engineered 3D neural tissue and have a better understanding of the modeled organ tissue.

3D culture↗
DOE OSTI2021

Sensitivity-Informed Bayesian Inference for Home PLC Network Models with Unknown Parameters

Bayesian inference is used to calibrate a bottom-up home PLC network model with unknown loads and wires at frequencies up to 30 MHz. A network topology with over 50 parameters is calibrated using global sensitivity analysis and transitional Markov Chain Monte Carlo (TMCMC). The sensitivity-informed Bayesian inference computes Sobol indices for each network parameter and applies TMCMC to calibrate the most sensitive parameters for a given network topology. A greedy random search with TMCMC is used to refine the discrete random variables of the network. This results in a model that can accurately compute the transfer function despite noisy training data and a high dimensional parameter space. The model is able to infer some parameters of the network used to produce the training data, and accurately computes the transfer function under extrapolative scenarios.

42 ENGINEERING↗
DOE OSTI2022

Fractal Characterization of Multimodal, Multiscale Images of Shale Rock Fracture Networks

An array of multimodal and multiscale images of fractured shale rock samples and analogs was collected with the aim of improving the numerical representation of fracture networks. 2D and 3D reconstructions of fractures and matrices span from 10 –6 to 100 m. The origin of the fracture networks ranged from natural to thermal maturation to hydraulically induced maturation. Images were segmented to improve fracture identification. Then, the fractal dimension and length distribution of the fracture networks were calculated for each image dataset. The resulting network connectivity and scaling associations are discussed at length on the basis of scale, sample and order of magnitude. Fracture network origin plays an important role in the resulting fracture systems and their scaling. Rock analogs are also evaluated using these descriptive tools and are found to be faithful depictions of maturation-induced fracture networks.

58 GEOSCIENCES↗
DOE OSTI2023

Assignment of Freight Traffic in a Large-scale Intermodal Network under Uncertainty

This paper presents a methodology for freight traffic assignment in a large-scale road-rail intermodal network under uncertainty. Network uncertainties caused by natural disasters have dramatically increased in recent years. Several of these disasters (e.g., Hurricane Sandy, Mississippi River Flooding, and Hurricane Harvey) severely disrupted the U.S. freight transportation network, and consequently, the supply chain. To account for these network uncertainties, a stochastic freight traffic assignment model is formulated. An algorithmic framework, involving the sample average approximation and gradient projection algorithm, is proposed to solve this challenging problem. The developed methodology is tested on the U.S. intermodal network with freight flow data from the Freight Analysis Framework. The experiments consider three types of natural disasters that have different risks and impacts on transportation networks: earthquakes, hurricanes, and floods. It is found that for all disaster scenarios, freight ton-miles are higher compared to the base case without uncertainty. The increase in freight ton-miles is the highest under the flooding scenario; this is because there are more states in the flood-risk areas, and they are scattered throughout the U.S.

42 ENGINEERING↗