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At least 37 records · Page 2

Region-adaptive, Error-controlled Scientific Data Compression using Multilevel Decomposition

The increase of computer processing speed is significantly outpacing improvements in network and storage bandwidth, leading to the big data challenge in modern science, where scientific applications can quickly generate much more data than that can be transferred and stored. As a result, big scientific data must be reduced by a few orders of magnitude while the accuracy of the reduced data needs to be guaranteed for further scientific explorations. Moreover, scientists are often interested in some specific spatial/temporal regions in their data, where higher accuracy is required. The locations of the regions requiring high accuracy can sometimes be prescribed based on application knowledge, while other times they must be estimated based on general spatial/temporal variation. In this paper, we develop a novel multilevel approach which allows users to impose region-wise compression error bounds. Our method utilizes the byproduct of a multilevel compressor to detect regions where details are rich and we provide the theoretical underpinning for region-wise error control. With spatially varying precision preservation, our approach can achieve significantly higher compression ratios than single-error bounded compression approaches and control errors in the regions of interest.We conduct the evaluations on two climate use cases – one targeting small-scale, node features and the other focusing on long, areal features. For both use cases, the locations of the features were unknown ahead of the compression. By selecting approximately 16% of the data based on multi-scale spatial variations and compressing those regions with smaller error tolerances than the rest, our approach improves the accuracy of post-analysis by approximately 2 × compared to single-error-bounded compression at the same compression ratio. Using the same error bound for the region of interest, our approach can achieve an increase of more than 50% in overall compression ratio.

Gong, Qian↗

Genome-Scale Metabolic Modeling Enables In-Depth Understanding of Big Data

Genome-scale metabolic models (GEMs) enable the mathematical simulation of the metabolism of archaea, bacteria, and eukaryotic organisms. GEMs quantitatively define a relationship between genotype and phenotype by contextualizing different types of Big Data (e.g., genomics, metabolomics, and transcriptomics). In this review, we analyze the available Big Data useful for metabolic modeling and compile the available GEM reconstruction tools that integrate Big Data. We also discuss recent applications in industry and research that include predicting phenotypes, elucidating metabolic pathways, producing industry-relevant chemicals, identifying drug targets, and generating knowledge to better understand host-associated diseases. In addition to the up-to-date review of GEMs currently available, we assessed a plethora of tools for developing new GEMs that include macromolecular expression and dynamic resolution. Finally, we provide a perspective in emerging areas, such as annotation, data managing, and machine learning, in which GEMs will play a key role in the further utilization of Big Data.

59 BASIC BIOLOGICAL SCIENCES↗

4th Big Data for Nuclear Power Plants Workshop 2023

The Ohio State University and Idaho National Laboratory organized the 4 th Big Data for Nuclear Power Plants Workshop in November, 2023 in Columbus, Ohio. Workshop topics were chosen to understand the challenges and gaps that need to be addressed to maximize the impact of data on the nuclear industry, as well as the associated applications and risks. Discussions were focused around six specific application areas: Operation and Maintenance; Machine Learning in Nuclear Materials and Advanced Manufacturing; Cybersecurity; High-Performance Computing and Massive Computation; Big Data and Digital Twins; and Nuclear Non-Proliferation. The opportunities, challenges, and risks identified in the six focus areas explored in this workshop are diverse, but some common themes emerge, such as the importance of data integrity, quality, coverage, privacy, and traceability. Big data and AI/ML tools can be leveraged to reduce costs, optimize human tasking, and reduce human error across various application areas. In order for the nuclear industry to benefit from big data and advanced analytic capabilities, it is essential to address challenges and risks, such as data privacy, model reliability, and computational resource availability. Learning from other industries that have successfully implemented big data and AI/ML technologies, like the aerospace industry, can help the nuclear industry successfully integrate these technologies.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Nuclear Data: What is the big deal? [Slides]

This presentation begins with a look at the practical application: differential and integral data. It also includes a nuclear data evaluation: cross section formalisms, data processing and cross section library generation, computer tools, and criticality safety assessment: nuclear data. The presentation ends with some concluding remarks.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Development of a Unified Taxonomy for HVAC System Faults

Detecting and diagnosing HVAC faults is critical for maintaining building operation performance, reducing energy waste, and ensuring indoor comfort. An increasing deployment of commercial fault detection and diagnostics (FDD) software tools in commercial buildings in the past decade has significantly increased buildings’ operational reliability and reduced energy consumption. A massive amount of data has been generated by the FDD software tools. However, efficiently utilizing FDD data for ‘big data’ analytics, algorithm improvement, and other data-driven applications is challenging because the format and naming conventions of those data are very customized, unstructured, and hard to interpret. This paper presents the development of a unified taxonomy for HVAC faults. A taxonomy is an orderly classification of HVAC faults according to their characteristics and causal relations. The taxonomy includes fault categorization, physical hierarchy, fault library, relation model, and naming/tagging scheme. The taxonomy employs both a physical hierarchy of HVAC equipment and a cause-effect relationship model to reveal the root causes of faults in HVAC systems. A structured and standardized vocabulary library is developed to increase data representability and interpretability. The developed fault taxonomy can be used for HVAC system ‘big data’ analytics such as HVAC system fault prevalence analysis or the development of an HVAC FDD software standard. A common type of HVAC equipment-packaged rooftop unit (RTU) is used as an example to demonstrate the application of the developed fault taxonomy. Two RTU FDD software tools are used to show that after mapping FDD data according to the taxonomy, the meta-analysis of the multiple FDD reports is possible and efficient.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

RAPIDS: Reconciling Availability, Accuracy, and Performance in Managing Geo-Distributed Scientific Data

In modern science, big data plays an increasingly important role. Many scientific applications, such as running simulations on supercomputers or conducting experiments on advanced instruments, produce huge amount of data at unprecedented speed. Analyzing and understanding such big data is the key for scientists to make scientific breakthroughs. However, data might become unavailable for scientists to access when outages or maintenance of the storage system occur, which severely hinders scientific discovery. To improve the data availability, data duplication and erasure coding (EC) are often used. But as the scientific data gets larger, using these two methods can cause considerable storage and network overhead.In this paper, we propose RAPIDS, a hybrid approach that combines the multigrid-based error-bounded lossy compression with erasure coding, to significantly reduce the storage and network overhead required for maintaining high data availability. Our experiments show that RAPIDS reduces the storage overhead by up to 7.5x and network overhead by up to 3x to achieve the same level of availability compared to the regular EC method. We improve RAPIDS by building two models to optimize the fault tolerance configurations and data gathering strategy. We demonstrate that RAPIDS significantly improves performance when running on many CPU cores in parallel or on GPUs.

Wan, Lipeng↗

ZMPY3D: accelerating protein structure volume analysis through vectorized 3D Zernike moments and Python-based GPU integration

Abstract Motivation Volumetric 3D object analyses are being applied in research fields such as structural bioinformatics, biophysics, and structural biology, with potential integration of artificial intelligence/machine learning (AI/ML) techniques. One such method, 3D Zernike moments, has proven valuable in analyzing protein structures (e.g., protein fold classification, protein–protein interaction analysis, and molecular dynamics simulations). Their compactness and efficiency make them amenable to large-scale analyses. Established methods for deriving 3D Zernike moments, however, can be inefficient, particularly when higher order terms are required, hindering broader applications. As the volume of experimental and computationally-predicted protein structure information continues to increase, structural biology has become a “big data” science requiring more efficient analysis tools. Results This application note presents a Python-based software package, ZMPY3D, to accelerate computation of 3D Zernike moments by vectorizing the mathematical formulae and using graphical processing units (GPUs). The package offers popular GPU-supported libraries such as CuPy and TensorFlow together with NumPy implementations, aiming to improve computational efficiency, adaptability, and flexibility in future algorithm development. The ZMPY3D package can be installed via PyPI, and the source code is available from GitHub. Volumetric-based protein 3D structural similarity scores and transform matrix of superposition functionalities have both been implemented, creating a powerful computational tool that will allow the research community to amalgamate 3D Zernike moments with existing AI/ML tools, to advance research and education in protein structure bioinformatics. Availability and implementation ZMPY3D, implemented in Python, is available on GitHub (https://github.com/tawssie/ZMPY3D) and PyPI, released under the GPL License.

Lai, Jhih-Siang (ORCID:0000000156775890)↗

Exploratory analysis and performance prediction of big data transfer in High-performance Networks

Big data transfer in large-scale scientific and business applications is increasingly carried out over connections with guaranteed bandwidth provisioned in High-performance Networks (HPNs) via advance bandwidth reservation. Provisioning agents need to carefully schedule data transfer requests, compute network paths, and allocate appropriate bandwidths. Such reserved bandwidths, if not fully utilized, could be simply wasted due to the exclusive access during the approved time window, and cause extra overhead and complexity for resource management. This calls for accurate performance prediction to reserve bandwidths that match actual needs and avoid over-provisioning. We employ machine learning algorithms to predict big data transfer performance based on extensive performance measurements collected in the past several years from data transfer tests using different protocols and toolkits between various end sites on several real-life physical or emulated testbeds. We first analyze the performance patterns in response to a comprehensive list of parameters in end-host systems, network connections, and data transfer applications, which motivate the use of machine learning and also help us identify the effects of latent factors. We then propose threshold- and clustering-based methods to eliminate negative effects of latent factors in data preprocessing and build a robust performance predictor based on customized domain-oriented loss functions. The performance of the proposed methods is verified by extensive experiments using SVR and RFR as well as theoretical analysis of the general performance bound.

97 MATHEMATICS AND COMPUTING↗

A Survey on Error-Bounded Lossy Compression for Scientific Datasets

Error-bounded lossy compression has been effective in significantly reducing the data storage/transfer burden while preserving the reconstructed data fidelity very well. Many error-bounded lossy compressors have been developed for a wide range of parallel and distributed use cases for years. They are designed with distinct compression models and principles, such that each of them features particular pros and cons. In this article, we provide a comprehensive survey of emerging error-bounded lossy compression techniques. The key contribution is fourfold. (1) We summarize a novel taxonomy of lossy compression into six classic models. (2) We provide a comprehensive survey of 10 commonly used compression components/modules. (3) We summarized pros and cons of 47 state-of-the-art lossy compressors and present how state-of-the-art compressors are designed based on different compression techniques. (4) We discuss how customized compressors are designed for specific scientific applications and use-cases. We believe this survey is useful to multiple communities including scientific applications, high-performance computing, lossy compression, and big data.

Error-Bounded Lossy Compression↗

Functional Data Analysis for Extracting the Intrinsic Dimensionality of Spectra: Application to Chemical Homogeneity in the Open Cluster M67

High-resolution spectroscopic surveys of the Milky Way have entered the Big Data regime and have opened avenues for solving outstanding questions in Galactic archeology. However, exploiting their full potential is limited by complex systematics, whose characterization has not received much attention in modern spectroscopic analyses. In this work, we present a novel method to disentangle the component of spectral data space intrinsic to the stars from that due to systematics. Using functional principal component analysis on a sample of 18,933 giant spectra from APOGEE, we find that the intrinsic structure above the level of observational uncertainties requires ≈10 functional principal components (FPCs). Our FPCs can reduce the dimensionality of spectra, remove systematics, and impute masked wavelengths, thereby enabling accurate studies of stellar populations. To demonstrate the applicability of our FPCs, we use them to infer stellar parameters and abundances of 28 giants in the open cluster M67. We employ Sequential Neural Likelihood, a simulation-based Bayesian inference method that learns likelihood functions using neural density estimators, to incorporate non-Gaussian effects in spectral likelihoods. By hierarchically combining the inferred abundances, we limit the spread of the following elements in M67: Fe ≲ 0.02 dex; C ≲ 0.03 dex; O, Mg, Si, Ni ≲ 0.04 dex; Ca ≲ 0.05 dex; N, Al ≲ 0.07 dex (at 68% confidence). Our constraints suggest a lack of self-pollution by core-collapse supernovae in M67, which has promising implications for the future of chemical tagging to understand the star formation history and dynamical evolution of the Milky Way.

79 ASTRONOMY AND ASTROPHYSICS↗

Melt pool temperature measurement and monitoring during laser powder bed fusion based additive manufacturing via single-camera two-wavelength imaging pyrometry (STWIP)

Melt pool (MP) temperature is one of the determining factors and a key signature for evaluating the properties of printed components in metal additive manufacturing (AM). The state-of-the-art measurement systems are hindered, primarily by the large-scale data acquisition and processing demands. In this work, we introduce a novel coaxial, high-speed, single-camera two-wavelength imaging pyrometer (STWIP) system as opposed to the typical utilization of multiple cameras for measuring MP temperature profiles in laser powder bed fusion (LPBF) processes. Developed on a commercial LPBF machine (EOS M290), the STWIP system demonstrated its ability to quantitatively monitor the MP temperature and its variation for 50 layers at high framerates (>30,000 fps) for a real-world application (standard fatigue specimens) print. High performance computing is employed to analyze the acquired big data (MP images), for determining each MP's average temperature and 2D temperature profile. The MP temperature evolution in the gage section of a fatigue specimen is also examined at a temporal resolution of 1 ms, by evaluating the MP temperatures in the samples' first, middle, and last layers. This report is the first of its kind on monitoring MP temperature distribution and evolution at such a large, detailed scale for longer durations in practical applications.

42 ENGINEERING↗

High-Throughput Computing: Case Study of Medical Image Processing Applications

HPC is designed for large-scale simulations using monolithic codes of tightly coupled processes highly optimized to deliver decreased time to solution. Medical image processing is not a traditional field of HPC. Similar to AI applications, medical image processing parses large datasets, typically multiple times, to support a variety of studies for classification, diagnosis or monitoring purposes. The convergence of AI, HPC and Big Data encouraged more fields using image processing to transition to HPC. However, not all applications benefit from the same optimizations. In this paper we focus on high throughput medical image processing applications that analyze a huge dataset of small MRI images and that require HPC systems to decrease the time of parsing the entire dataset and not individual MRIs. We show in this research the performance of running SLANT, an image processing application for a whole brain segmentation, on large-scale systems and highlight performance limitations. We present optimizations prioritizing throughput that exhibit a 3.5x speed-up on the Summit Supercomputer that can be used as a baseline for building a high-throughput execution framework for other HPC systems.

Predescu, Maria↗

Phasor-Measurement-Unit-Based Data Analytics Using Digital Twin and PhasorAnalytics Software

A major objective of this project was to apply GE’s commercial machine learning and data analytics toolsets to large-scale, real-world, anonymized Phasor Measurement Unit (PMU) datasets in order to extract signatures, correlated and/or causal factors, and precursor patterns associated with significant power system phenomena. The project had a particular emphasis on extraction of insights relevant to asset health monitoring, real-time load modeling and cybersecurity monitoring. Additionally, the team was directed to undertake a comprehensive data quality analysis for the provided datasets and encouraged to estimate the ‘machine-learning readiness’ of the datasets by documenting any major obstacles to the application of commercial machine learning algorithms. To accomplish the aforementioned objectives, the project team’s work centered around the identification of key event signatures and application of the identified event signatures for event detection and event classification. The industry-validated, semi-supervised machine learning strategy employed for event signature identification involved several major tasks, including data-preprocessing, generation of an overabundance of features, normal data identification, normality modeling, and event signature identification through a methodical, quantitative ranking of features in order of relevance to each studied event type. Throughout the project, data quality issues and mitigation techniques were investigated. In this report, insights are provided regarding the readiness of the provided synchrophasor datasets for application of machine learning and data analytics. The methodologies employed for this technical strategy are summarized in this report. With regards to data preprocessing and feature generation, the provided Training and Test Datasets were ingested into GE’s big data environment. Subsequently, the team applied bad data cleansing and data imputation scripts, event detection scripts, and application programming interfaces (APIs) to the datasets for convenient data access. The project team completed development and validation of dozens of physics-based, statistics-based and transformation-based feature functions used for the extraction of over 60 synchrophasor features. Using a new parallel feature generation technology developed on this project, over 60 features have been rapidly generated for the full two years’ worth of Training and Test Dataset data associated with both the Eastern and Western interconnects. Even accommodating for temporal down-sampling inherent to the feature extraction procedure, this parallel feature generation activity resulted in a massive feature set with a storage requirement approximately equal to that of the raw training dataset itself. With regards to normal data identification and normality modeling, a normality model was built using the feature data extracted from the Training Dataset and iteratively refined subsequent to incremental adjustments and expansions of the Training Dataset feature data. With respect to event characterization and signature identification, an event signature identification pipeline was developed and used in conjunction with the normality model to identify over 15 event signatures for key event categories within the Training Dataset. The identified event signatures were used to characterize hundreds of key events in terms of relative severity, duration, and location of the event. An investigation was undertaken to identify correlated and causal factors involved in transformer events. A separate investigation into temporal trends in ring-down analysis results was undertaken to determine possible associations between system dynamics and various other factors such as loading, season or year. To validate the identified event signatures, additional work was undertaken to develop signature-based anomaly detection and classification tools suitable for convenient application to the synchrophasor datasets. The anomaly detection and classification tools, suitable for online application, were then applied to the entirety of the Eastern Interconnect Training and Test Datasets. Performance of the event detection and classification tools was evaluated upon receipt of the Test Dataset event logs (i.e., the labels for events contained in the Test Dataset), and promising results were obtained despite several challenges (documented herein) associated with application of supervised or semi-supervised machine learning methods to large-scale, anonymized datasets. Finally, the detection and classification tools were used to detect, classify, and characterize thousands of new events not included in the original event logs provided by the DOE within both the Training and Test Datasets.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Few measurement shots challenge generalization in learning to classify entanglement

The ability to extract general laws from a few known examples depends on the complexity of the problem and on the amount of training data. In the quantum setting, the learner's generalization performance is further challenged by the destructive nature of quantum measurements that, together with the no-cloning theorem, limits the amount of information that can be extracted from each training sample. In this paper we focus on hybrid quantum learning techniques where classical machine-learning methods are paired with quantum algorithms and show that, in some settings, the uncertainty coming from a few measurement shots can be the dominant source of errors. We identify an instance of this possibly general issue by focusing on the classification of maximally entangled vs. separable states, showing that this toy problem becomes challenging for learners unaware of entanglement theory. Finally, we introduce an estimator based on classical shadows that performs better in the big data, few copy regime. Our results show that the naive application of classical machine-learning methods to the quantum setting is problematic, and that a better theoretical foundation of quantum learning is required.

97 MATHEMATICS AND COMPUTING↗

A Review of Recent and Emerging Machine Learning Applications for Climate Variability and Weather Phenomena

Abstract Climate variability and weather phenomena can cause extremes and pose significant risk to society and ecosystems, making continued advances in our physical understanding of such events of utmost importance for regional and global security. Advances in machine learning (ML) have been leveraged for applications in climate variability and weather, empowering scientists to approach questions using big data in new ways. Growing interest across the scientific community in these areas has motivated coordination between the physical and computer science disciplines to further advance the state of the science and tackle pressing challenges. During a recently held workshop that had participants across academia, private industry, and research laboratories, it became clear that a comprehensive review of recent and emerging ML applications for climate variability and weather phenomena that can cause extremes was needed. This article aims to fulfill this need by discussing recent advances, challenges, and research priorities in the following topics: sources of predictability for modes of climate variability, feature detection, extreme weather and climate prediction and precursors, observation–model integration, downscaling, and bias correction. This article provides a review for domain scientists seeking to incorporate ML into their research. It also provides a review for those with some ML experience seeking to broaden their knowledge of ML applications for climate variability and weather.

54 ENVIRONMENTAL SCIENCES↗

X-composer: enabling cross-environments in-situ workflows between HPC and cloud

As large-scale scientific simulations and big data analyses become more popular, it is increasingly more expensive to store huge amounts of raw simulation results to perform post-analysis. To minimize the expensive data I/O, "in-situ" analysis is a promising approach, where data analysis applications analyze the simulation generated data on the fly without storing it first. However, it is challenging to organize, transform, and transport data at scales between two semantically different ecosystems due to the distinct software and hardware difference. To tackle these challenges, we design and implement the X-Composer framework. X-Composer connects cross-ecosystem applications to form an "in-situ" scientific workflow, and provides a unified approach and recipe for supporting such hybrid in-situ workflows on distributed heterogeneous resources. X-Composer reorganizes simulation data as continuous data streams and feeds them seamlessly into the Cloud-based stream processing services to minimize I/O overheads. For evaluation, we use X-Composer to set up and execute a cross-ecosystem workflow, which consists of a parallel Computational Fluid Dynamics simulation running on HPC, and a distributed Dynamic Mode Decomposition analysis application running on Cloud. Our experimental results show that X-Composer can seamlessly couple HPC and Big Data jobs in their own native environments, achieve good scalability, and provide high-fidelity analytics for ongoing simulations in real-time.

Wang, Dali↗

Real-Time Health Monitoring for Gas Turbine Components Using Online Learning and High-Dimensional Data

Capital-intensive turbomachinery, such as gas turbines and combined cycle plants, are constantly being monitored for performance anomalies, faults, and physical degradation. Although these power-generating assets are equipped with hundreds of sensors, existing monitoring tools can only handle moderate-sized data. As a result, only a handful of aggregate metrics are used to monitor machine health. At the same time, developing advanced tools suitable for large datasets have been restricted by the lack of appropriate data. The objective of this proposal was to demonstrate a Big Data analytics framework for fault detection and diagnosis in gas turbine applications. We develop a predictive analytics framework methodology guided by these experimental data, industrial data from our collaborators, and physics-based models with engineering domain knowledge. Our analytics framework consists of four key components (1) a data curation process that addresses data storage, data quality assessments, and integrity checks, (2) a feature engineering component that utilizes statistical methods and transformation algorithms guided by physics-based models to extract high-fidelity fault features that can be leveraged for fault detection and classifying fault severities, (3) a Machine Learning-based fault detection and diagnostics algorithms for detecting operational and hardware faults in the combustion and the turbines section. We utilize two industry-class gas turbine component test rigs to generate first of its kind data for critical gas turbine faults with varying severity levels. Advanced gas turbine test facilities will be interrogated using state-of-the-art instrumentation techniques to build fault signatures and data trends for key combustor and turbine faults. Data generated from a combustor test rig (Georgia Tech) and a turbine test rig (Penn State) during both normal operation and with seeded faults serve as the basis for the Big Data sets. The test conditions in the two test facilities include common, critical events that occur in the operation. Utilizing the combustor test rig, we examine two common combustor faults: lean blowout and centerbody degradation. For the turbine section we develop analytic models for monitoring cooling faults in the gas turbine

03 NATURAL GAS↗