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At least 1,387 records · Page 77

Applying Transfer Learning for Street-Scale Nuisance Flood Forecasting in Coastal-Urban Cities

An important challenge with Machine Learning (ML) is its transferability; that is, whether a ML model trained on one set of data can be applied to a second set of data without requiring a full re-training of the model. Transfer Learning (TL) addresses this challenge by transferring knowledge learned in the source domain (the data it was trained on) to the target domain (a second set of data that is statistically different but related, which the model was not trained on). This study investigates the use of TL for street-scale nuisance flood forecasting by exploring whether a ML model trained on data collected for one set of streets can effectively forecast flooding for another set of streets in the same city using TL. The envisioned use case is a city deploying a new flood depth monitoring sensor on a street and using TL to apply a ML model, trained on sensor data from an existing flood depth sensor network, to this new street. Eventually, the new flood depth sensor will have a sufficient dataset for training its own ML model, but TL can be used to fill the gap in time while this new dataset is being generated. This method is explored using a Long Short-Term Memory (LSTM) model trained on data for the flood-prone streets of Norfolk City, Virginia. The data used for training includes environmental time series (rainfall, tide), topographic features (Digital Elevation Model (DEM), Topographic Wetness Index (TWI), Depth To Water (DTW)), and street-scale flood depth time series obtained from a high-fidelity physics-based model, acting as a synthetic street-scale stream depth sensor dataset since actual stream depth sensor data is generally unavailable for most cities. A set of 180 flood-prone streets was used to train a base model, while another set of 180 flood-prone streets was used to re-train that model using different TL strategies. The results show that full-weight re-training proved most effective and minimal re-training of only the output layer was insufficient. The advantage of TL was most pronounced when target data was limited, meaning data collected at the new water depth sensor location included generally less than 18 flood events. As target data increased beyond 18 flood events, the benefit of TL diminished relative to training a ML model directly on the local flood events. These findings can assist cities as they implement street-scale flood sensing systems to create accurate forecasts for new sensing locations that do not yet have sufficient data records to train a local ML model.

Roy, Binata [Univ. of Virginia, Charlottesville, V↗

Physics informed deep neural network embedded in a chemical transport model for the Amazon rainforest

Secondary organic aerosols (SOA) are fine particles in the atmosphere, which interact with clouds, radiation and affect the Earth’s energy budget. SOA formation involves chemistry in gas phase, aqueous aerosols, and clouds. Simulating these chemical processes involve solving a stiff set of differential equations, which are computationally expensive steps for three-dimensional chemical transport models. Deep neural networks (DNNs) are universal function approximators that could be used to represent the complex nonlinear changes in aerosol physical and chemical processes; however, key challenges such as generalizability to extended time periods, preservation of mass balance, simulating sparse model outputs, and maintaining physical constraints have limited their use in atmospheric chemistry. Here, we develop an approach of using a physics-informed DNN that overcomes previous such challenges and demonstrates its applicability for the chemical formation processes of isoprene epoxydiol SOA (IEPOX-SOA) over the Amazon rainforest. The DNN is trained with data generated by simulating IEPOX-SOA over the entire atmospheric column, using the Weather Research and Forecasting Model coupled with Chemistry (WRF-Chem). The trained DNN is then embedded within WRF-Chem to replace the computationally expensive default solver of IEPOX-SOA formation. The trained DNN predictions generalizes well with the default model simulation of the IEPOX-SOA mass concentrations and its size distribution (20 size bins) over several days of simulations in both dry and wet seasons. The embedded DNN reduces the computational expense of WRF-Chem by a factor of 2. Our approach shows promise in terms of application to other computationally expensive chemistry solvers in climate models.

54 ENVIRONMENTAL SCIENCES↗

Modeling freight mode choice using machine learning classifiers: a comparative study using Commodity Flow Survey (CFS) data

This study explores the usefulness of machine learning classifiers for modeling freight mode choice. We investigate eight commonly used machine learning classifiers, namely Naïve Bayes, Support Vector Machine, Artificial Neural Network, K-Nearest Neighbors, Classification and Regression Tree, Random Forest, Boosting and Bagging, along with the classical Multinomial Logit model. US 2012 Commodity Flow Survey data are used as the primary data source; we augment it with spatial attributes from secondary data sources. The performance of the classifiers is compared based on prediction accuracy results. The current research also examines the role of sample size and training-testing data split ratios on the predictive ability of the various approaches. In addition, the importance of variables is estimated to determine how the variables influence freight mode choice. The results show that the tree-based ensemble classifiers perform the best. Specifically, Random Forest produces the most accurate predictions, closely followed by Boosting and Bagging. With regard to variable importance, shipment characteristics, such as shipment distance, industry classification of the shipper and shipment size, are the most significant factors for freight mode choice decisions.

42 ENGINEERING↗

Multiomics Data Collection, Visualization, and Utilization for Guiding Metabolic Engineering

Biology has changed radically in the past two decades, growing from a purely descriptive science into also a design science. The availability of tools that enable the precise modification of cells, as well as the ability to collect large amounts of multimodal data, open the possibility of sophisticated bioengineering to produce fuels, specialty and commodity chemicals, materials, and other renewable bioproducts. However, despite new tools and exponentially increasing data volumes, synthetic biology cannot yet fulfill its true potential due to our inability to predict the behavior of biological systems. Here, we showcase a set of computational tools that, combined, provide the ability to store, visualize, and leverage multiomics data to predict the outcome of bioengineering efforts. We show how to upload, visualize, and output multiomics data, as well as strain information, into online repositories for several isoprenol-producing strain designs. We then use these data to train machine learning algorithms that recommend new strain designs that are correctly predicted to improve isoprenol production by 23%. This demonstration is done by using synthetic data, as provided by a novel library, that can produce credible multiomics data for testing algorithms and computational tools. In short, this paper provides a step-by-step tutorial to leverage these computational tools to improve production in bioengineered strains.

09 BIOMASS FUELS↗

LACIE ADP/PI joint case study: ADP analysis guidelines

The procedure is described which was used to train automatic data processing (ADP) analysts to process ERTS 1 imagery from a 5 nm by 6 nm area in Delisle, Canada, and to estimate wheat acreage using training fields provided by photointerpreters. The exercise also served to evaluate and test current large area crop inventory experiment (LACIE) procedures.

Minter, T. C.↗

Automated extraction of metadata from remotely sensed satellite imagery

The paper discusses research in the Intelligent Data Management project at the NASA/Goddard Space Flight Center, with emphasis on recent improvements in low-level feature detection algorithms for performing real-time characterization of images. Images, including MSS and TM data, are characterized using neural networks and the interpretation of the neural network output by an expert system for subsequent archiving in an object-oriented data base. The data show the applicability of this approach to different arrangements of low-level remote sensing channels. The technique works well when the neural network is trained on data similar to the data used for testing.

Cromp, Robert F.↗

Test Telemetry And Command System (TTACS)

The Jet Propulsion Laboratory has developed a multimission Test Telemetry and Command System (TTACS) which provides a multimission telemetry and command data system in a spacecraft test environment. TTACS reuses, in the spacecraft test environment, components of the same data system used for flight operations; no new software is developed for the spacecraft test environment. Additionally, the TTACS is transportable to any spacecraft test site, including the launch site. The TTACS is currently operational in the Galileo spacecraft testbed; it is also being provided to support the Cassini and Mars Surveyor Program projects. Minimal personnel data system training is required in the transition from pre-launch spacecraft test to post-launch flight operations since test personnel are already familiar with the data system's operation. Additionally, data system components, e.g. data display, can be reused to support spacecraft software development; and the same data system components will again be reused during the spacecraft integration and system test phases. TTACS usage also results in early availability of spacecraft data to data system development and, as a result, early data system development feedback to spacecraft system developers. The TTACS consists of a multimission spacecraft support equipment interface and components of the multimission telemetry and command software adapted for a specific project. The TTACS interfaces to the spacecraft, e.g., Command Data System (CDS), support equipment. The TTACS telemetry interface to the CDS support equipment performs serial (RS-422)-to-ethernet conversion at rates between 1 bps and 1 mbps, telemetry data blocking and header generation, guaranteed data transmission to the telemetry data system, and graphical downlink routing summary and control. The TTACS command interface to the CDS support equipment is nominally a command file transferred in non-real-time via ethernet. The CDS support equipment is responsible for metering the commands to the CDS; additionally for Galileo, TTACS includes a real-time-interface to the CDS support equipment. The TTACS provides the basic functionality of the multimission telemetry and command data system used during flight operations. TTACS telemetry capabilities include frame synchronization, Reed-Solomon decoding, packet extraction and channelization, and data storage/query. Multimission data display capabilities are also available. TTACS command capabilities include command generation verification, and storage.

Fogel, Alvin J.↗

Finding Hidden Patterns in High Resolution Wind Flow Model Simulations

Wind flow data is critical in terms of investment decisions and policy making. High resolution data from wind flow model simulations serve as a supplement to the limited resource of original wind flow data collection. Given the large size of data, finding hidden patterns in wind flow model simulations are critical for reducing the dimensionality of the analysis. In this work, we first perform dimension reduction with two autoencoder models: the CNN-based autoencoder (CNN-AE) [1], and hierarchical autoencoder (HIER-AE) [2], and compare their performance with the Principal Component Analysis (PCA). We then investigate the super-resolution of the wind flow data. By training a Generative Adversarial Network (GAN) with 300 epochs, we obtained a trained model with 2× resolution enhancement. We compare the results of GAN with Convolutional Neural Network (CNN), and GAN results show finer structure as expected in the data field images. Also, the kinetic energy spectra comparisons show that GAN outperforms CNN in terms of reproducing the physical properties for high wavenumbers and is critical for analysis where high-wavenumber kinetics play an important role.

97 MATHEMATICS AND COMPUTING↗

Improving River Routing Using a Differentiable Muskingum‐Cunge Model and Physics‐Informed Machine Learning

Recently, rainfall-runoff simulations in small headwater basins have been improved by methodological advances such as deep neural networks (NNs) and hybrid physics-NN models—particularly, a genre called differentiable modeling that intermingles NNs with physics to learn relationships between variables. However, hydrologic routing simulations, necessary for simulating floods in stem rivers downstream of large heterogeneous basins, had not yet benefited from these advances and it was unclear if the routing process could be improved via coupled NNs. We present a novel differentiable routing method (δMC-Juniata-hydroDL2) that mimics the classical Muskingum-Cunge routing model over a river network but embeds an NN to infer parameterizations for Manning's roughness (n) and channel geometries from raw reach-scale attributes like catchment areas and sinuosity. The NN was trained solely on downstream hydrographs. Synthetic experiments show that while the channel geometry parameter was unidentifiable, n can be identified with moderate precision. With real-world data, the trained differentiable routing model produced more accurate long-term routing results for both the training gage and untrained inner gages for larger subbasins (>2,000 km2) than either a machine learning model assuming homogeneity, or simply using the sum of runoff from subbasins. The n parameterization trained on short periods gave high performance in other periods, despite significant errors in runoff inputs. The learned n pattern was consistent with literature expectations, demonstrating the framework's potential for knowledge discovery, but the absolute values can vary depending on training periods. The trained n parameterization can be coupled with traditional models to improve national-scale hydrologic flood simulations.

54 ENVIRONMENTAL SCIENCES↗

Interpretable Machine Learning for Characterizing Electric Vehicle Charging Behavior: Insights from Real-World Data

As electric vehicle (EV) adoption rises globally, concerns about the impact on aging electrical grids grow, particularly regarding the charging behavior of EV drivers. This study analyzes real-world driving and charging data from Ford battery electric vehicles (BEVs) collected between 2018 and 2019 to develop interpretable models that characterize charging behavior and quantify influencing factors. Prior research has relied on assumptions regarding driver behavior, often overlooking actual charging patterns. By employing generalized linear mixed models (GLMMs), this work offers insights into how various elements, such as next trip distance and state of charge (SOC), influence charging decisions. The dataset comprises over three million park-trip pairs from 1,997 vehicles, revealing that features related to driving behavior significantly dictate charging behavior, while infrastructure and regional factors have lesser impacts. The findings suggest that existing simulation models may oversimplify EV charging behavior assumptions. This work utilizes real-world EV driving and charging data to train interpretable models that describe charging behavior and quantify the factors most associated with how drivers use charging infrastructure. This research underscores the need for interpretable, data-driven methodologies to inform future EV infrastructure planning and grid management.

29 - ENERGY PLANNING, POLICY AND ECONOMY↗

CosmoFlow: Using Deep Learning to Learn the Universe at Scale

Deep learning is a promising tool to determine the physical model that describes our universe. To handle the considerable computational cost of this problem, we present CosmoFlow: a highly scalable deep learning application built on top of the TensorFlow framework. CosmoFlow uses efficient implementations of 3D convolution and pooling primitives, together with improvements in threading for many element-wise operations, to improve training performance on Intel ® Xeon Phi™ processors. We also utilize the Cray PE Machine Learning Plugin for efficient scaling to multiple nodes. We demonstrate fully synchronous data-parallel training on 8192 nodes of Cori with 77% parallel efficiency, achieving 3.5 Pflop/s sustained performance. To our knowledge, this is the first large-scale science application of the TensorFlow framework at supercomputer scale with fully-synchronous training. Here, these enhancements enable us to process large 3D dark matter distribution and predict the cosmological parameters Ω M , σ 8 and n s with unprecedented accuracy.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

A program to generate simulated radioxenon beta–gamma data for concentration verification and validation and training exercises

Abstract Several hundred simulated radioxenon beta-gamma data files were developed to assist in evaluating the performance and results from radioxenon concentration calculation analysis at the International Data Center (IDC) and other National Data Centers (NDC). PNNL developed a Beta-Gamma Simulator (BGSim) that incorporated GEANT-modeled data sets from radioxenon decay chains, as well as functionality to use nuclear detector-acquired data sets to create new beta-gamma spectra with varying amounts of background, 133Xe, 131mXe, 133mXe, 135Xe, and 222Rn and its decay products. The program has been implemented on a web-based applications platform and allows the user to create very specific data sets that incorporate most of the operational parameters for the current beta-gamma systems deployed in the International Monitoring System (IMS) and the On-site Inspection (OSI) equipment. After an initial beta-gamma simulations program was developed, additional uses began to be identified for the program output: training sets of two-dimensional spectra for data analysts at the IDC and other NDC, spectra for exercises such as the Integrated Field Exercise 2014 (IFE14) held in Jordan at the Dead Sea, and testing new analysis methods and algorithms

custom datasets↗

PPINN: Parareal physics-informed neural network for time-dependent PDEs

Physics-informed neural networks (PINNs) encode physical conservation laws and prior physical knowledge into the neural networks, ensuring the correct physics is represented accurately while alleviating the need for supervised learning to a great degree. While effective for relatively short-term time integration, when long time integration of the time-dependent PDEs is sought, the time–space domain may become arbitrarily large and hence training of the neural network may become prohibitively expensive. To this end, we develop a parareal physics-informed neural network (PPINN), hence decomposing a long-time problem into many independent short-time problems supervised by an inexpensive/fast coarse-grained (CG) solver. In particular, the serial CG solver is designed to provide approximate predictions of the solution at discrete times, while initiate many fine PINNs simultaneously to correct the solution iteratively. There is a two-fold benefit from training PINNs with small-data sets rather than working on a large-data set directly, i.e., training of individual PINNs with small-data is much faster, while training the fine PINNs can be readily parallelized. Consequently, compared to the original PINN approach, the proposed PPINN approach may achieve a significant speed-up for long-time integration of PDEs, assuming that the CG solver is fast and can provide reasonable predictions of the solution, hence aiding the PPINN solution to converge in just a few iterations. To investigate the PPINN performance on solving time-dependent PDEs, we first apply the PPINN to solve the Burgers equation, and subsequently we apply the PPINN to solve a two-dimensional nonlinear diffusion–reaction equation. Furthermore, our results demonstrate that PPINNs converge in a few iterations with significant speed-ups proportional to the number of time-subdomains employed.

42 ENGINEERING↗

ANI-1: an extensible neural network potential with DFT accuracy at force field computational cost

Deep learning is revolutionizing many areas of science and technology, especially image, text, and speech recognition. In this paper, we demonstrate how a deep neural network (NN) trained on quantum mechanical (QM) DFT calculations can learn an accurate and transferable potential for organic molecules. We introduce ANAKIN-ME (Accurate NeurAl networK engINe for Molecular Energies) or ANI for short. ANI is a new method designed with the intent of developing transferable neural network potentials that utilize a highly-modified version of the Behler and Parrinello symmetry functions to build single-atom atomic environment vectors (AEV) as a molecular representation. AEVs provide the ability to train neural networks to data that spans both configurational and conformational space, a feat not previously accomplished on this scale. We utilized ANI to build a potential called ANI-1, which was trained on a subset of the GDB databases with up to 8 heavy atoms in order to predict total energies for organic molecules containing four atom types: H, C, N, and O. To obtain an accelerated but physically relevant sampling of molecular potential surfaces, we also proposed a Normal Mode Sampling (NMS) method for generating molecular conformations. Through a series of case studies, we show that ANI-1 is chemically accurate compared to reference DFT calculations on much larger molecular systems (up to 54 atoms) than those included in the training data set.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Monotonic Gaussian Process for Physics-Constrained Machine Learning With Materials Science Applications

Physics-constrained machine learning is emerging as an important topic in the field of machine learning for physics. One of the most significant advantages of incorporating physics constraints into machine learning methods is that the resulting model requires significantly less data to train. By incorporating physical rules into the machine learning formulation itself, the predictions are expected to be physically plausible. Gaussian process (GP) is perhaps one of the most common methods in machine learning for small datasets. In this paper, we investigate the possibility of constraining a GP formulation with monotonicity on three different material datasets, where one experimental and two computational datasets are used. The monotonic GP is compared against the regular GP, where a significant reduction in the posterior variance is observed. The monotonic GP is strictly monotonic in the interpolation regime, but in the extrapolation regime, the monotonic effect starts fading away as one goes beyond the training dataset. Imposing monotonicity on the GP comes at a small accuracy cost, compared to the regular GP. The monotonic GP is perhaps most useful in applications where data are scarce and noisy, and monotonicity is supported by strong physical evidence.

36 MATERIALS SCIENCE↗

APOGEE Net: Improving the Derived Spectral Parameters for Young Stars through Deep Learning

Machine learning allows for efficient extraction of physical properties from stellar spectra that have been obtained by large surveys. The viability of machine-learning approaches has been demonstrated for spectra covering a variety of wavelengths and spectral resolutions, but most often for main-sequence (MS) or evolved stars, where reliable synthetic spectra provide labels and data for training. Spectral models of young stellar objects (YSOs) and low-mass MS stars are less well-matched to their empirical counterparts, however, posing barriers to previous approaches to classify spectra of such stars. In this work, we generate labels for YSOs and low-mass MS stars through their photometry. We then use these labels to train a deep convolutional neural network to predict logg, T {sub eff}, and Fe/H for stars with Apache Point Observatory Galactic Evolution Experiment (APOGEE) spectra in the DR14 data set. This “APOGEE Net” has produced reliable predictions of logg for YSOs, with uncertainties of within 0.1 dex and a good agreement with the structure indicated by pre-MS evolutionary tracks, and it correlates well with independently derived stellar radii. These values will be useful for studying pre-MS stellar populations to accurately diagnose membership and ages.

79 ASTRONOMY AND ASTROPHYSICS↗

The Official Website of the U.S. Department of Energy's Nuclear Criticality Safety Program

The U.S. Department of Energy (DOE) Nuclear Criticality Safety Program (NCSP) mission is to provide sustainable expert leadership, direction, and the technical infrastructure necessary to develop, maintain, and disseminate the essential technical tools, training, and data to support safe, efficient fissionable material operations within the DOE. The NCSP Website site makes a variety of information available to the criticality safety practitioner, including reference materials, training modules and links to related sites. It assists criticality safety personnel to keep abreast of NCSP activities or current developments in criticality safety via a "What’s New" section within the Website. Convenient access to the many useful features of the Website is available via drop-down menus. The Website is also available to non-DOE and international professionals tasked with ensuring safe operations involving fissionable nuclear materials.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗