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At least 685 records · Page 38

Towards Automated/Semiautomated Extraction of Faults from Lidar Data

The Pajarito fault system is a complex zone of deformation and a seismically active region nestled within the Rio Grande rift in north-central New Mexico. Numerous laterally discontinuous faults and associated folds and fractures interact in a manner that has important implications for seismic hazards and risk mitigation. Previous efforts have established a foundation for the location of lineaments and structures in the Pajarito fault system; however, ensuring the completeness of the current lineament mapping is required for identifying areas for field validation, evaluating the potential for future seismic activity, and better understanding fault interaction. Assistance with this fault-mapping task via automated or semiautomated techniques as applied to lidar data over a large area of interest is highly desirable. A proof-of-concept processing flow which transforms lidar point-cloud data into a raster of surficial fault candidates is described and illustrated herein. We report these initial results hold great promise toward achieving our ultimate goal.

58 GEOSCIENCES↗

Open Reproducible Electron Microscopy Data Analysis

Electron microscopy (EM) is a cornerstone technique in the materials and biological sciences capable of imaging structures at nano- to atomic-scale resolution. Advances in technologies mean that one acquires datasets at increasing data rates and sizes. These advancements present enormous opportunities for researchers to understand complex systems. However, processing the resulting large-scale, complex data in a reproducible and shareable way is a real challenge for researchers. The building, managing, and maintaining complex workflows in a reproducible manner requires extensive knowledge in several areas outside the researchers’ core skill sets, such as software engineering, data science, and high-performance computing (HPC). Our work demonstrates an innovative approach to solving these problems, enabling reproducible EM data analysis through container encapsulated pipelines. Using modern container technologies, we encapsulate processing elements and connect them using shared memory. We expose user-friendly, advanced algorithms and tools to allow end users to utilize without expert programming skills. The platform enables reproducible, scalable, shareable pipelines for the analysis and visualization of EM data. Focusing on interoperability, we leverage the DOE and other agencies’ existing investments to provide a powerful software platform for EM data analysis.

Harris, Christopher↗

Performance Prediction of Big Data Transfer Through Experimental Analysis and Machine Learning

Big data transfer in next-generation scientific ap- plications is now commonly carried out over connections with guaranteed bandwidth provisioned in High-performance Net- works (HPNs) through advance bandwidth reservation. To use HPN resources efficiently, provisioning agents need to carefully schedule data transfer requests and allocate appropriate band- widths. Such reserved bandwidths, if not fully utilized by the requesting user, could be simply wasted or cause extra overhead and complexity in management due to exclusive access. This calls for the capability of performance prediction to reserve bandwidth resources that match actual needs. Towards this goal, we employ machine learning algorithms to predict big data transfer perfor- mance based on extensive performance measurements, which are collected over a span of several years from a large number of data transfer tests using different protocols and toolkits between various end sites on several real-life physical or emulated HPN testbeds. We first identify a comprehensive list of attributes involved in a typical big data transfer process, including end host system configurations, network connection properties, and control parameters of data transfer methods. We then conduct an in-depth exploratory analysis of their impacts on application- level throughput, which provides insights into big data transfer performance and motivates the use of machine learning. We also investigate the applicability of machine learning algorithms and derive their general performance bounds for performance prediction of big data transfer in HPNs. Experimental results show that, with appropriate data preprocessing, the proposed machine learning-based approach achieves 95% or higher pre- diction accuracy in up to 90% of the cases with very noisy real-life performance measurements.

Yun, Daqing↗

MSD CoP Webinar: AI and Extreme Events - Overcoming Data Challenges for Improved Characterization of Climate Extremes

Context: This webinar was hosted by the MultiSector Dynamics Community of Practice (MSD CoP; https://multisectordynamics.org). Abstract: Artificial Intelligence (AI) models require large volumes of data for training and testing. Data requirements present challenges for using AI to explore extreme events with limited observational data. This webinar will showcase two innovative methods developed by part of the European Climate Intelligence (CLINT) project to overcome data challenges and harness AI to improve our understanding of climate extremes. Dr. Ascenso will present his research on data augmentation methods to improve estimates of tropical cyclones using satellite data. His presentation will review established methods for data augmentation and explore opportunities and challenges for using generative AI to generate images of extreme, life-threatening tropical cyclones. Next, Dr. Plesiat will present his research on deep learning techniques to overcome limited observational data sets. His presentation will illustrate deep learning methods to develop AI reconstructions of four climate indices across Europe. Presenters : Dr. Guido Ascenso (post-doctoral researcher, Politecnico di Milano); Dr. Étienne Plésiat (German Climate Computing Centre - DKRZ) Moderator(s): Stefano Galelli (MSD CoP WG Co-Lead), David Gold (MSD CoP WG Co-Lead), Jillian Sturtevant (MSD CoP WG Communications Officer), Matteo Giuliani (Politecnico di Milano, MSD CoP WG Member, Moderator and Organizer) This webinar was held on: October 11, 2024 from 11AM - 1PM ET

AI↗

Scaling Ensembles of Data-Intensive Quantum Chemical Calculations for Millions of Molecules

Deep learning models are efficient computational tools that can accelerate the inverse design of molecules with desired functional properties by generating predictions at a fraction of the time required by traditional quantum chemical approaches. To ensure that a model maintains accuracy and transferability across broad regions of the chemical space explored during the inverse design, it must be trained on massively large volumes of simulation data. This requires running large-scale ensemble quantum chemical calculations on high-performance computing (HPC) systems for data collection. However, the efficient execution of such large ensemble calculations and the management of large volumes of output data require tools that can judiciously utilize computational resources and manage metadata overhead on the file system. Therefore, we present a high-performance, scalable, ensemble management framework for performing data-intensive quantum chemical electronic structure calculations for organic molecules. This framework provides abstractions to plug different ab initio, first principles, and first principles-based semi-empirical methods and executes them efficiently at large scale on HPC systems. It dynamically distributes tasks to resources and uses tiered storage for managing large collections of files. We employed this framework to process over ten million organic molecules and generate open-source datasets that provide UV-vis absorption spectra by running time-dependent density-functional tight-binding calculations. It is the largest database containing molecular optical spectra that were simulated with quantum chemical methods in a consistent manner.

Mehta, Kshitij↗

Real-time data reduction at 100 Tbps: Challenge and opportunity for AI-based data reduction for next-generation large-scale nuclear physics collider experiment

The modern large-scale nuclear physics (NP) experiments in high-energy particle colliders utilize streaming-readout electronics to digitize detector response at O(100) Tbps bandwidth. Prominent examples at Brookhaven National Lab (BNL) include the sPHENIX experiment at Relativistic Heavy Ion Collider (RHIC), which is under construction, and the experiments proposed for the Electron-Ion Collider (EIC), planned for the 2030s . One of the main challenges for these streaming readout systems is to manage the data rate with sufficient data reduction in real time so the end-data fit persistent storage for offline analysis, which is typically at O(1000) times smaller and O(100) Gbps. Such data reduction traditionally is achieved via real-time high level triggers, which select and save a small subset of collisions of interest. Although triggering is applicable to high energy collider experiments such as those at the Large Hardron Collider at CERN, it is insufficient for these nuclear physics experiments which study diverse collision topologies. And traditional triggering approach is inefficient to preserve the max information harvested from the operation of colliders that costs O(100)M per year to DOE. Meanwhile, in recent years, ML-based high-throughput data reduction has emerged as a promising approach to efficiently preserve max information for a given space of persistent storage, e.g. via AI data compression, feature extraction, and noise filtering.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Maintaining Trust in Reduction: Preserving the Accuracy of Quantities of Interest for Lossy Compression

As the growth of data sizes continues to outpace computational resources, there is a pressing need for data reduction techniques that can significantly reduce the amount of data and quantify the error incurred in compression. Compressing scientific data presents many challenges for reduction techniques since it is often on non-uniform or unstructured meshes, is from a high-dimensional space, and has many Quantities of Interests (QoIs) that need to be preserved. To illustrate these challenges, we focus on data from a large scale fusion code, XGC. XGC uses a Particle-In-Cell (PIC) technique which generates hundreds of PetaBytes (PBs) of data a day, from thousands of timesteps. XGC uses an unstructured mesh, and needs to compute many QoIs from the raw data, f.One critical aspect of the reduction is that we need to ensure that QoIs derived from the data (density, temperature, flux surface averaged momentums, etc.) maintain a relative high accuracy. We show that by compressing XGC data on the high-dimensional, nonuniform grid on which the data is defined, and adaptively quantizing the decomposed coefficients based on the characteristics of the QoIs, the compression ratios at various error tolerances obtained using a multilevel compressor (MGARD) increases more than ten times. We then present how to mathematically guarantee that the accuracy of the QoIs computed from the reduced f is preserved during the compression. We show that the error in the XGC density can be kept under a user-specified tolerance over 1000 timesteps of simulation using the mathematical QoI error control theory of MGARD, whereas traditional error control on the data to be reduced does not guarantee the accuracy of the QoIs.

Gong, Qian↗

Parameter inference from event ensembles and the top-quark mass

One of the key tasks of any particle collider is measurement. In practice, this is often done by fitting data to a simulation, which depends on many parameters. Sometimes, when the effects of varying different parameters are highly correlated, a large ensemble of data may be needed to resolve parameter-space degeneracies. An important example is measuring the top-quark mass, where other physical and unphysical parameters in the simulation must be profiled when fitting the top-quark mass parameter. We compare four different methodologies for top-quark mass measurement: a classical histogram fit similar to one commonly used in experiment augmented by soft-drop jet grooming; a 2D profile likelihood fit with a nuisance parameter; a machine-learning method called DCTR; and a linear regression approach, either using a least-squares fit or with a dense linearly-activated neural network. Despite the fact that individual events are totally uncorrelated, we find that the linear regression methods work most effectively when we input an ensemble of events sorted by mass, rather than training them on individual events. Although all methods provide robust extraction of the top-quark mass parameter, the linear network does marginally best and is remarkably simple. For the top study, we conclude that the Monte-Carlo-based uncertainty on current extractions of the top-quark mass from LHC data can be reduced significantly (by perhaps a factor of 2) using networks trained on sorted event ensembles. More generally, machine learning from ensembles for parameter estimation has broad potential for collider physics measurements.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Sharing is caring: An extensive analysis of parameter-based transfer learning for the prediction of building thermal dynamics

In recent years deep neural networks have been proposed as a lightweight data-driven model to capture high-dimensional, nonlinear physical processes to predict building thermal responses. However, the need of a large amount of data for the training process of deep neural networks clashes with the potential limited data availability in most existing or new buildings. Transfer learning aims to enhance the performance of a target learner exploiting knowledge from related and similar environments. This study conducted a suite of experiments that leveraged 250 data-driven models based on a synthetic dataset of a building archetype to study the influence of data availability, energy efficiency level, occupancy and climate for the transfer process of thermal dynamics. The performance of the transfer learning process was compared against a classical machine learning approach. Here, the results suggest that building thermal dynamics can be effectively transferred under the same climatic conditions, increasing performance when dealing with different occupancy schedules, efficiency levels and low data availability. Furthermore, the paper compares the performance of both transfer learning and machine learning approaches in an online fashion, to support the implementation in real-world deployment.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Rucio beyond ATLAS: experiences from Belle II, CMS, DUNE, EISCAT3D, LIGO/VIRGO, SKA, XENON

For many scientific projects, data management is an increasingly complicated challenge. The number of data-intensive instruments generating unprecedented volumes of data is growing and their accompanying workflows are becoming more complex. Their storage and computing resources are heterogeneous and are distributed at numerous geographical locations belonging to different administrative domains and organisations. These locations do not necessarily coincide with the places where data is produced nor where data is stored, analysed by researchers, or archived for safe long-term storage. To fulfil these needs, the data management system Rucio has been developed to allow the high-energy physics experiment ATLAS at LHC to manage its large volumes of data in an efficient and scalable way. But ATLAS is not alone, and several diverse scientific projects have started evaluating, adopting, and adapting the Rucio system for their own needs. As the Rucio community has grown, many improvements have been introduced, customisations have been added, and many bugs have been fixed. Additionally, new dataflows have been investigated and operational experiences have been documented. In this article we collect and compare the common successes, pitfalls, and oddities that arose in the evaluation efforts of multiple diverse experiments, and compare them with the ATLAS experience. This includes the high-energy physics experiments Belle II and CMS, the neutrino experiment DUNE, the scattering radar experiment EISCAT3D, the gravitational wave observatories LIGO and VIRGO, the SKA radio telescope, and the dark matter search experiment XENON.

Lassnig, Mario↗

Validity of Machine Learning in the Quantitative Analysis of Complex Scanning Near-Field Optical Microscopy Signals Using Simulated Data

Scattering-type scanning near-field optical microscope (s-SNOM) is a modern technique for subdiffractional optical imaging and spectroscopy. Over the past two decades, tremendous efforts have been devoted to modeling complex tip-sample interactions in s-SNOM, aimed at understanding the electrodynamics of materials at the nanoscale. However, due to complexities in analytical methods and the limited computation power for fully numerical simulations, compromises must be made to facilitate the modeling of tip-sample interaction, such as using quasistatic approximation or unrealistic tip geometries. Here, we apply a variety of widely utilized machine-learning methods, including k nearest neighbor and feedforward neural network etc. to study the phase-resolved spectroscopic near-field response. With only a small set of training data, which is simulated using the finite-dipole model, we demonstrate that the relation between the experimental near-field signal and sample optical constant can be one to one mapped without the need for tip modeling: for a given material with a moderate dielectric function, its complex near-field spectrum can be accurately determined within the mid-IR spectral range, and vice versa. Our preliminary study sets the stage for future exploration using real experimental data. Our method is beneficial for processing the increasing amount of data accumulated across many research groups and especially useful for user facilities such as synchrotron-based national laboratories where a large amount of data is generated on a daily basis.

36 MATERIALS SCIENCE↗

Real-Time Lossless Compression for Ultra-High-Density Synchrophasor and Point on Wave Data

Modern advanced Phasor Measurement Units (PMUs) are developed with ultra-high reporting rates to meet the demand for monitoring the power systems dynamics in detail. Due to the large volume of data, the communication and storage systems are seriously challenged with the presence of Ultra-High-Density (UHD) synchrophasor and Point on Wave (POW) data. Therefore, it is an urgent task to compress the UHD data for more efficient communication and data storage. This paper proposes several methods to compress the synchrophasor and POW data in a lossless manner. First, an Improved-Time-Series-Special Compression (ITSSC) method is proposed to compress the UHD frequency data. Second, a Delta-difference Huffman method is combined with the TSSC algorithm to compress the UHD phase angle data. Finally, a cyclical high-order delta modulation method is proposed to compress the UHD POW data. The proposed models are extensively tested and compared with different existing lossless compression algorithms using the field-collected synchrophasor and POW data at different reporting rates. The results indicate that the proposed algorithms are efficient in performing lossless compression for the UHD synchrophasor and POW data in real time.

42 ENGINEERING↗

W2VPCA: A Machine Learning Method for Measuring Attitudes With Natural Language

Company strategy influences many decisions in freight transportation. Behavioral models of company decision-making therefore could benefit from including strategy variables. However, strategy is difficult to observe and quantify. Attitudinal surveys of company executives can be used to collect measurements of latent strategy to use in quantitative models. However, surveys are costly and burdensome. Text mining methods to collect measurements overcome these issues somewhat, but typically require manual intervention and ignore the context of words, which can be problematic. This study introduces a new machine learning method to generate strategy measurement data from existing big text data. The new method, called W2VPCA, combines Natural Language Processing and Principal Components Analysis. W2VPCA produces measurement data that serve as quantitative indicators of latent strategy in behavioral models. W2VPCA is unsupervised, data-driven, and uses information on word context. We apply W2VPCA to generate measurements of latent strategies using readily available, large-scale text data: annual company reports. The empirical measurements are used successfully to associate two latent strategies, one focusing on distribution and the other on products, with truck fleet and distribution center outsourcing decisions. The main empirical outcome is that the W2VPCA measurements outperform Bag-of-Words measurements in a psychometric analysis of latent firm strategies. While this study focuses on freight behavioral models, W2VPCA may also have applications in behavioral modeling in other domains.

97 MATHEMATICS AND COMPUTING↗

Computer Model Calibration with Time Series Data Using Deep Learning and Quantile Regression

Computer models play a key role in many scientific and engineering problems. One major source of uncertainty in computer model experiments is input parameter uncertainty. Computer model calibration is a formal statistical procedure to infer input parameters by combining information from model runs and observational data. The existing standard calibration framework suffers from inferential issues when the model output and observational data are high-dimensional dependent data, such as large time series, due to the difficulty in building an emulator and the nonidentifiability between effects from input parameters and data-model discrepancy. To overcome these challenges, we, in this work, propose a new calibration framework based on a deep neural network (DNN) with long short-term memory layers that directly emulates the inverse relationship between the model output and input parameters. Adopting the “learning with noise” idea, we train our DNN model to filter out the effects from data-model discrepancy on input parameter inference. We also formulate a new way to construct interval predictions for DNN using quantile regression to quantify the uncertainty in input parameter estimates. Through a simulation study and real data application with the Weather Research and Forecasting Model Hydrological modeling system (WRF-Hydro), we show our approach can yield accurate point estimates and well-calibrated interval estimates for input parameters.

97 MATHEMATICS AND COMPUTING↗

Human Performance Analysis Depending on Operator Expertise (Student vs. Operator) and Simulator Complexity (Rancor Microworld vs. Compact Nuclear Simulator)

Human reliability analysis (HRA) evaluates human errors and provides human error probabilities (HEPs) for application in probabilistic safety assessment (PSA), which is a comprehensive safety assessment method for nuclear power plants (NPPs). Generally, HRA methods estimate HEPs based on human reliability data collected from actual historical measurement, simulator experiments, or expert judgement. Most recent HRA data collection studies focus on collecting data via full-scope main control room (MCR) simulators with actual licensed reactor operators. Contrary to this, Idaho National Laboratory (INL) has adopted a different approach, which attempts to collect HRA data based on experiment using simplified simulators and student participants by following the Simplified Human Error Experimental Program (SHEEP). This approach has a couple of advantages compared to full-scope data collection. Representatively, it has relatively low entry point for collecting HRA data, and secures large sample sizes with reasonable cost and labor. In the previous studies, we developed the SHEEP framework, then verified whether the data collected through the framework could support a representative full-scope data collection study, i.e., the Human Reliability Data Extraction (HuREX) study. Also, we analyzed human performance measurements depending on participant type (i.e., student vs. operator). In this paper, we analyze human performance data collected from an experiment comparing operator expertise and simulator complexity when using the more simplified simulator developed by INL, i.e., Rancor Microworld and the less simplified simulator, i.e., Compact Nuclear Simulator (CNS) developed by Korea Atomic Energy Research Institute (KAERI). Analysis of variance (ANOVA) tests and correlation analysis are used for analyzing the experimental data.

99 GENERAL AND MISCELLANEOUS↗

Brownian bridge-based speed imputation technique for truck energy consumption and emissions estimation

The available truck Global Positioning System (GPS) data, typically collected with large time gaps, rely on imputation techniques to obtain second-by-second data that are required in models for estimating truck energy consumption and emissions. However, existing speed imputation techniques either require a large amount of high-resolution data for model training or rely on special movement assumptions. Here, to fill the gap and effectively apply the low-resolution truck GPS datasets, this paper proposes a simple imputation technique that adopts the Brownian bridge structure to impute missing speed data. The proposed technique introduces a feasible imputation region and a combined drift into the imputation procedure to capture vehicle acceleration constraint, travel distance constraint, and speed volatility. The calibrated model is applied to a set of low-resolution truck GPS data. The results demonstrate the robustness of the proposed technique in enhancing estimation accuracy when using low-resolution GPS data to estimate fuel consumption and emissions.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Considerations for Distributed Edge Data Centers and Use of Building Loads to Support Large Interconnections

The rapid expansion of artificial intelligence (AI) and machine learning is driving unprecedented electricity demand from data centers. It is predicted that by 2030, 90% of AI workloads will be inference-based, requiring interconnection of multiple low-latency edge data centers (<20 MW) sited closer to end users - often on already constrained distribution feeders. Although individually small, these loads can aggregate to large loads per feeder, straining infrastructure, creating multi-year interconnection delays, and driving up customer costs. This paper proposes a data center-focused grid-integration framework that combines feeder hosting capacity analysis with building energy efficiency, building load flexibility, and waste heat reuse to expand effective feeder and substation headroom. Such approaches can reduce interconnection delays, lower costs for ratepayers, and accelerate AI-ready infrastructure deployment.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗