Prediction of two-dimensional nodal-line semimetals in a carbon nitride covalent network
2D NLSM in carbon nitride covalent network.
Chemistry↗
SEARCH · Engineering Papers
Results for “Networking”
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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Chemically inert covalently networked triazole-based solid polymer electrolytes for stable all-solid-state lithium batteries
Chemically inert covalently networked solid polymer electrolytes with triazole groups as crosslinks were developed for all-solid-state lithium batteries.
Shi, Yi↗
Large-scale experimental validation of thermochemical water-splitting oxides discovered by defect graph neural networks
Thermochemical water-splitting (TCH) based on 2-step thermal redox cycles in metal oxides is a promising approach to generating H 2 , but state-of-the-art (SOTA) CeO 2 has several practical limitations, which has motivated continued materials discovery efforts in this field. Here, in this study, we improve upon a SOTA defect graph neural network (dGNN) surrogate model's oxygen vacancy predictions and combine them with materials project phase diagrams to down-select and discover structurally diverse, experimentally known metal oxides whose TCH performance was previously unknown. Amongst twelve candidates selected based on our high-throughput screening and down-selection criteria, we achieved ∼80% accuracy in identifying materials with stable redox cycling and hydrogen production in stagnation flow reactor water-splitting experiments. Closer to 100% accuracy can be achieved if higher-accuracy, hybrid DFT-predicted vacancy formation energies were computed and used in lieu of the most uncertain dGNN-based screening predictions, as they correct false positives to true negatives. Notably, two discovered candidates, Sr 3 PrMn 2 O 8 and Ba 2 Fe 2 O 5 , display hydrogen yields greater than CeO 2 under specific redox conditions. In conclusion, these results demonstrate our ability to computationally predict and experimentally validate promising candidate TCH materials that have the potential to compete with CeO 2 .
08 HYDROGEN↗
Water-induced nanochannel networks in self-assembled block ionomers
Block ionomers cast from solution exhibit solvent-templated morphologies that can be altered by solvent-vapor annealing. When cast from a mixed solvent, a midblock-sulfonated pentablock ionomer self-assembles into spherical ionic microdomains that are loosely connected. Upon exposure to liquid water, nanoscale channels irreversibly develop between the microdomains due to swelling and form a continuous mesoscale network. In this work, we use electron tomography and real-time X-ray scattering to follow this transformation and show that the resultant morphology provides a highly effective diffusive pathway.
36 MATERIALS SCIENCE↗
Mapping the Temperature-dependent and network site-specific onset of spectral diffusion at the surface of a water cluster cage
We explore the kinetic processes that sustain equilibrium in a microscopic, finite system. This is accomplished by monitoring the spontaneous, time-dependent frequency evolution (the frequency autocorrelation) of a single OH oscillator, embedded in a water cluster held in a temperature-controlled ion trap. The measurements are carried out by applying two-color, IR-IR photodissociation mass spectrometry to the D3O+?(HDO)(D2O)19 isotopologue of the “magic number” protonated water cluster, H+?(H2O)21. The OH group can occupy any one of the five spectroscopically distinct sites in the distorted pentagonal dodecahedron cage structure. The OH frequency is observed to evolve over tens of milliseconds in the temperature range (90-120 K). Starting at 100 K, large “jumps” are observed between two OH frequencies separated by ~300 cm-1 indicating migration of the OH group from the bound OH site at 3350 cm-1 to the free position at 3686 cm-1. Increasing the temperature to 110 K leads to partial interconversion among many sites. All sites are observed to interconvert at 120 K such that the distribution of the unique OH group among them adopts the form one would expect for a canonical ensemble. The spectral dynamics displayed by the clusters thus offer an unprecedented view into the molecular-level processes that drive spectral diffusion in an extended network of water molecules.
Yang, Nan↗
Evaluation of regression and neural network models for solar forecasting over different short-term horizons
Forecasting solar irradiation has acquired immense importance in view of the exponential increase in the number of solar pho- tovoltaic (PV) system installations. In this article, analyses results involving statistical and machine-learning techniques to predict solar irradiation for di?erent forecasting horizons are reported. Yearlong typical meteorological year 3 (TMY3) datasets from three cities in the United States with di?erent climatic conditions have been used in this analysis. A simple forecast approach that assumes consecutive days to be identical serves as a baseline model to compare forecasting alternatives. To account for seasonal variability and to capture short-term ?uctuations, di?erent variants of the lagged moving average (LMX) model with cloud cover as the input variable are evaluated. Finally, the proposed LMX model is evaluated against an arti?cial neural network (ANN) model. How the one-hour and 24-hour models can be used in conjunction to predict di?erent short-term rolling horizons is discussed, and this joint application is illustrated for a four-hour rolling horizon forecast scheme. Finally, the e?ect of using predicted cloud cover values, instead of measured ones, on the accuracy of the models is assessed. Results show that LMX models do not degrade in forecast accuracy if models are trained with the forecast cloud cover data.
Inanlouganji, Alireza↗
Global topology of contact force networks: Insight into shear thickening suspensions
Not Available
Edens, Lance E.↗
Convolutional Neural Networks for Hydrometeor Classification using Dual Polarization Doppler Radars
Traditional fuzzy logic hydrometeor classification algorithm is a common way to classify precipitation type from dual polarization doppler radar. We propose a deep learning-based method to estimate hydrometeors efficiently using observed radar variables such as horizontal reflectivity (Z H ), differential reflectivity (Z DR ), correlation coefficient (ρ HV ) and specific differential phase (K DP ) from National Weather Service NEXRAD collected at Vance AFB facility at the first elevation angle from January 1st, 2015 to July 31th, 2019. We stack matrices of values from these four polarimetric variables as one 3D array. Samples are preprocessed and divided into training, validation and test set with four target hydrometeor categories (Ice Crystals (IC), Dry Snow (DS), Light and/or Moderate Rain (RA) and Big Drops (rain) (BD)). We developed and optimized five Convolutional Neural Networks (CNNs) architectures and achieved an accuracy of 87.23% and 93.736% respectively using modified ResNet with two different input data selection strategies for hydrometeor classification. Training data selection strategies were important to ensure use of available samples in training for robust performance evaluated by applying the models to novel time period beyond what was use to train the model. Seasonal variation in atmospheric conditions lead to seasonal patterns of liquid vs solid forms of precipitation, that poses challenge for classifier and offer insights into domain specific approaches required for problem of hydrometeor identification. Computationally efficient and scalable approach for classification of hydrometeors offer opportunties to effectively use the large volumes of rich time series of radar observations that are becoming increasingly available.
Lu, Yuping↗
A Solar-assisted Voltage Optimization Method for Transmission Solar Network Power System
This paper proposes a new formulation and solution algorithm that uses transmission level solar inverters to address the security-constrained optimal power flow (SCOPF) problem. The goal is to stabilize voltage fluctuations in transmission networks in base case and contingency scenarios, by using bulk solar power plant with a minimal number of post-contingency corrections. To achieve this goal, a two-stage volt/var optimization method is proposed to first correct all voltage violations with the volt-var alternating current optimal power flow (ACOPF) algorithm for a base case. Then a linearized SCOPF volt-var control algorithm is proposed to identify the corrective actions for all potential voltage violations in all contingency scenarios. The proposed method was tested and validated on a modified IEEE 118-bus system with solar photovoltaic (PV) data.
Photovoltaic, Volt/Var Control↗
Parametric Optimization Problem Formulation for Connected Hybrid Electric Vehicles using Neural Network based Equivalent Model
The dynamics of powertrain control systems are complicated and involve both nonlinear plant model and control functionalities, albeit they are well defined and formulated using first principle approaches. This constitutes difficulties in exploring implementable optimal tuning rules for some selected control parameters using vehicle-to-vehicle (V2V) communications. This paper presents a way to use neural networks (NN) to represent the problem of parameter tuning for optimizing fuel consumption. For this purpose, physical modelling and validation have been firstly performed for the closed loop powertrain system of the concerned vehicle for some given driving cycles. This is then followed by the sensitivity analysis that selects most influential control parameters to optimize. Using the data generated from the obtained physical models, an equivalent NN formulation has finally been obtained that gives simple yet unified objectives and constraints ready to be used to solve the optimization problem that produces optimal tuning rules for the selected control parameters to minimize fuel consumption.
Parameter optimization, V2X, Powertrain modeling↗
The Mertens Unrolled Network (MU-Net): A High Dynamic Range Fusion Neural Network for Through the Windshield Driver Recognition
Face recognition of vehicle occupants through windshields in unconstrained environments poses a number of unique challenges ranging from glare, poor illumination, driver pose and motion blur. In this paper, we further develop the hardware and software components of a custom vehicle imaging system to better overcome these challenges. After the build out of a physical prototype system that performs High Dynamic Range (HDR) imaging, we collect a small dataset of through-windshield image captures of known drivers. We then reformulate the classical Mertens-Kautz-Van Reeth HDR fusion algorithm as a pre-initialized neural network, which we name the Mertens Unrolled Network (MU-Net), for the purpose of fine-tuning the HDR output of through-windshield images. Reconstructed faces from this novel HDR method are then evaluated and compared against other traditional and experimental HDR methods in a pre-trained state-of-the-art (SOTA) facial recognition pipeline, verifying the efficacy of our approach.
Ruby, Max↗
The United States Culture Collection Network (USCCN): Enhancing Microbial Genomics Research through Living Microbe Culture Collections
The mission of the United States Culture Collection Network (USCCN; http://usccn.org) is "to facilitate the safe and responsible utilization of microbial resources for research, education, industry, medicine, and agriculture for the betterment of human kind." Microbial culture collections are a key component of life science research, biotechnology, and emerging global biobased economies. Representatives and users of several microbial culture collections from the United States and Europe gathered at the University of California, Davis, to discuss how collections of microorganisms can better serve users and stakeholders and to showcase existing resources available in public culture collections.
Boundy-Mills, K.↗
fPINNs: Fractional Physics-Informed Neural Networks
Physics-informed neural networks (PINNs), introduced, are effective in solving integer-order partial differential equations (PDEs) based on scattered and noisy data. PINNs employ standard feedforward neural networks (NNs) with the PDEs explicitly encoded into the NN using automatic differentiation, while the sum of the mean-squared PDE residuals and the mean-squared error in initial-boundary conditions is minimized with respect to the NN parameters. Here we extend PINNs to fractional PINNs (fPINNs) to solve space-time fractional advection-diffusion equations (fractional ADEs), and we study systematically their convergence, hence explaining both fPINNs and PINNs for the first time. Specifically, we demonstrate their accuracy and effectiveness in solving multidimensional forward and inverse problems with forcing terms whose values are only known at randomly scattered spatio-temporal coordinates (black-box (BB) forcing terms). A novel element of the fPINNs is the hybrid approach that we introduce for constructing the residual in the loss function using both automatic differentiation for the integer-order operators and numerical discretization for the fractional operators. This approach bypasses the difficulties stemming from the fact that automatic differentiation is not applicable to fractional operators because the standard chain rule in integer calculus is not valid in fractional calculus. To discretize the fractional operators, we employ the Grünwald--Letnikov (GL) formula in one-dimensional fractional ADEs and the vector GL formula in conjunction with the directional fractional Laplacian in two- and three-dimensional fractional ADEs. We first consider the one-dimensional fractional Poisson equation and compare the convergence of the fPINNs against the finite difference method (FDM). We present the solution convergence using both the mean L 2 error as well as the standard deviation due to sensitivity to NN parameter initializations. Using different GL formulas we observe first-, second-, and third-order convergence rates for small size training sets but the error saturates for larger training sets. We explain these results by analyzing the four sources of numerical errors due to discretization, sampling, NN approximation, and optimization. The total error decays monotonically (below 10 –5 for a third-order GL formula) but it saturates beyond that point due to the optimization error. We also analyze the relative balance between discretization and sampling errors and observe that the sampling size and the number of discretization points (auxiliary points) should be comparable to achieve the highest accuracy. As we increase the depth of the NN up to certain value, the mean error decreases and the standard deviation increases, whereas the width has essentially no effect unless its value is either too small or too large. We next consider time-dependent fractional ADEs and compare white-box (WB) and BB forcing. We observe that for the WB forcing, our results are similar to the aforementioned cases; however, for the BB forcing fPINNs outperform FDM. Subsequently, we consider multidimensional time-, space-, and space-time-fractional ADEs using the directional fractional Laplacian and we observe relative errors of 10 –3 ~ 10 –4 . Lastly, we solve several inverse problems in one, two, and three dimensions to identify the fractional orders, diffusion coefficients, and transport velocities and obtain accurate results given proper initializations even in the presence of significant noise.
97 MATHEMATICS AND COMPUTING↗
Neuroevolution of Spiking Neural Networks Using Compositional Pattern Producing Networks
Spiking neural networks (SNNs) offer tremendous potential for the future of AI, including the ability to be implemented efficiently on neuromorphic systems. One of the challenges in building functioning SNNs is the training process, as standard error back-propagation cannot be easily applied. In this work, we extend an evolutionary approach for training SNNs by implementing an indirect encoding of individuals. Specifically, we evolve SNNs using Compositional Pattern Producing Networks, which are able to learn the connectivity patterns between neurons defined in a coordinate space. We validate the approach on multiple control and classification tasks.
Elbrecht, Daniel↗
A Grassroots Network and Community Roadmap for Interconnected Autonomous Science Laboratories for Accelerated Discovery
Scientific discovery is being revolutionized by AI and autonomous systems, yet current autonomous laboratories remain isolated islands unable to collaborate across institutions. We present the Autonomous Interconnected Science Lab Ecosystem (AISLE), a grassroots network transforming fragmented capabilities into a unified system that shorten the path from ideation to innovation to impact and accelerates discovery from decades to months. AISLE addresses five critical dimensions: (1) cross-institutional equipment orchestration, (2) intelligent data management with FAIR compliance, (3) AI-agent driven orchestration grounded in scientific principles, (4) interoperable agent communication interfaces, and (5) AI/ML-integrated scientific education. By connecting autonomous agents across institutional boundaries, autonomous science can unlock research spaces inaccessible to traditional approaches while democratizing cutting-edge technologies. This paradigm shift toward collaborative autonomous science promises breakthroughs in sustainable energy, materials development, and public health.
Ferreira da Silva, Rafael [Oak Ridge National Labo↗
Machine-learning-aided cognitive reconfiguration for flexible-bandwidth HPC and data center networks [Invited]
This paper proposes a machine-learning (ML)-aided cognitive approach for effective bandwidth reconfiguration in optically interconnected datacenter/high-performance computing (HPC) systems. The proposed approach relies on a Hyper-X-like architecture augmented with flexible-bandwidth photonic interconnections at large scales using a hierarchical intra/inter-POD photonic switching layout. We first formulate the problem of the connectivity graph and routing scheme optimization as a mixed-integer linear programming model. A two-phase heuristic algorithm and a joint optimization approach are devised to solve the problem with low time complexity. Then, we propose an ML-based end-to-end performance estimator design to assist the network control plane with intelligent decision making for bandwidth reconfiguration. Numerical simulations using traffic distribution profiles extracted from HPC applications traces as well as random traffic matrices verify the accuracy performance of the ML design estimator ( < <#comment/> 9 % <#comment/> error) and demonstrate up to 5 × <#comment/> throughput gain from the proposed approach compared with the baseline Hyper-X network using fixed all-to-all intra/inter-portable data center interconnects.
Chen, Xiaoliang (ORCID:0000000278056237)↗
Designing noise-robust quantum networks coexisting in the classical fiber infrastructure
The scalability of quantum networking will benefit from quantum and classical communications coexisting in shared fibers, the main challenge being spontaneous Raman scattering noise. We investigate the coexistence of multi-channel O-band quantum and C-band classical communications. We characterize multiple narrowband entangled photon pair channels across 1282 nm-1318 nm co-propagating over 48 km of installed standard fiber with record C-band power (>18 dBm) and demonstrate that some quantum-classical wavelength combinations significantly outperform others. We analyze the Raman noise spectrum, optimal wavelength engineering, multi-photon pair emission in entangled photon-classical coexistence, and evaluate the implications for future quantum applications.
Optics↗