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At least 109 records · Page 6

Using spatial statistical methods to determine an effective minimum detectable activity - 15681

Instrument minimum detectable activity (MDA) is generally established by collecting multiple measurements over time of a single representative background location to estimate a probability distribution of instrument readings. A reading that is considered to be greater than would be expected from the background probability distribution (i.e., a low-probability event) is deemed to be sufficiently unlikely that it must be attributable to added radioactivity and is therefore used as the instrument MDA. An effective MDA can be determined from spatially distributed data that are much lower than the instrument MDA. This has been accomplished using a large number of spatially distributed data points (from a radiation survey) where patterns of elevated survey readings can be distinguished from background at levels. Given the variation of the instrument response and the relatively low regulatory action levels, it is vital to establish MDA thresholds that are well below corrective action levels. Processing of radiological survey data with the use of histogram binning and geo-statistics in enabling pattern recognition can be used to establish effective field MDAs that are much lower than instrument MDAs. (authors)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

In-depth analysis on parallel processing patterns for high-performance Dataframes

The Data Science domain has expanded monumentally in both research and industry communities during the past decade, predominantly owing to the Big Data revolution. Artificial Intelligence (AI) and Machine Learning (ML) are bringing more complexities to data engineering applications, which are now integrated into data processing pipelines to process terabytes of data. Typically, a significant amount of time is spent on data preprocessing in these pipelines, and hence improving its efficiency directly impacts the overall pipeline performance. The community has recently embraced the concept of Dataframes as the de-facto data structure for data representation and manipulation. However, the most widely used serial Dataframes today (R, pandas) experience performance limitations while working on even moderately large data sets. We believe that there is plenty of room for improvement by taking a look at this problem from a high-performance computing point of view. In a prior publication, we presented a set of parallel processing patterns for distributed dataframe operators and the reference runtime implementation, Cylon. In this paper, we are expanding on the initial concept by introducing a cost model for evaluating the said patterns. Furthermore, we evaluate the performance of Cylon on the ORNL Summit supercomputer.

97 MATHEMATICS AND COMPUTING↗

Fault diagnosis and severity estimation in nuclear power plants - 196

Signed Directed Graph (SDG) is a type of fault diagnosis method with a capability to display the complex relationship between plant parameters and reveal the potential danger and the propagation path when a fault occurs in a nuclear plant. However, the fault diagnosis method based on qualitative SDG model inevitably has a number of disadvantages, and some of these disadvantages include its inability to identify reoccurring faults; ambiguous reasoning that can result in low resolution; performance that relies on the accuracy of the model; slow diagnosis rate for large systems and poor real-time diagnosis, among others. In this paper, we propose an SDG fault diagnosis methodology based on Granular Computing Theory, referred to as Granular Computing Signed Directed Graph (GCSDG). This paper shows how knowledge reduction nature of granular computing based fault diagnosis can simplify the decision table, reduce the allocation of resources, scale-down the complexity of the problem and improve the efficiency of data processing. Then, we estimate the severity of the fault using Back Propagation (BP) neural network approach. The proposed methodology was verified by considering certain faults in the primary loop of a PWR, using PCTRAN. The result shows a considerable improvement in fault diagnosis and the severity estimated serves as a useful information for the operator, providing a firm foundation for further intervention. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Science Capsule: Towards Sharing and Reproducibility of Scientific Workflows

Workflows are increasingly processing large volumes of data from scientific instruments, experiments and sensors. These workflows often consist of complex data processing and analysis steps that might include a diverse ecosystem of tools and also often involve human-in-the-loop steps. Sharing and reproducing these workflows with collaborators and the larger community is critical but hard to do without the entire context of the workflow including user notes and execution environment. In this paper, we describe Science Capsule, which is a framework to capture, share, and reproduce scientific workflows. Science Capsule captures, manages and represents both computational and human elements of a workflow. It automatically captures and processes events associated with the execution and data life cycle of workflows, and lets users add other types and forms of scientific artifacts. Science Capsule also allows users to create `workflow snapshots' that keep track of the different versions of a workflow and their lineage, allowing scientists to incrementally share and extend workflows between users. Our results show that Science Capsule is capable of processing and organizing events in near real-time for high-throughput experimental and data analysis workflows without incurring any significant performance overheads.

Ghoshal, Devarshi↗

Digital pulse processing for NaI(Tl) detectors

We apply two different post-processing techniques to digital pulses induced by photons in a NaI(Tl) detector and compare the obtained energy resolution to the standard analog approach. Our digital acquisition approach is performed using a single-stage acquisition with a fast digitizer. Both the post-processing techniques we propose rely on signal integration. In the first, the pulse integral is calculated by directly numerically integrating the pulse digital samples, while in the second the pulse integral is estimated by a model-based fitting of the pulse. Our study used a 7.62 cm×7.62 cm cylindrical NaI(Tl) detector that gave a 7.60% energy resolution (at 662 keV), using the standard analog acquisition approach, based on a pulse shaping amplifier. The new direct numerical integration yielded a 6.52% energy resolution. The fitting approach yielded a 6.55% energy resolution, and, although computationally heavier than numerical integration, is preferable when only the early samples of the pulse are available. We also evaluated the timing performance of a fast–slow detection system, encompassing an EJ-309 and a NaI(Tl) scintillator. Here, we use two techniques to determine the pulse start time: constant fraction discrimination (CFD) and adaptive noise threshold timing (ANT), for both the analog and digital acquisition approach. With the analog acquisition approach, we found a system time resolution of 5.8 ns and 7.3 ns, using the constant fraction discrimination and adaptive noise threshold timing, respectively. With the digital acquisition approach, a time resolution of 1.2 ns was achieved using the ANT method and 3.3 ns using CFD at 50% of the maximum, to select the pulse start time. Finally, the proposed direct digital readout and post-processing techniques can improve the application of NaI(Tl) detectors, traditionally considered ‘slow’, for fast counting and correlation measurements, while maintaining a good measurement of the energy resolution.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Advanced data mining in field ion microscopy

Field ion microscopy (FIM) allows to image individual surface atoms by exploiting the effect of an intense electric field. Widespread use of atomic resolution imaging by FIM has been hampered by a lack of efficient image processing/data extraction tools. Recent advances in imaging and data mining techniques have renewed the interest in using FIM in conjunction with automated detection of atoms and lattice defects for materials characterization. After a brief overview of existing routines, we review the use of machine learning (ML) approaches for data extraction with the aim to catalyze new data-driven insights into high electrical field physics. Apart from exploring various supervised and unsupervised ML algorithms in this context, we also employ advanced image processing routines for data extraction from large sets of FIM images. The outcomes and limitations of such routines are discussed, and we conclude with the possible application of energy minimization schemes to the extracted point clouds as a way of improving the spatial resolution of FIM.

36 MATERIALS SCIENCE↗

Ultrafast processing of pixel detector data with machine learning frameworks

Modern photon science performed at high repetition rate free-electron laser (FEL) facilities and beyond relies on 2D pixel detectors operating at increasing frequencies (towards 100 kHz at LCLS-II) and producing rapidly increasing amounts of data (towards TB/s). This data must be rapidly stored for offline analysis and summarized in real time for online feedback to the scientists. While at LCLS all raw data has been stored, at LCLS-II this would lead to a prohibitive cost; instead, enabling real time processing of pixel detector data (dark, gain, common mode, background, charge summing, subpixel position, photon counting, data summarization) allows reducing the size and cost of online processing, offline processing and storage by orders of magnitude while preserving full photon information. This could be achieved by taking advantage of the compressibility of sparse data typical for LCLS-II applications. Faced with a similar big data challenge a decade ago, computer vision stimulated revolutionary advances in machine learning hardware and software. We investigated if these developments are useful in the field of data processing for high speed pixel detectors and found that typical deep learning models and autoencoder architectures failed to yield useful noise reduction while preserving full photon information, presumably because of the very different statistics and feature sets in computer vision and radiation imaging. However, the raw performance of modern frameworks like Tensorflow inspired us to redesign in Tensorflow mathematically equivalent versions of the state-of-the-art, “classical” algorithms used at LCLS. The novel Tensorflow models resulted in elegant, compact and hardware agnostic code, gaining 1 to 2 orders of magnitude faster processing on an inexpensive consumer GPU, reducing by 3 orders of magnitude the projected cost of online analysis and compression without photon loss at LCLS-II. The novel Tensorflow models also enabled ongoing development of a pipelined hardware system expected to yield an additional 3 to 4 orders of magnitude speedup, necessary for meeting the data acquisition and storage requirements at LCLS-II, potentially enabling acquiring every single FEL pulse at full speed. Computer vision a decade ago was dominated by hand-crafted filters; their structure inspired the deep learning revolution resulting in modern deep convolutional networks; similarly, our novel Tensorflow filters provide inspiration for designing future deep learning models for ultrafast and efficient processing and classification of pixel detector images at FEL facilities.

47 OTHER INSTRUMENTATION↗

Real-Time Analysis and Signal Optimization for Charge Detection Mass Spectrometry

Charge detection mass spectrometry (CDMS) is an important tool for measuring mass distributions for high mass samples and heterogeneous mixtures. In CDMS, single ions are trapped and their m/z and charge are measured simultaneously. As a single particle technique, the average signal must be optimized to maximize the number of single ion trapping events. If the average signal is too small, most of the trapping events will be empty, and if the average signal is too large, most of the trapping events will contain multiple ions. In recent embodiments, the time domain signal from the trapped ion is analyzed by fast Fourier transforms. The analysis time is much longer that the data collection time which precludes real-time optimization of the experimental conditions. In this paper, we describe the implementation of CDMS with real-time analysis. Processing the data in real time allows the average signal intensities to be dynamically optimized to maximize the number of single ion trapping events. Real-time analysis also allows the experimental settings to be optimized in a timely manner to target specific mass regimes to maximize the useful information content of the measurements. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DMTN-065: Data Management for LSST Special Programs

Special Programs are additional survey areas and/or observing strategies that are driven by specific science goals which build on, or are beyond, the core science pillars of the Wide Fast Deep Main Survey. In order to meet the requirements and enable science related to Special Programs, this document provides recommendations for Rubin Data Management regarding processing and serving data products for Special Programs. Hardware and processing boundaries on the potential diversity of data from Special Programs are discussed along with scenarios in which user-generated processing and data products might be needed to meet Special Programs' science goals.

79 ASTRONOMY AND ASTROPHYSICS↗

Materials Characterization, Prediction and Control Project: Summary Report on Data Analytics Framework

This report summarizes the activities performed under the data analytics Vertex in the Materials Characterization, Prediction and Control Project funded under laboratory directed research and development at Pacific Northwest National Laboratory. The data analytics Vertex developed models for associating global or local process parameters, microstructural features, and performance properties of friction-stir-processed 316L stainless steel plates. Statistical, machine learning, and deep learning models, as well as generative artificial intelligence approaches, were used to develop the associations between the process-structure-property data streams. These associations formed the basis for predicting global properties of parts manufactured under different process envelopes, providing a basis for predicting performance using data driven as well as physics-informed and physics-constrained approaches. Additionally, the associations were used to predict local process parameters and microstructural features of the product, predictive relationships that have the potential to form the basis of a control framework that could eventually modulate a friction-stir process to maintain product quality.

316L stainless steel↗

Python in the NERSC Exascale Science Applications Program for Data

We describe a new effort at the National Energy Re- search Scientific Computing Center (NERSC) in performance analysis and optimization of scientific Python applications targeting the Intel Xeon Phi (Knights Landing, KNL) many- core architecture. The Python-centered work outlined here is part of a larger effort called the NERSC Exascale Science Applications Program (NESAP) for Data. NESAP for Data focuses on applications that process and analyze high-volume, high-velocity data sets from experimental/observational science (EOS) facilities supported by the US Department of Energy Office of Science. We present three case study applications from NESAP for Data that use Python. These codes vary in terms of “Python purity” from applications developed in pure Python to ones that use Python mainly as a convenience layer for scientists without expertise in lower level programming lan- guages like C, C++ or Fortran. The science case, requirements, constraints, algorithms, and initial performance optimizations for each code are discussed. Our goal with this paper is to contribute to the larger conversation around the role of Python in high-performance computing today and tomorrow, highlighting areas for future work and emerging best practices

Ronaghi, Zahra↗

2K-Capture in {sup 124}Хе: Results of Data Processing for an Exposure of 37.7 kg day

The results of the experimental search for two-neutrino 2K-capture in {sup 124}Xe with a large copper proportional counter obtained by processing the data for an exposure of 37.7 kg day are presented. The experimental setup is located at the Underground Low-Background: Laboratory of the Baksan Neutrino Observatory at a depth of 4900 m.w.e. The combination of methods of selection of useful signals with a unique set of characteristics and the event topology taken into account allowed us to suppress the background in the energy region of interest. A new half-life limit for 2K(2ν)-capture in {sup 124}Xe was determined: T{sub 1/2} ≥ 7.7 × 10{sup 21} years (90% CL).

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

CMIP7 Data Request: atmosphere priorities and opportunities

This paper presents a comprehensive overview of the Coupled Model Intercomparison Project Phase 7 (CMIP7) request for data unlocking key research avenues in atmospheric science and provides justification for the resources needed to produce this data. Topics within the CMIP7 Atmosphere Theme centre around processes and feedbacks in atmospheric science such as clouds, aerosols and atmospheric chemistry, atmospheric circulation, temperature variability and extremes, radiative forcings, and Earth system model evaluation. These topics are summarised in this paper as scientific “opportunities” which will be realised through CMIP7 experiments and Earth system model outputs. These opportunities were submitted by a thematic group of atmospheric science community representatives combined with an extended consultation process. The production of these variables will close key gaps and uncertainties identified during previous rounds of CMIP, and will be broadly used by scientific, policy, governmental, industry, and other communities that rely on climate model projections for research and decision making, including supporting the 7th Intergovernmental Panel on Climate Change Assessment Report (AR7). As an author group, we also reflect on the process used to collate this data request and make recommendations to future CMIP governance on implementing a consultation on this scale in the future.

58 GEOSCIENCES↗

Development of Explainable, Knowledge-Guided AI Models to Enhance the E3SM Land Model Development and Uncertainty Quantification

Focal Area(s): (2)Predictive modeling using AI techniques and AI-derived model components; use of AI and other tools to design a prediction system comprising of a hierarchy of models. (3) Insight gleaned from complex data (both observed and simulated) using AI, big data analytics, and other advanced methods, including explainable AI and physics- or knowledge- guided AI. Science Challenge: The Energy Exascale Earth System Model (E3SM) is a fully coupled, state-of-the-science Earth system model that uses code optimized for DOE's advanced computers to address the most critical scientific questions facing our nation and society (Golaz et al., 2019). The E3SM Land model (ELM) is designed to understand how the changes in terrestrial land surfaces will interact with other Earth system components and has been used to understand hydrologic cycles, biogeophysics, and ecosystem dynamics. In spite of great successes, the ELM has several known issues that restrain rapid improvements. For example, the ELM uses equilibrium models to simulate dynamic land-climate interactions and it requires long model spin-up time to identify suitable initial conditions for transient simulations. The ELM lacks built-in uncertainty mechanisms that can improve the robustness of model predictions. The ELM is a holistic, deterministic model system with a rigid design, and in many situations, it is hard to modify the ELM system to incorporate new theory/hypothesis and new data across scales to address emerging science problems (such as predicting the impacts of water cycle extremes). In addition, The ELM is technically optimized for traditional CPU-centric computers and it cannot fully utilize the current and incoming leadership computers for model simulations and uncertainty quantification (UQ). The success of artificial intelligence (AI) has inspired scientists to use AI models to discover intrinsic features from simulation data (Chattopadhyay et al., 2020) and observational data (Reichstein et al., 2019) to gain further process understanding of Earth science problems. However, autonomous AI model training through deep learning usually requires a huge amount of annotated data. To overcome the limitations from the data and computing resources, knowledge-guided AI models are necessary where human-knowledge is ingested in model construction (Banino et al., 2018) and training process (Silver et al., 2016) for efficient learning. Herein, we present a new way that leverages the process understanding from the ELM to guide AI model development for the ELM enhancement and UQ. We hope this study can inspire further Earth and environmental system model developments and transformations.

54 ENVIRONMENTAL SCIENCES↗

Remote access and automation of SPring-8 MX beamlines

At SPring-8 MX beamlines, a remote access system has been developed and started user operation in 2010. The system has been developed based on an automated data collection and data management architecture utilized for the confirmed scheme of SPring-8 mail-in data collection. Currently, further improvement to the remote access and automation which covers data processing and analysis are being developed.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Particle flow reconstruction for the CMS Phase-II Level-1 Trigger

The upgrade of the CMS detector for the high-luminosity LHC will include trackfinding for the first time in the Level-1 trigger, enabling Particle Flow reconstruction of every event in addition to comprehensive pileup mitigation. The Correlator trigger will reconstruct isolated leptons and photons, hadronic jets, and energy sums, assisted in many cases by machine learning to benefit from the complete particle-level event record. Here, we present the logic of these algorithms, possible implementations using large FPGAs and their demonstration in prototype hardware, in addition to the expected physics performance.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Quantum Networks for Open Science (QNOS) Workshop

Quantum computing systems currently being developed will have extraordinary capabilities to effectively solve complex problems in computational sciences, communication networks, artificial intelligence, and data processing, and will provide a powerful capability for researchers in almost every scientific discipline. Harnessing the full potential of quantum computing will require an ecosystem with a broad spectrum of quantum technologies. Quantum networks are one of the critical and highly anticipated components of this ecosystem. The combination of quantum computing and quantum networks are crucial to the US Department of Energy’s (DOE) mission to provide scientists with the state-of-the-art computational capabilities.

97 MATHEMATICS AND COMPUTING↗