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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 1,765 records · Page 98

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DOE OSTI2023

Multiverse: Bayesian model selection for neural networks

Multiverse is a code repository for a set of tools for Bayesian model selection for neural networks. The goal of the tools is to provide capabilities for selecting among prior and model specifications for Bayesian neural networks. Multiverse will include tools for creating Bayesian neural networks, evaluating the Bayesian model evidence, and performing inference in Bayesian neural networks. These components are written in Python, a high-level programming language that takes advantage of the Python ecosystem of high-quality open-source packages for machine learning and signal processing.

Klein, Natalie↗

DOE OSTI2023

Graph Neural Networks and Applied Linear Algebra v.1.0

SAND2024-01365O The Graph Neural Networks and Applied Linear Algebra is companion software for the educational article with the same title. The software provides illustrative examples of graph neural networks in Matlab and Python. These stand-alone algorithms are for educational purposes. The software also includes graph neural network-based algorithms for a trainable Jacobi iteration as well as diffusion coefficient estimation. The software provides human-interpretable implementations of Graph Neural Networks in Matlab and Python. These implementations are not optimized for performance and instead emphasize readability. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

SciDAC↗

DOE OSTI2024

Tight Practical Bounds for Subgraph Densities in Ego-centric Networks

SAND2025-11782O Tight Practical Bounds for Subgraph Densities in Ego-centric Networks is a software tool for calculating the “subgraph spread ratio” for social network analysis. This value is useful in network analysis for determining the amount of exogenous and endogenous pressure on a graph. It can distinguish between networks coming from different sources, e.g. distinguishing a graph of Facebook data versus a graph of Wikipedia data. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Mattes, Connor↗

DOE OSTI2016

The Amazon Dense GNSS Meteorological Network: A New Approach for Examining Water Vapor and Deep Convection Interactions in the Tropics

The Amazon Dense Global Navigational Satellite System (GNSS) Meteorological Network ((ADGMN) provides high spatiotemporal resolution, all-weather precipitable water vapor for studying the evolution of continental tropical and sea-breeze convective regimes of Amazonia. The ADGMN campaign consisted of two experiments: a 6-week campaign in and around Belem, which coincided with the Cloud Processes of the Main Precipitation Systems in Brazil: A Contribution to Cloud-Resolving Modeling and to the Global Precipitation Measurement (CHUVA) and a 1-yr campaign in and around Manaus. The Belem network was composed of 15 GNSS/meteorological stations that provided high-frequency (5 min) PWV data as well as surface meteorological variables For the 6-week duration of the Belem experiment, days were categorized as convective (22 days) or nonconvective (19 days) based solely on a minimum cloud-top temperature of 240 K or below over the central portion of the network and a report of precipitation at at least one site during the afternoon or evening. Here, the Manaus network commenced in April 2011 with 12 GNSS meteorological stations. Local circulations in Manaus driven by anthropogenic deforestation have, in particular, received attention.

58 GEOSCIENCES↗

DOE OSTI2016

Confronting Weather and Climate Models with Observational Data from Soil Moisture Networks over the United States

Four land surface models in uncoupled and coupled configurations are compared to observations of daily soil moisture from 19 networks in the conterminous United States to determine the viability of such comparisons and explore the characteristics of model and observational data. First, observations are analyzed for error characteristics and representation of spatial and temporal variability. Some networks have multiple stations within an area comparable to model grid boxes; for those it is found that aggregation of stations before calculation of statistics has little effect on estimates of variance, but soil moisture memory is sensitive to aggregation. Statistics for some networks stand out as unlike those of their neighbors, likely because of differences in instrumentation, calibration, and maintenance. Buried sensors appear to have less random error than near-field remote sensing techniques, and heat-dissipation sensors show less temporal variability than other types. Model soil moistures are evaluated using three metrics: standard deviation in time, temporal correlation (memory), and spatial correlation (length scale). Models do relatively well in capturing large-scale variability of metrics across climate regimes, but they poorly reproduce observed patterns at scales of hundreds of kilometers and smaller. Uncoupled land models do no better than coupled model configurations, nor do reanalyses outperform free-running models. Spatial decorrelation scales are found to be difficult to diagnose. Using data for model validation, calibration, or data assimilation from multiple soil moisture networks with different types of sensors and measurement techniques requires great caution. Finally, data from models and observations should be put on the same spatial and temporal scales before comparison.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Radar Super Resolution using a Deep Convolutional Neural Network

Super-resolution involves synthetically increasing the resolution of gridded data beyond its native resolution. Typically, this is done using interpolation schemes, which estimate sub-grid scale values from neighboring data, and perform the same operation everywhere regardless of the large-scale context, or by requiring a network of radars with overlapping fields of view. Recently, significant progress has been made in single image super resolution using convolutional neural networks. Conceptually, a neural network may be able to learn relations between large scale precipitation features and the associated sub-pixel scale variability and outperform interpolation schemes. Here, we use a deep convolutional neural network to artificially enhance the resolution of NEXRAD PPI scans. The model is trained on 6-months of reflectivity observations from the Langley Hill WA (KLGX) radar, and we find that it substantially outperforms common interpolation schemes for x4 and x8 resolution increases based on several objective error and perceptual quality metrics.

radar, machine learning, super resolution, Remote ↗

DOE OSTI2026

Dynamic Disruption Resilience in Intermodal Transport Networks: Integrating Flow Weighting and Centrality Measures

Resilient intermodal freight networks are vital for sustaining supply chains amid increasing threats from natural hazards and cyberattacks. Transportation resilience has been widely studied; understanding how random and targeted disruptions affect structural connectivity and functional performance remains a key challenge. To address this, this study evaluates the robustness of the US intermodal freight network, which consists of rail and water modes, using a simulation-based framework that integrates graph-theoretic metrics with flow-weighted centrality measures. Disruption scenarios are examined, including random failures as well as targeted node and edge removals based on static and dynamically updated degree and betweenness centrality. To reflect more realistic conditions, flow-weighted degree centralities (WDC) and partial node degradation are considered. Two resilience indicators are used: (1) the size of the giant connected component to measure structural connectivity; and (2) flow-weighted network efficiency (NE) to assess freight mobility under disruption. The results show that progressively degrading nodes ranked by WDC to 60% of their original functionality causes a sharper decline in normalized NE, for up to approximately 45 affected nodes, than complete failure (100% loss of functionality) applied to nodes targeted by weighted betweenness centrality or selected at random. This highlights how partial degradation of high-tonnage hubs can produce disproportionately large functional losses. The findings emphasize the need for resilience strategies that go beyond network topology to incorporate freight flow dynamics.

42 ENGINEERING↗

DOE OSTI2025

Application of physics-informed neural networks (PINNs) solution to coupled thermal and hydraulic processes in silty sands

Abstract The accurate modeling of water and heat transport in soils is crucial for both geo-environmental and geothermal engineering. Traditional modeling methods are problematic because they require well-defined boundaries and initial conditions. Recently, physics-informed neural networks (PINNs), which incorporate partial differential equations (PDEs) to solve forward and inverse problems, have attracted increasing attention in machine learning research. In this study, we applied PINNs to tackle hydraulic and thermal transport coupling forward problems in silty sands. A fully connected deep neural network was utilized for training. This neural network model leverages automatic differentiation to apply the governing equations as constraints, based on the mathematical approximations established by the neural network itself. We conducted forward problems and compared the solutions derived from PINNs with those from Finite Element Method (FEM) simulations. The forward problem results demonstrate the PINNs model’s capability in predicting hydraulic transport, heat transport, and thermal–hydraulic coupling in silty sands under various boundary conditions. The PINNs exhibited great performance in simulating the thermal–hydraulic coupling problem. The accuracy of the PINNs solutions shows its potential for simulation in geotechnical engineering.

Feng, Yuan↗

DOE OSTI2024

Designing Ti-6Al-4V microstructure for strain delocalization using neural networks

Abstract The deformation behavior of Ti-6Al-4V titanium alloy is significantly influenced by slip localized within crystallographic slip bands. Experimental observations reveal that intense slip bands in Ti-6Al-4V form at strains well below the macroscopic yield strain and may serially propagate across grain boundaries, resulting in long-range localization that percolates through the microstructure. These connected, localized slip bands serve as potential sites for crack initiation. Although slip localization in Ti-6Al-4V is known to be influenced by various factors, an investigation of optimal microstructures that limit localization remains lacking. In this work, we develop a novel strategy that integrates an explicit slip band crystal plasticity technique, graph networks, and neural network models to identify Ti-6Al-4V microstructures that reduce the propensity for strain localization. Simulations are conducted on a dataset of 3D polycrystals, each represented as a graph to account for grain neighborhood and connectivity. The results are then used to train neural network surrogate models that accurately predict localization-based properties of a polycrystal, given its microstructure. These properties include the ratio of slip accumulated in the band to that in the matrix, fraction of total applied strain accommodated by slip bands, and spatial connectivity of slip bands throughout the microstructure. The initial dataset is enriched by synthetic data generated by the surrogate models, and a grid search optimization is subsequently performed to find optimal microstructures. Describing a 3D polycrystal with only a few features and a combination of graph and neural network models offer robustness compared to the alternative approaches without compromising accuracy. We show that while each material property is optimized through a unique microstructure solution, elongated grain shape emerges as a recurring feature among all optimal microstructures. This finding suggests that designing microstructures with elongated grains could potentially mitigate strain localization without compromising strength.

Ahmadikia, Behnam↗

DOE OSTI2022

Deep Neural Network Algorithm for CMC Microstructure Characterization and Variability Quantification

Microstructure characterization and variability quantification are crucial for understanding ceramic matrix composites (CMCs) mechanical behavior and deformation mechanisms across length scales. Traditionally, analyses of the micrographs obtained from microscopy are labor-intensive. However, with the vast improvement in computer vision (CV) and deep learning (DL), an automated algorithm can be designed to extract essential microstructure variability from micrographs which can then be used to construct a statistically representative volume element (SRVE). The DL-based algorithm spans the taxonomy of microstructure analyses, including semantic segmentation of microstructure constituents, secondary phases, matrix/fiber interface, and defects, and quantifying the microstructure variability in terms of probability distributions. In this work, C/SiNC and SiC/SiNC CMCs microstructures are semantically segmented through a deep convolutional neural network, followed by variability quantification through the implementation of a fully connected regression layer, hence forming a deep regression network. The deep regression network operates in a feedforward regime, in which the neuron output signal traverses through the network in a unidirectional manner. The weight tensor associated with each layer is updated through a backpropagation stochastic gradient descent approach. The input gray-scale image obtained through in-house scanning electron microscope and confocal microscope micrographs is augmented through affine transformations to increase the training set size, which is then processed through four strided convolutional layers. This compresses the image resolution by half at each layer while increasing the image depth by applying different filters (image encoding). The class activation maps (CAMs) corresponding to the applied filters highlight the key architectural features and assist with the semantic segmentation of the microstructure.

Hamza, Mohamed H.↗

DOE OSTI2021

Optics Enabled Networks and Architectures for Data Center Cost and Power Efficiency

Bandwidth demand for datacenter networks continues as performance increases and is further fueled by the exploding demand for AI and new HPC workloads. Managing power and costs will require a range of solutions including new networking and workload specialized architectures, composable systems and optical circuit switching. In this study we focus primarily on two topics, examining the benefits of flatter networks (enabled mainly by means of co-packaged-optics-enabled switches) and the utilization improvement potential for composable (disaggregated) systems, while discussing specialized hardware and networks, and optical circuit switching more briefly.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2022

Advanced architectures for high-performance quantum networking

As practical quantum networks prepare to serve an ever-expanding number of nodes, there has grown a need for advanced auxiliary classical systems that support the quantum protocols and maintain compatibility with the existing fiber-optic infrastructure. We propose and demonstrate a quantum local area network design that addresses current deployment limitations in timing and security in a scalable fashion using commercial off-the-shelf components. First, we employ White Rabbit switches to synchronize three remote nodes with ultra-low timing jitter, significantly increasing the fidelities of the distributed entangled states over previous work with Global Positioning System clocks. Second, using a parallel quantum key distribution channel, we secure the classical communications needed for instrument control and data management. Therefore, the conventional network that manages our entanglement network is secured using keys generated via an underlying quantum key distribution layer, preserving the integrity of the supporting systems and the relevant data in a future-proof fashion.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2015

3-way Networks: Application of Hypergraphs for Modelling Increased Complexity in Comparative Genomics

Herein we present and develop the theory of 3-way networks, a type of hypergraph in which each edge models relationships between triplets of objects as opposed to pairs of objects as done by standard network models. We explore approaches of how to prune these 3-way networks, illustrate their utility in comparative genomics and demonstrate how they find relationships which would be missed by standard 2-way network models using a phylogenomic dataset of 211 bacterial genomes.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2017

Emergent inequality and self-organized social classes in a network of power and frustration

We propose a simple agent-based model on a network to conceptualize the allocation of limited wealth among more abundant expectations at the interplay of power, frustration, and initiative. Concepts imported from the statistical physics of frustrated systems in and out of equilibrium allow us to compare subjective measures of frustration and satisfaction to collective measures of fairness in wealth distribution, such as the Lorenz curve and the Gini index. We find that a completely libertarian, law-of-the-jungle setting, where every agent can acquire wealth from or lose wealth to anybody else invariably leads to a complete polarization of the distribution of wealth vs. opportunity. This picture is however dramatically ameliorated when hard constraints are imposed over agents in the form of a limiting network of transactions. There, an out of equilibrium dynamics of the networks, based on a competition between power and frustration in the decision-making of agents, leads to network coevolution. The ratio of power and frustration controls different dynamical regimes separated by kinetic transitions and characterized by drastically different values of equality. It also leads, for proper values of social initiative, to the emergence of three self-organized social classes, lower, middle, and upper class. Their dynamics, which appears mostly controlled by the middle class, drives a cyclical regime of dramatic social changes.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Multiobjective and categorical global optimization of photonic structures based on ResNet generative neural networks

Abstract We show that deep generative neural networks, based on global optimization networks (GLOnets), can be configured to perform the multiobjective and categorical global optimization of photonic devices. A residual network scheme enables GLOnets to evolve from a deep architecture, which is required to properly search the full design space early in the optimization process, to a shallow network that generates a narrow distribution of globally optimal devices. As a proof-of-concept demonstration, we adapt our method to design thin-film stacks consisting of multiple material types. Benchmarks with known globally optimized antireflection structures indicate that GLOnets can find the global optimum with orders of magnitude faster speeds compared to conventional algorithms. We also demonstrate the utility of our method in complex design tasks with its application to incandescent light filters. These results indicate that advanced concepts in deep learning can push the capabilities of inverse design algorithms for photonics.

Jiang, Jiaqi↗

DOE OSTI2016

Analysis of citation networks as a new tool for scientific research

The rapid growth of scientific publications necessitates new methods to understand the direction of scientific research within fields of study, ascertain the importance of particular groups, authors, or institutions, compute metrics that can determine the importance (centrality) of particular seminal papers, and provide insight into the social (collaboration) networks that are present. We present one such method based on analysis of citation networks, using the freely available CiteSpace Program. We use citation network analysis on three examples, including a single material that has been widely explored in the last decade (BiFeO 3 ), two small subfields with a minimal number of authors (flexoelectricity and Kitaev physics), and a much wider field with thousands of publications pertaining to a single technique (scanning tunneling microscopy). Interpretation of the analysis and key insights into the fields, such as whether the fields are experiencing resurgence or stagnation, are discussed, and author or collaboration networks that are prominent are determined. Such methods represent a paradigm shift in our way of dealing with the large volume of scientific publications and could change the way literature searches and reviews are conducted, as well as how the impact of specific work is assessed.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Inverse Analysis with Variational Autoencoders: A Comparison of Shallow and Deep Networks

Inverse problems are applied to determine unknown properties by matching observational data with a physical model that often takes many parameters as input. To overcome the underconstrained nature of inverse problems and achieve good performance, an approach is presented involving regularization with a technique known as a variational autoencoder (VAE), which is trained to map a high-dimensional parameter space with a complex structure to a low-dimensional latent space with a simple structure. We apply this approach to unconditioned realizations of the parameters (heterogeneous hydraulic fields) for a hydrogeological inverse problem. Two types of hydraulic conductivity fields are used to evaluate the characterization for the different levels of heterogeneity complexity of the physical inputs. This approach keeps the computational cost of generating the training data low. The reason is unconditioned realizations neither rely on the observational data used to perform the inverse analysis nor require any groundwater flow model forward runs. In addition, this approach applies regularization on a low-dimensional latent space from the VAE and increases optimization efficiency through automatic differentiation. Furthermore, two different neural network (NN) structures are tested for their utility in using the VAE for inverse analysis. The performance of a deep, convolutional neural network strongly depends on the dimensionality of the latent space, which requires tuning. In contrast, a shallow, dense neural network provides consistently accurate characterization without tuning. Furthermore, our approach evaluates the advantages of the shallow, dense neural network over the deep, convolutional one and enables future application to a wide range of inverse problems.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2018

Dynamic Tuning of Seismic Signal Detector Trigger Levels for Local Networks

The quality of automatic signal detections from sensor networks depends on individual detector trigger levels (TLs) from each sensor. The largely manual process of identifying effective TLs is painstaking and does not guarantee optimal configuration settings, yet achieving superior automatic detection of signals and ultimately, events, is closely related to these parameters. In this paper, we present a Dynamic Detector Tuning (DDT) system that automatically adjusts effective TL settings for signal detectors to the current state of the environment by leveraging cooperation within a local neighborhood of network sensors. After a stabilization period, the DDT algorithm can adapt in near-real time to changing conditions and automatically tune a signal detector to identify (detect) signals from only events of interest. Our current work focuses on reducing false signal detections early in the seismic signal processing pipeline, which leads to fewer false events and has a significant impact on reducing analyst time and effort. This system provides an important new method to automatically tune detector TLs for a network of sensors and is applicable to both existing sensor performance boosting and new sensor deployment. Finally, with ground truth on detections from a local neighborhood of seismic sensors within a network monitoring the Mount Erebus volcano in Antarctica, we show that DDT reduces the number of false detections by 18% and the number of missed detections by 11% when compared with optimal fixed TLs for all sensors.

58 GEOSCIENCES↗