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At least 433 records · Page 24

ML-based Dimension Reduction Strategies

Deep learning (DL)--based surrogate models have achieved success in various applications in carbon capture and storage (CCS). However, the model training on high-dimensional spaces is computationally expensive and impractical for large-scale and complex geological models, because the models usually contain hundreds of thousands to millions of grid cells, each with a set of parameters. Furthermore, the high cost of generating training data with sufficient variation is another limitation of model training on high-dimensional spaces, which may result in overfitting and reduce the model efficiency and prediction performance. We proposed the workflow incorporating dimension reduction methods and deep learning models, which aim to extract the latent variables of input parameters and output state variables, and then build the mapping function at the latent spaces. The proposed workflow can significantly reduce the computational complexity in solving both forward and inverse problems compared to models trained on high-dimensional spaces. Dimensionality reduction models showed great potential in workflows for fast reservoir simulation, history matching, prior model generation, visualization, and more, ultimately enhancing DL model performance in related SMART Work Packages.

Hosseini, Seyyed↗

Analysis of SSEM Sensor Data Using BEAM

A report describes analysis of space shuttle main engine (SSME) sensor data using Beacon-based Exception Analysis for Multimissions (BEAM) [NASA Tech Briefs articles, the two most relevant being Beacon-Based Exception Analysis for Multimissions (NPO- 20827), Vol. 26, No.9 (September 2002), page 32 and Integrated Formulation of Beacon-Based Exception Analysis for Multimissions (NPO- 21126), Vol. 27, No. 3 (March 2003), page 74] for automated detection of anomalies. A specific implementation of BEAM, using the Dynamical Invariant Anomaly Detector (DIAD), is used to find anomalies commonly encountered during SSME ground test firings. The DIAD detects anomalies by computing coefficients of an autoregressive model and comparing them to expected values extracted from previous training data. The DIAD was trained using nominal SSME test-firing data. DIAD detected all the major anomalies including blade failures, frozen sense lines, and deactivated sensors. The DIAD was particularly sensitive to anomalies caused by faulty sensors and unexpected transients. The system offers a way to reduce SSME analysis time and cost by automatically indicating specific time periods, signals, and features contributing to each anomaly. The software described here executes on a standard workstation and delivers analyses in seconds, a computing time comparable to or faster than the test duration itself, offering potential for real-time analysis.

Zak, Michail↗

Using High Frequency Passive Microwave, A-train, and TRMM Data to Evaluate Hydrometer Structure in the NASA GEOS-5 Data Assimilation System

Validating water vapor and prognostic condensate in global models remains a challenging research task. Model parameterizations are still subject to a large number of tunable parameters; furthermore, accurate and representative in situ observations are very sparse, and satellite observations historically have significant quantitative uncertainties. Progress on improving cloud / hydrometeor fields in models stands to benefit greatly from the growing inventory ofA-Train data sets. ill the present study we are using a variety of complementary satellite retrievals of hydrometeors to examine condensate produced by the emerging NASA Modem Era Retrospective Analysis for Research and Applications, MERRA, and its associated atmospheric general circulation model GEOS5. Cloud and precipitation are generated by both grid-scale prognostic equations and by the Relaxed Arakawa-Schubert (RAS) diagnostic convective parameterization. The high frequency channels (89 to 183.3 GHz) from AMSU-B and MRS on NOAA polar orbiting satellites are being used to evaluate the climatology and variability of precipitating ice from tropical convective anvils. Vertical hydrometeor structure from the Tropical Rainfall Measuring Mission (TRMM) and CloudSat radars are used to develop statistics on vertical hydrometeor structure in order to better interpret the extensive high frequency passive microwave climatology. Cloud liquid and ice water path data retrieved from the Moderate Resolution Imaging Spectroradiometer, MODIS, are used to investigate relationships between upper level cloudiness and tropical deep convective anvils. Together these data are used to evaluate cloud / ice water path, gross aspects of vertical hydrometeor structure, and the relationship between cloud extent and surface precipitation that the MERRA reanalysis must capture.

Robertson, Franklin↗

High dimensional binary classification under label shift: phase transition and regularization

Label Shift has been widely believed to be harmful to the generalization performance of machine learning models. Researchers have proposed many approaches to mitigate the impact of the label shift, e.g., balancing the training data. However, these methods often consider the underparametrized regime, where the sample size is much larger than the data dimension. The research under the overparametrized regime is very limited. Here, to bridge this gap, we propose a new asymptotic analysis of the Fisher Linear Discriminant classifier for binary classification with label shift. Specifically, we prove that there exists a phase transition phenomenon: Under certain overparametrized regime, the classifier trained using imbalanced data outperforms the counterpart with reduced balanced data. Moreover, we investigate the impact of regularization to the label shift: The aforementioned phase transition vanishes as the regularization becomes strong.

binary classification↗

A machine learning estimator trained on synthetic data for real-time earthquake ground-shaking predictions in Southern California

Abstract After large-magnitude earthquakes, a crucial task for impact assessment is to rapidly and accurately estimate the ground shaking in the affected region. To satisfy real-time constraints, intensity measures are traditionally evaluated with empirical Ground Motion Models that can drastically limit the accuracy of the estimated values. As an alternative, here we present Machine Learning strategies trained on physics-based simulations that require similar evaluation times. We trained and validated the proposed Machine Learning-based Estimator for ground shaking maps with one of the largest existing datasets (<100M simulated seismograms) from CyberShake developed by the Southern California Earthquake Center covering the Los Angeles basin. For a well-tailored synthetic database, our predictions outperform empirical Ground Motion Models provided that the events considered are compatible with the training data. Using the proposed strategy we show significant error reductions not only for synthetic, but also for five real historical earthquakes, relative to empirical Ground Motion Models.

Environmental Sciences & Ecology↗

Layer-wise Imaging Dataset from Powder Bed Additive Manufacturing Processes for Machine Learning Applications (Peregrine v2022-10.1)

This release consists of six datasets which together include multi-modal layer-wise powder bed images from two different powder bed printing technologies. These datasets are designed primarily to facilitate the development and testing of new computer vision and machine learning based anomaly and defect detection algorithms. The authors provide both training data with corresponding ground truth pixel masks and evaluation data with corresponding baseline prediction pixel masks made by a trained neural network. The laser powder bed fusion (L-PBF) datasets are sourced from EOS M290 and AddUp FormUp 350 printers and the binder jet (BJ) dataset is sourced from an ExOne M-Flex printer. The materials represented in these datasets include 17-4 PH Stainless Steel, GammaPrint-700, Inconel 718, Maraging Steel, and H13 Steel. The sensor imaging modalities represented include visible-light (VL), temporally-integrated (i.e., long duration exposure) near-infrared (TI-NIR), and wide-band infrared (IR). To download the dataset: (1) Create a Globus account. (2) Create a Globus Endpoint on your computer. (3) Transfer the dataset from the OLCF DOI-DOWNLOADS Collection to your Collection. Common troubleshooting steps: (a) Confirm that the transfer is going from OLCF DOI-DOWNLOADS to your Collection. (b) Create an exception for Globus in your antivirus software so that it can create an Endpoint. (c) Manually create a Globus access directory (where the data will be downloaded) by going to the Preferences > Access tab.

36 MATERIALS SCIENCE↗

Improving Trustworthiness of Data-Driven Power Grid Contingency Analysis With Bayesian Residual Graph Neural Networks

The evolving energy landscape requires novel tools to efficiently perform contingency analysis and reliability assessment of power grids, potentially in real-time. The high computational cost of traditional power flow solvers limits their applicability in practice. Machine learning (ML) surrogates such as deep neural networks (NNs) accelerate power flow solvers computations, enabling high-order contingency analysis and real-time decision-making by learning highly nonlinear functions and integrating grid topology via graph architectures. However, (graph) NNs lack predictive power away from training data and do not provide predictive confidence estimates. Here, we present a Bayesian residual graph NN that integrates knowledge from low-fidelity data via residual training and embeds granular quantification of uncertainties, improving trustworthiness critical for high-consequence decision-making. Applying Bayesian concepts to NNs is challenging due to the high-dimensionality of both the parameter space, complicating derivation of a meaningful prior, and the output space in large grid systems, requiring enhanced techniques to assess the predicted high-dimensional uncertainties. Our contributions include: (1) Deriving a prior for fully connected and graph NNs that leverages low-fidelity data to guide mean predictions and appropriately control prior predictive uncertainty. (2) Integrating this prior within an ensembling with anchoring scheme for efficient approximate posterior inference. (3) Deriving enhanced metrics to assess accuracy of both the mean and uncertainty predictions in high dimensions, appropriately accounting for correlations propagated through graph layers. The resulting Bayesian residual graph NN is tested on a contingency analysis task for 14-bus and 118-bus grids.

24 - POWER TRANSMISSION AND DISTRIBUTION↗

2021 Smoky Mountains Conference Data Challenge Synthetic-to-Real Domain Adaptation for Autonomous Driving Dataset

The dataset is comprised of both real and synthetic images from a vehicle's forward-facing camera. Each camera image is accompanied by a corresponding pixel-level semantic segmentation image (all files are .png files). In total, the dataset contains 5600 images in the training/validation set and 1400 images in the testing set. The training dataset contains mostly synthetic RGB images collected with a wide range of weather and lighting conditions using the CARLA simulator [1]. In addition, the training data also includes a small pre-selected subset of data from the Cityscapes training dataset – which is comprised of RGB-segmentation image pairs from driving scenarios in various European cities [2]. The testing data is split into three sets. The first set contains synthetic CARLA images with weather/lighting conditions that were not present in the training set. The second set is a subset of the Cityscapes testing dataset. Finally, the third set is an unknown testing set which will not be revealed to the participants until after the submission deadline. [1] Dosovitskiy, A., Ros, G., Codevilla, F., Lopez, A., and Koltun, V. (2017, October). CARLA: An open urban driving simulator. In Conference on robot learning (pp. 1-16). PMLR. [2] Cordts, M., Omran, M., Ramos, S., Rehfeld, T., Enzweiler, M., Benenson, R., ... and Schiele, B. (2016). The cityscapes dataset for semantic urban scene understanding. In Proceedings of the IEEE conference on computer vision and pattern recognition (pp. 3213-3223).

99 GENERAL AND MISCELLANEOUS↗

Investigating the influence of particle distribution on force and torque statistics using hierarchical machine learning

An accurate representation of hydrodynamic force and torque experienced by every particle in a distribution can be obtained from particle resolved (PR) simulations. These unique quantities are influenced by the deterministic position of surrounding particles. However, systems simulated with this methodology are typically limited to particles due to the involved computational cost. This resource requirement is a major bottleneck in analyzing the effect of variations in particle distribution. Here, this article attempts to address this bottleneck by availing relatively inexpensive deep learning models. The surrogate models that we employ in this article use a physics‐based hierarchical framework and symmetry‐preserving neural networks to achieve robustness with limited training data. This article first performs additional generalizability tests on PR data of distinct distributions that are not involved in the training process. The models are then deployed on several different particle distributions. Impact of clustering and structure on the observed statistics are investigated.

42 ENGINEERING↗

Active learning of reactive Bayesian force fields applied to heterogeneous catalysis dynamics of H/Pt

Abstract Atomistic modeling of chemically reactive systems has so far relied on either expensive ab initio methods or bond-order force fields requiring arduous parametrization. Here, we describe a Bayesian active learning framework for autonomous “on-the-fly” training of fast and accurate reactive many-body force fields during molecular dynamics simulations. At each time-step, predictive uncertainties of a sparse Gaussian process are evaluated to automatically determine whether additional ab initio training data are needed. We introduce a general method for mapping trained kernel models onto equivalent polynomial models whose prediction cost is much lower and independent of the training set size. As a demonstration, we perform direct two-phase simulations of heterogeneous H 2 turnover on the Pt(111) catalyst surface at chemical accuracy. The model trains itself in three days and performs at twice the speed of a ReaxFF model, while maintaining much higher fidelity to DFT and excellent agreement with experiment.

42 ENGINEERING↗

J-PLUS: Support vector regression to measure stellar parameters

Stellar parameters are among the most important characteristics in studies of stars which, in traditional methods, are based on atmosphere models. However, time, cost, and brightness limits restrain the efficiency of spectral observations. The Javalambre Photometric Local Universe Survey (J-PLUS) is an observational campaign that aims to obtain photometry in 12 bands. Owing to its characteristics, J-PLUS data have become a valuable resource for studies of stars. Machine learning provides powerful tools for efficiently analyzing large data sets, such as the one from J-PLUS, and enables us to expand the research domain to stellar parameters. The main goal of this study is to construct a support vector regression (SVR) algorithm to estimate stellar parameters of the stars in the first data release of the J-PLUS observational campaign. The training data for the parameter's regressions are featured with 12-waveband photometry from J-PLUS and are crossidentified with spectrum-based catalogs. These catalogs are from the Large Sky Area Multi-Object Fiber Spectroscopic Telescope, the Apache Point Observatory Galactic Evolution Experiment, and the Sloan Extension for Galactic Understanding and Exploration. We then label them with the stellar effective temperature, the surface gravity, and the metallicity. Ten percent of the sample is held out to apply a blind test. We develop a new method, a multi-model approach, in order to fully take into account, the uncertainties of both the magnitudes and the stellar parameters. The method utilizes more than 200 models to apply the uncertainty analysis. We present a catalog of 2 493 424 stars with the root mean square error of 160 K in the effective temperature regression, 0.35 in the surface gravity regression, and 0.25 in the metallicity regression. We also discuss the advantages of this multi-model approach and compare it to other machine-learning methods.

79 ASTRONOMY AND ASTROPHYSICS↗

Clustering-Based Predictive Analytics to Improve Scientific Data Discovery

Given the sheer volume of scientific data archived within the data-intensive projects at the US Department of Energy's Oak Ridge National Laboratory, finding precisely what data we are looking for may not be a trivial task; conversely, we may also miss a more prominent data product. To address such issues, we propose improving the data discovery system and using data analytics methods to comprehend what specific users might be interested in based on their physiological state, search patterns, and past data usage history. This work's primary goal is to prune the complexity, increase the visibility of popular data products, and direct users toward the data that best meet their needs. The proposed algorithm constructs a user profile based on the user's explicit or implicit interactions with the system, such as items they are currently looking at on-site and the key metadata mappings related to the data set. The pattern is then used to build a training data set, which will help find relevant data to recommend to the user.

Devarakonda, Ranjeet↗

Using Bayesian Inference Framework towards Identifying Gas Species and Concentration from High Temperature Resistive Sensor Array Data

High temperature gas sensors have been highly demanded for combustion process optimization and toxic emissions control, which usually suffer from poor selectivity. In order to solve this selectivity issue and identify unknown reducing gas species (CO, CH 4 , and CH 8 ) and concentrations, a high temperature resistive sensor array data set was built in this study based on 5 reported sensors. As each sensor showed specific responses towards different types of reducing gas with certain concentrations, based on which calibration curves were fitted, providing benchmark sensor array response database, then Bayesian inference framework was utilized to process the sensor array data and build a sample selection program to simultaneously identify gas species and concentration, by formulating proper likelihood between input measured sensor array response pattern of an unknown gas and each sampled sensor array response pattern in benchmark database. This algorithm shows good robustness which can accurately identify gas species and predict gas concentration with a small error of less than 10% based on limited amount of experiment data. These features indicate that Bayesian probabilistic approach is a simple and efficient way to process sensor array data, which can significantly reduce the required computational overhead and training data.

Liu, Yixin↗

Layer-wise Imaging Dataset from Powder Bed Additive Manufacturing Processes for Machine Learning Applications (Peregrine v2022-10)

This release consists of six datasets which together include multi-modal layer-wise powder bed images from two different powder bed printing technologies. These datasets are designed primarily to facilitate the development and testing of new computer vision and machine learning based anomaly and defect detection algorithms. The authors provide both training data with corresponding ground truth pixel masks and evaluation data with corresponding baseline prediction pixel masks made by a trained neural network. The laser powder bed fusion (L-PBF) datasets are sourced from EOS M290 and AddUp FormUp 350 printers and the binder jet (BJ) dataset is sourced from an ExOne M-Flex printer. The materials represented in these datasets include 17-4 PH Stainless Steel, DMREF, Inconel 718, Maraging Steel, and H13 Steel. The sensor imaging modalities represented include visible-light (VL), temporally-integrated (i.e., long duration exposure) near-infrared (TI-NIR), and wide-band infrared (IR).

36 MATERIALS SCIENCE↗

Pangeo-Enabled ESM Pattern Scaling (PEEPS): A customizable dataset of emulated Earth System Model output

Emulation through pattern scaling is a well-established method of rapidly producing climate fields (like temperature or precipitation) from existing Earth System Model (ESM) output that, while inaccurate, is often useful for a variety of downstream purposes. Conducting pattern scaling has historically been a laborious process, in large part due to the increasing volume of ESM output data that has often required downloading and storing locally to train on. Here we describe the Pangeo-Enabled ESM Pattern Scaling (PEEPS) dataset, a repository of trained annual and monthly patterns from CMIP6 outputs. This manuscript describes and validates these updated patterns so that users can save effort calculating and reporting error statistics in manuscripts focused on the use of patterns. The trained patterns are available as NetCDF files on Zenodo for ease of use in the impact community, and are reproducible with the code provided via GitHub in both Jupyter notebook and Python script formats. Because all training data for the PEEPS data set is cloud-based, users do not need to download and house the ESM output data to reproduce the patterns in the zenodo archive, should that be more efficient. Validating the PEEPS data set on the CMIP6 archive for annual and monthly temperature, precipitation, and near-surface relative humidity, pattern scaling performs well over a variety of future scenarios except for regions in which there are strong, potentially nonlinear climate feedbacks. Although pattern scaling is normally conducted on annual mean ESM output data, it works equally well on monthly mean ESM output data. We identify several downstream applications of the PEEPS data set, including impacts assessment and evaluating certain types of Earth system uncertainties.

54 ENVIRONMENTAL SCIENCES↗

Enhancing Data Quality Monitoring at CMS with Interactive Visualization Tools and Automated Reference Run Selection

Current data quality monitoring (DQM) tools at CMS offer granularity limited to per-run analysis. Consequently, issues manifesting at the per-lumisection level can go unnoticed or, even if detectable, often lead to the classification of the whole run as bad, resulting in unnecessary data loss. Additionally, shifters have to evaluate a large set of monitoring elements during their long shifts, increasing the probability of human errors or overlooked problems. In this contribution, we present ongoing work on the development of tools that will provide shifters with an accessible, granularity-enhanced view of DQM data through interactive and dynamic visualizations. Furthermore, we introduce a reference run selection tool currently under development, which will automate the selection based on data-taking conditions and will offer a curated set of training data for machine learning models that will be used for the partial automation of the offline data certification process. These endeavors will be integrated into the DIALS website, enabling enhancements in data certification accuracy and improving the accessibility of DQM at CMS.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Synthetic Infrasound Data for Machine Learning Detectors

Synthetic data is a powerful tool to generate large amounts of training data for machine learning models. The methods outlined in this report will be used to retrain the deep learning classifier for increased accuracy. Synthetic data will be useful to address the natural class imbalance between the different categories in the original ML work. Additionally, these tools will be applied for a variety of signal analysis methods that would use signals with a known signal-to-noise ratio for validation and testing.

58 GEOSCIENCES↗

Analysis of the Westland Data Set

The "Westland" set of empirical accelerometer helicopter data with seeded and labeled faults is analyzed with the aim of condition monitoring. The autoregressive (AR) coefficients from a simple linear model encapsulate a great deal of information in a relatively few measurements; and it has also been found that augmentation of these by harmonic and other parameters call improve classification significantly. Several techniques have been explored, among these restricted Coulomb energy (RCE) networks, learning vector quantization (LVQ), Gaussian mixture classifiers and decision trees. A problem with these approaches, and in common with many classification paradigms, is that augmentation of the feature dimension can degrade classification ability. Thus, we also introduce the Bayesian data reduction algorithm (BDRA), which imposes a Dirichlet prior oil training data and is thus able to quantify probability of error in all exact manner, such that features may be discarded or coarsened appropriately.

Wen, Fang↗