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At least 1,765 records · Page 98

Optimal Proactive Vehicle Relocation for On-Demand Mobility Service with Deep Convolution-LSTM Network

This study develops an innovative model for inferring optimal proactive relocation strategy for empty vehicles of on-demand mobility service (OMS) directly from past observations of passenger demand. The output of our model is a row stochastic relocation matrix which gives the probability that an empty vehicle should be relocated from location i to location j at any given time. The matrix itself is high-dimensional and therefore challenging to obtain accurate estimation with traditional machine learning approach. Our model proposes the low-rank approximation of the relocation matrix, and introduces the deep convolution-LSTM network which extracts low-level spatial and temporal features from past demand observations for best restoration of the actual low rank approximation vector. The model is trained by deriving the optimal matching strategies from one year of real-world trip data. The results show that our model is able to predict the low-rank approximation of the relocation matrix with 4% of mean absolute error, may reduce the relocation cost by 20%-45% as compared to the real-world observations and is 50% optimal as compared to the global optimal matching with perfect information.

Lei, Zengxiang↗

Forecasting for ESCAPE: A Multi-Institution Hybrid Forecasting and Nowcasting Operation for Sea-Breeze Convection Supporting a Ground-Based and Airborne Field Campaign

The Experiment of Sea-Breeze Convection, Aerosols, Precipitation and Environment (ESCAPE) field project deployed two aircraft and ground-based assets in the vicinity of Houston, Texas, between 27 May and 2 July 2022, examining how meteorological conditions, dynamics, and aerosols control the initiation, early growth stage, and evolution of coastal convective clouds. To ensure that airborne- and ground-based assets were deployed appropriately, a forecasting and nowcasting team was formed. Daily forecasts guided real-time decision-making by assessing synoptic weather conditions, environmental aerosol, and a variety of atmospheric modeling data to assign a probability for meeting specific ESCAPE campaign objectives. During the research flights, a small team of forecasters provided “nowcasting” support by analyzing radar, satellite, and new model data in real time. The nowcasting team proved invaluable to the campaign operation, as sometimes changing environmental conditions affected, for example, the timing of convective initiation. In addition to the success of the forecasting and nowcasting teams, the ESCAPE campaign offered a unique “testbed” opportunity where in-person and virtual support both contributed to campaign objectives. The forecasting and nowcasting teams were each composed of new and experienced forecasters alike, where new forecasters were given invaluable experience that would otherwise be difficult to attain. Both teams received training on forecast models, map analysis, Hybrid Single-Particle Lagrangian Integrated Trajectory model (HYSPLIT), and thermodynamic sounding analysis before the beginning of the campaign. In this article, the ESCAPE forecasting and nowcasting teams reflect on these experiences, providing potentially useful advice for future field campaigns requiring forecasting and nowcasting support in a hybrid virtual/in-person framework.

54 ENVIRONMENTAL SCIENCES↗

Multifactor Experiment and Model Integration to Determine the Regional Vulnerability of Permafrost Carbon to Climate Change. Final report

The major research goal of this project was to understand and quantify the fate of carbon stored in permafrost ecosystems using a combination of field and laboratory experiments to measure and model isotope ratios and carbon fluxes in a tundra ecosystem exposed to experimental warming. Field measurements centered on a two-factor experimental warming to increase air and soil temperatures alone, and in combination, at a tundra field site in Alaska. A second manipulation of water table was embedded within the warming treatment such that both major environmental factors (temperature, moisture) controlling ecosystem carbon dynamics were experimentally altered. The experiment was interfaced with modeling activities using both data assimilation and forward modeling approaches. Models were used to make forecasts of ecosystem carbon dynamics beyond the time frame and environmental space of the experiment itself. These results were linked with ongoing synthesis and model intercomparison activities through the Permafrost Carbon Network, which led to additional synthesis publications as a result of collaboration and data sharing from this project. As key outcomes, this project has produced new papers published in the peer-reviewed literature, archived datasets used for model-data intercomparisons, trained graduate students and postdoctoral researchers, and has raised awareness about the vulnerability of permafrost carbon to a wider audience.

54 ENVIRONMENTAL SCIENCES↗

Machine learning based reconstruction of intracardiac electrical behavior based on electrocardiograms

A computer-based system and process are disclosed for reconstructing the internal electrical behavior of a patient's heart based partly or wholly on the patient's electrocardiogram (ECG). The output of the process may include, for example, a cardiac activation map, and/or a representation of transmembrane potentials over time. The process advantageously does not require any medical imaging of the patient, and does not require any special medical equipment. For example, the patient's activation map and transmembrane potentials may be reconstructed based solely on a preexisting or newly-obtained 12-lead cardiac ECG of the patient. The process makes use of a machine learning model, such as a neural network based model, trained with actual and/or simulated ECGs and intracardiac electrical data (typically transmembrane potentials) of many thousands of patients. Because an insufficient quantity of such data exists for actual patients, model training may be performed using ECGs and intracardiac electrical data obtained through computer simulations.

Blake, Robert↗

DESI luminous red galaxy samples for cross-correlations

We present two galaxy samples, selected from DESI Legacy Imaging Surveys (LS) DR9, with approximately 20,000 square degrees of coverage and spectroscopic redshift distributions designed for cross-correlations such as with CMB lensing, galaxy lensing, and the Sunyaev-Zel'dovich effect. The first sample is identical to the DESI Luminous Red Galaxy (LRG) sample, and the second sample is an extended LRG sample with 2–3 times the DESI LRG density. We present the improved photometric redshifts, tomographic binning and their spectroscopic redshift distributions and imaging systematics weights, and magnification bias coefficients. The catalogs and related data products will be made publicly available. The cosmological constraints using this sample and Planck lensing maps are presented in a companion paper. Here, we also make public the new set of general-purpose photometric redshifts trained using DESI spectroscopic redshifts, which are used in this work, for all galaxies in LS DR9.

79 ASTRONOMY AND ASTROPHYSICS↗

Dataset for 'Ombadi, M. & Varadharajan, C. (2022). Urbanization and aridity mediate distinct salinity response to floods in rivers and streams across the Contiguous United States, Water Research'

This package contains data sets and code used to obtain the results in Ombadi, M., & Varadharajan, C. (2022). Urbanization and aridity mediate distinct salinity response to floods in rivers and streams across the Contiguous United States. Water Research, 118664. The folder "data" contains 259 .csv files, each of which has daily time series of concurrent streamflow (Q) and specific conductance (SC) for each of the sites used in this study originally downloaded from the USGS National Water Information System (NWIS; USGS, 2016). The number of data points in each of the files is at least 3650 (i.e. 10 years of daily measurements). The folder "RF_single_data" contains 259 .csv files, each of which include data used to train and test the Random Forest models at individual sites for predicting SC during days of floods. The folder "RF_regional_data" contains 3 .csv files, each of which include scaled data compiled from all sites within each climate zone (arid, temperate and wet). "metadata.csv" contains the physical properties of the 259 catchments corresponding to the sites used in this study; this data was extracted from GAGES-II dataset (Falcone et al., 2010). "RF_implementation.ipynb" is a Jupyter notebook with the code needed to implement the analysis using Random Forest models either for individual sites or for the regional models (for each climate zone). The code utilizes the data in the two folders: "RF_single_data" and "RF_regional_data" and the metadata.csv file.

54 ENVIRONMENTAL SCIENCES↗

ULTRAFAST HIGH-VOLTAGE KICKER SYSTEM HARDWARE FOR ION CLEARING GAPS

Ionization scattering of electron beams with residual gas molecules causes ion trapping in electron rings, both in a collider and electron cooling system. These trapped ions may cause emittance growth, tune shift, halo formation, and coherent coupled bunch instabilities. To clear the ions and prevent them from accumulating turn after turn, the gaps in a temporal structure of the beam are used. Typi- cally, the gap in the bunch train has a length of a few per- cent of the ring circumference. In those regions, the extrac- tion electrodes with high pulsed voltages are introduced. In this paper, we present the design consideration and initial test results of the high-voltage pulsed kicker hardware that includes vacuum device and pulsed voltage driver, capable of achieving over 3 kV of deflecting voltage amplitude, rise and fall times of less than 10 ns, 100 ns flat-top duration at 1.4 MHz repetition rate.

Smirnov, A.↗

A Comparison of Infectious Disease Forecasting Methods across Locations, Diseases, and Time

Accurate infectious disease forecasting can inform efforts to prevent outbreaks and mitigate adverse impacts. This study compares the performance of statistical, machine learning (ML), and deep learning (DL) approaches in forecasting infectious disease incidences across different countries and time intervals. We forecasted three diverse diseases: campylobacteriosis, typhoid, and Q-fever, using a wide variety of features (n = 46) from public datasets, e.g., landscape, climate, and socioeconomic factors. We compared autoregressive statistical models to two tree-based ML models (extreme gradient boosted trees [XGB] and random forest [RF]) and two DL models (multi-layer perceptron and encoder–decoder model). The disease models were trained on data from seven different countries at the region-level between 2009–2017. Forecasting performance of all models was assessed using mean absolute error, root mean square error, and Poisson deviance across Australia, Israel, and the United States for the months of January through August of 2018. The overall model results were compared across diseases as well as various data splits, including country, regions with highest and lowest cases, and the forecasted months out (i.e., nowcasting, short-term, and long-term forecasting). Overall, the XGB models performed the best for all diseases and, in general, tree-based ML models performed the best when looking at data splits. There were a few instances where the statistical or DL models had minutely smaller error metrics for specific subsets of typhoid, which is a disease with very low case counts. Feature importance per disease was measured by using four tree-based ML models (i.e., XGB and RF with and without region name as a feature). The most important feature groups included previous case counts, region name, population counts and density, mortality causes of neonatal to under 5 years of age, sanitation factors, and elevation. This study demonstrates the power of ML approaches to incorporate a wide range of factors to forecast various diseases, regardless of location, more accurately than traditional statistical approaches.

59 BASIC BIOLOGICAL SCIENCES↗

Leveraging 3D CAD and Virtual Reality in Design of the Calcine Disposition Project - 20512

Fluor Idaho's Calcine Disposition Project (CDP) is leveraging the power of three-dimensional (3D) visualization, light detection and ranging (Lidar), and virtual reality to improve designs and worker safety. With the use of computer-aided design (CAD) modeling software, the CDP has created 3D models of the facility and systems to aid in the design, development, and operation of its retrieval and transfer system. This by itself is nothing new and has been done in industry for years. The CDP project however is taking this a few steps farther with the use of Lidar and virtual reality software. The CRP is tasked with removing a radioactive granular material from stainless steel bins located in concrete vaults that were constructed in the late 1950's and early 1960's. While construction drawings are available, it is not certain that the drawings are as-built or how accurate they truly are. Part of the project requires precise placement of equipment on to bins around multiple pipe, electrical lines, and bin stiffeners. Relying solely on the existing drawings and models created from these drawings is highly risky and prone to failure. The first step to determine the precise location and orientation of all obstructions in the vault the project will use a Lidar system to scan the vault structure and precisely locate all vault and bin components. Once this information is obtained, the data will be integrated into the CAD model. The model will then be verified, and a true as-built model developed. Precise component location, size, and orientation will be used for final design and placement of retrieval components. The second step will be to take the verified 3D model and scan data and import it into virtual reality software creating a virtual world. While some work on the project requires all work to be completed remotely due to high radiation fields, some areas have low enough radiation levels that personnel can enter and perform work. With the use of a virtual reality headset, operators and technicians will be able to enter our virtual world and become familiar with the surroundings and perform work prior to ever entering the radiation environment. This training is expected to pay dividends by improving worker efficiency, reducing errors, and improving confidence that the work can be performed as expected. It will play a key aspect in as low as reasonably achievable (ALARA) principles. An additional aspect in using the Lidar scans and virtual environment, is that it will give engineers and managers an opportunity to revisit the facility, especially radiation areas, at any time to obtain design information and measurements that may be costly or impossible to obtain once the facility transitions into radiation operations. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Stress intensity factor models using mechanics-guided decomposition and symbolic regression

The finite element method can be used to compute accurate stress intensity factors (SIFs) for cracks with complex geometries and boundary conditions. In contrast, handbook solutions act as surrogate SIF models that provide significantly faster evaluation times. However, the development of conventional surrogate SIF models relies on manual development based on low-order parameterizations. This limits surrogate model accuracy and generalizability. Here, in this paper, we develop a framework for the automated development of mechanics-guided handbook SIF solutions by using interpretable machine learning via genetic programming for symbolic regression (GPSR). Formalizing the mechanics-based approach of Raju and Newman, SIF training data is decomposed into multiple subsets. This decomposition enables parallel GPSR model development of subfunctions, each of which accounts for specific geometrical corrections with respect to a known analytical model. Using this mechanics-based approach with GPSR allows for equations to be learned with improved accuracy and reduced complexity relative to the Raju Newman equations while maintaining the inherent interpretability of mathematical expressions. In this paper, we present equations that match the complexity of the Raju Newman equations while having reduced error, as well as equations with similar errors and reduced complexity.

42 ENGINEERING↗

Characterizing Defect Dynamics in Silicon Carbide Using Symmetry-Adapted Collective Variables and Machine Learning Interatomic Potentials

Silicon carbide (SiC) divacancies are attractive candidates for spin-defect qubits possessing long coherence times and optical addressability. The high activation barriers associated with SiC defect formation and motion pose challenges for their study by first-principles molecular dynamics. In this work, we develop and deploy machine learning interatomic potentials (MLIPs) to accelerate defect dynamics simulations while retaining ab initio accuracy. We employ an active learning strategy comprising symmetry-adapted collective variable discovery and enhanced sampling to compile configurationally diverse training data, calculation of energies and forces using density functional theory (DFT), and training of an E(3)-equivariant MLIP based on the Allegro model. Here, the trained MLIP reproduces DFT-level accuracy in defect transition activation free energy barriers, enables the efficient and stable simulation of multidefect 216-atom supercells, and permits an analysis of the temperature dependence of defect thermodynamic stability and formation/annihilation kinetics to propose an optimal annealing temperature to maximally stabilize VV divacancies.

Computer simulations↗

Pan-tropical daily L-band microwave land surface emissivity retrieval from GNSS-R observations

The uncertainties in microwave land surface emissivity (MLSE) measurements have long limited the use of spaceborne microwave radiometer data. As an emerging observation method, Global Navigation Satellite System Reflectometry (GNSS-R) has demonstrated great potential in several land and ocean applications. In this study, a method for obtaining daily MLSE dataset in the pan-tropical region from Cyclone GNSS (CYGNSS) observations is presented and evaluated. The CYGNSS observations are first aggregated into the Equal-Area-Scalable-Earth (EASE) 2.0 36 km grid by a combined weight function of distance, time, and signal-to-noise ratio variance. Then, the method employs a pixel-by-pixel regression algorithm to conduct the daily MLSE retrieval using reference emissivity derived from the Soil Moisture Active Passive (SMAP) brightness temperature. The CYGNSS MLSE shows good agreement with SMAP MLSE, delivering an overall root-mean-square error (RMSE) of 0.022 and 0.017 for horizontal and vertical polarization, respectively, during the training set spanning the whole year of 2018. Furthermore, on the test set from January 2019 to May 2019, the RMSE values amounted to 0.030 and 0.023 for horizontal and vertical polarization, respectively. Temperature records from the International Soil Moisture Network are employed to calculate the emissivity and for in-situ validation, which yield an RMSE of 0.034 and 0.026 for the two polarizations, respectively. The proposed algorithm provides an encouraging approach to obtain accurate daily MLSE dataset for microwave remote sensing. Compared to the SMAP MLSE, the CYGNSS MLSE has a remarkable improvement of 86% in temporal resolution, greatly complementing the existing microwave emissivity datasets.

54 ENVIRONMENTAL SCIENCES↗

Artificial neural network potentials for mechanics and fracture dynamics of two-dimensional crystals **

Understanding the mechanics and failure of materials at the nanoscale is critical for their engineering and applications. The accurate atomistic modeling of brittle failure with crack propagation in covalent crystals requires a quantum mechanics-based description of individual bond-breaking events. Artificial neural network potentials (NNPs) have emerged to overcome the traditional, physics-based modeling tradeoff between accuracy and accessible time and length scales. Previous studies have shown successful applications of NNPs for describing the structure and dynamics of molecular systems and amorphous or liquid phases of materials. However, their application to deformation and failure processes in materials is still uncommon. In this study, we discuss the apparent limitations of NNPs for the description of deformation and fracture under loadings and propose a way to generate and select training data for their employment in simulations of deformation and fracture simulations of crystals. We applied the proposed approach to 2D crystalline graphene, utilizing the density-functional tight-binding method for more efficient and extensive data generation in place of density functional theory. Then, we explored how the data selection affects the accuracy of the developed artificial NNPs. It revealed that NNP’s reliability should not only be measured based on the total energy and atomic force comparisons for reference structures but also utilize comparisons for physical properties, e.g. stress–strain curves and geometric deformation. In sharp contrast to popular reactive bond order potentials, our optimized NNP predicts straight crack propagation in graphene along both armchair and zigzag (ZZ) lattice directions, as well as higher fracture toughness of ZZ edge direction. Our study provides significant insight into crack propagation mechanisms on atomic scales and highlights strategies for NNP developments of broader materials.

2D materials↗

Er : Li Nb O 3 with High Optical Coherence Enabling Optical Thickness Control

Integrated photonics capable of incorporating rare-earth ions with high optical coherence is desirable for realizing efficient quantum transducers, compact quantum memories, and hybrid quantum systems. Here we describe a photonic platform based on the SmartCut erbium-doped lithium niobate thin film, and explore its stable optical transitions at telecom wavelength in a dilution refrigerator. Optical coherence time of up to 180μs, rivaling the value of bulk crystals, is achieved in optical ridge waveguides and ring resonators. With this integrated platform, we demonstrate tunable light-ion interaction and flexible control of optical thickness by exploiting long waveguides, whose lengths are in principle variable. This unique ability to obtain high optical density using low-concentration ions further leads to the observation of multiecho pulse trains in centimeter-long waveguides. Our results establish a promising photonic platform for quantum information processing with rare-earth ions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Link Scheduling in Satellite Networks via Machine Learning Over Riemannian Manifolds

Low Earth Orbit (LEO) satellites play a crucial role in enhancing global connectivity, serving a complementary solution to existing terrestrial systems. In wireless networks, scheduling is a vital process that allocates time-frequency resources to users for interference management. However, LEO satellite networks face significant challenges in scheduling their links towards ground users due to the satellites’ mobility and overlapping coverage. This paper addresses the dynamic link scheduling problem in LEO satellite networks by considering spatio-temporal correlations introduced by the satellites’ movements. The first step in the proposed solution involves modeling the network over Riemannian manifolds, thanks to their representation as symmetric positive definite matrices. We introduce two machine learning (ML)-based link scheduling techniques that model the dynamic evolution of satellite positions and link conditions over time and space. To accurately predict satellite link states, we present a recurrent neural network (RNN) over Riemannian manifolds, which captures spatio-temporal characteristics over time. Furthermore, we introduce a separate model, the convolutional neural network (CNN) over Riemannian manifolds, which captures geometric relationships between satellites and users by extracting spatial features from the network topology across all links. Simulation results demonstrate that both RNN and CNN over Riemannian manifolds deliver comparable performance to the fractional programming-based link scheduling (FPLinQ) benchmark. Remarkably, unlike other ML-based models that require extensive training data, both models only need 30 training samples to achieve over 99% of the sum rate while maintaining similar computational complexity relative to the benchmark.

42 ENGINEERING↗

Code for the manuscript titled "Blackout Diffusion: Generative Diffusion Models in Discrete-State Spaces"

We would like to disclose two scripts, written in Jupyter notebook, in which we implement the "Blackout Diffusion Process" described in the manuscript "Blackout Diffusion: Generative Diffusion Models in Discrete-State Spaces" (LA-UR-23-20509), to be submitted to the International Conference of Machine Learning (ICML). The abstract of the manuscript is append below. == Typical generative diffusion models rely on a Gaussian diffusion process for training the backward transformations, which can then be used generate samples from Gaussian noise. However, real world data often takes place in discrete-state spaces, which occur in many scientific applications. Here, we develop a theoretical formulation for arbitrary discrete-state Markov processes in the forward diffusion process. We relate the theory to the existing continuous-state Gaussian diffusion and identify the corresponding reverse-time stochastic process and score function in the continuous-time setting, and the reverse-time mapping in the discrete-time setting. As an example of this framework, we introduce "Blackout Diffusion", which learns to produce samples from an empty image instead of from noise. Numerical experiments on the CIFAR-10 dataset confirm the feasibility of generative diffusion modeling in a discrete space. Generalizing from specific (Gaussian) forward processes to a more general framework also sheds light on how to interpret generative diffusion models and their mathematical structure, which we comment on.

Lin, Yen Ting↗

Transforming the Uranium Fuel Cycle: Safe & Economical Conversion of DUF 6 to DUF 4 [Slides]

Project Outcomes: Designed and fabricated SS reaction vessels for executing reactions with UF 6 at SIGMA, followed by transport and analysis at TA-48; Established a new capability at SIGMA for performing small mass transfers of UF 6 ; Safety documentation approved for performing new UF 6 chemistry at SIGMA; Staff training and conversion opportunity established for LANL Seaborg post-doc; Neat reaction with HMDS (CH 3 ) 3 Si-Si(CH 3 ) 3 produced fluorosilanes; In reactions with solvents, fluorination observed. No DUF 4 observed yet. Observations: Only 4 reactions were completed – more clearly needed; Due to problems with procurement, we did not get the mass control flow (MFC) unit until late August; Due to staff and time shortages UF 4 was never delivered from SIGMA to TA-48 by SHIP-IT; Established ability for future collaboration between C and Sigma.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Learning Management System User Requirements for the National Nuclear Security Administration's International Nuclear Safeguards Engagement Program

The National Nuclear Security Administration's (NNSA) International Nuclear Safeguards Engagement Program (INSEP) is considering investing in new tools that would allow the program to support its partner states from a distance. At the same time, the program is considering approaches that would allow several organizations, including NNSA, IAEA, national laboratories and contractor staff, to collaborate in the development and maintenance of instructional content. Software systems known as Learning Management Systems (LMSs) might represent a mechanism through which INSEP could accomplish these goals (collaborative development and remote support). To assess the usefulness of an LMS, INSEP has specified its needs for delivering online training and compared those needs to the capability of a range of LMSs. This comparison will allow INSEP to determine whether an LMS would be a useful tool and may set the stage for a "make-buy" decision in the future. The study team concluded that INSEP's content development and delivery needs align well with the capabilities of the leading LMSs on the market today and that that INSEP performance requirements allow for a customized approach using existing training portals that are already available to NNSA. Additional work would be required to specify the desired processes for developing online training and outreach materials, structuring the databases, specifying the data that should be collected, and detailing the desired system reports and documentation.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗