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At least 1,063 records · Page 59

Sensor Anomaly Detection for Nuclear Reactor Systems Utilizing Linear Regression and K-Means Unsupervised Machine Learning

Nuclear reactors and related systems are becoming increasingly complex due to advancing technologies in next-generation power reactors. This increased complexity necessitates enhanced automation and data management capabilities. To successfully realize autonomous systems, methods must be developed to handle vast volumes of data and effectively distinguish anomalous data from noise and expected data. While impressive models utilizing digital twins and similar approaches are under development, here we propose a simplified model for analyzing fundamental methods and techniques. Initially, we created a general dataset by using initial data from PCTRAN in order to represent ideal steady-state conditions. We then inserted anomalies based on prevalent sensor anomaly types (e.g., point anomalies, linear drift, and downward deviations), along with unusual anomalies such as exponential drift and upward deviations. To detect anomalies, we developed a program that employs data partitioning and linear regression to preprocess and filter the anomalous data. A K-Means machine learning (ML) method was then applied to separate and count the data within the anomalous partition. The results from all datasets—apart from exponential growth—demonstrated positive outcomes, with each returning multiple instances of greaterthan-95% accuracy. We conducted further investigations using Idaho National Laboratory’s RAVEN software to perform a sensitivity analysis on the input variables (R 2 Tolerance, Slope Tolerance, and Window Size) and found that the output variables (Accuracy and Time) were most sensitive to the Window Size. Despite the promising results published, further development is required to effectively apply these methods to nuclear systems. Nevertheless, the strengths of this approach are evident and hold promise for future applications in the field.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Pattern ANalytics To Support High-performance Exploitation and Reasoning (PANTHER)

Sandia researchers are developing analytic techniques that efficiently detect patterns in high-volume, noisy, remote sensing and other geospatial data, improving an analysts’ ability to detect possibly off-normal events in complex homeland security, nuclear weapons, and emerging threat environments. High-consequence, national security decisions rely on timely, comprehensive answers to complex questions, yet critical gaps in our approach to these questions remain. PANTHER addresses these gaps through fundamental research on: geospatial-temporal feature extraction via image segmentation and classification; geospatial-temporal graph algorithms and computational geometry; and domain-relevant models of human perception and cognition informing the design of analytic systems. PANTHER’s cross-disciplinary R&D approach uses fundamental science and mathematics to understand how to maximize decision systems through rethinking key aspects of geospatial data analysis. New methods in motion and trajectory analysis support both rapid search for known trajectories as well as rapid clustering and anomaly detection. Thus, the perceptual and visual load on users is reduced by providing pattern analytics with elegant visual cues to spatial and temporal characteristics.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Finalizing Transition to the New Data Center at BNL

Computational science, data management and analysis have been key factors in the success of Brookhaven National Laboratory's scientific programs at the Relativistic Heavy Ion Collider (RHIC), the National Synchrotron Light Source (NSLS-II), the Center for Functional Nanomaterials (CFN), and in biological, atmospheric, and energy systems science, Lattice Quantum Chromodynamics (LQCD) and Materials Science, as well as our participation in international research collaborations, such as the ATLAS Experiment at Europe's Large Hadron Collider (LHC) at CERN (Switzerland) and the Belle II Experiment at KEK (Japan). The construction of a new data center is an acknowledgement of the increasing demand for computing and storage services at BNL in the near term and enable the Lab to address the needs of the future experiments at the High-Luminosity LHC at CERN and the Electron-Ion Collider (EIC) at BNL in the long term. The Computing Facility Revitalization (CFR) project is aimed at repurposing the former National Synchrotron Light Source (NSLS-I) building as the new data center for BNL. The construction of the new data center was finished in 2021Q3, and it was delivered for production in early FY2022 for all collaborations supported by the Scientific Data and Computing Center (SDCC), including STAR, PHENIX and sPHENIX experiments at RHIC collider at BNL, the Belle II Experiment at KEK (Japan), and the Computational Science Initiative at BNL (CSI). This paper highlights the key mechanical, electrical, and networking components of the new data center in its final configuration as used in production since 2021Q4 and gives an overview for the extension of the central network systems into the new data center and the migration of a significant portion of IT load and services from the old data center to the new data center carried out in 20212023, with expected completion of the main phase of the gradual IT equipment replacement and migration from the old data center into the new one set to the end of FY2023 (Sep 30, 2023).

99 GENERAL AND MISCELLANEOUS↗

Leveraging Data Intensive Computing to Support Automated Event Services

A large portion of Earth Science investigations is phenomenon- or event-based, such as the studies of Rossby waves, mesoscale convective systems, and tropical cyclones. However, except for a few high-impact phenomena, e.g. tropical cyclones, comprehensive records are absent for the occurrences or events of these phenomena. Phenomenon-based studies therefore often focus on a few prominent cases while the lesser ones are overlooked. Without an automated means to gather the events, comprehensive investigation of a phenomenon is at least time-consuming if not impossible. An Earth Science event (ES event) is defined here as an episode of an Earth Science phenomenon. A cumulus cloud, a thunderstorm shower, a rogue wave, a tornado, an earthquake, a tsunami, a hurricane, or an EI Nino, is each an episode of a named ES phenomenon," and, from the small and insignificant to the large and potent, all are examples of ES events. An ES event has a finite duration and an associated geolocation as a function of time; its therefore an entity in four-dimensional . (4D) spatiotemporal space. The interests of Earth scientists typically rivet on Earth Science phenomena with potential to cause massive economic disruption or loss of life, but broader scientific curiosity also drives the study of phenomena that pose no immediate danger. We generally gain understanding of a given phenomenon by observing and studying individual events - usually beginning by identifying the occurrences of these events. Once representative events are identified or found, we must locate associated observed or simulated data prior to commencing analysis and concerted studies of the phenomenon. Knowledge concerning the phenomenon can accumulate only after analysis has started. However, except for a few high-impact phenomena. such as tropical cyclones and tornadoes, finding events and locating associated data currently may take a prohibitive amount of time and effort on the part of an individual investigator. And even for these high-impact phenomena, the availability of comprehensive records is still only a recent development. A major reason for the lack of comprehensive ,records for the majority of the ES phenomena is the perception that they do not pose immediate and/or severe threat to life and property and are thus not consistently tracked. monitored, and catalogued. Many phenomena even lack commonly accepted criteria for definitions. However. the lack of comprehensive records is also due to the increasingly prohibitive volume of observations and model data that must be examined. NASA Earth Observing System Data Information System (EOSDIS) alone archives several petabytes (PB) of satellite remote sensing data and steadily increases. All of these factors contribute to the difficulty of methodically identifying events corresponding to a given phenomenon and significantly impede systematic investigations. In the following we present a couple motivating scenarios, demonstrating the issues faced by Earth scientists studying ES phenomena.

Clune, Thomas L.↗

Command and data handling of science signals on Spacelab

The Orbiter Avionics and the Spacelab Command and Data Management System (CDMS) combine to provide a relatively complete command, control, and data handling service to the instrument complement during a Shuttle Sortie Mission. The Spacelab CDMS services the instruments and the Orbiter in turn services the Spacelab. The CDMS computer system includes three computers, two I/O units, a mass memory, and a variable number of remote acquisition units. Attention is given to the CDMS high rate multiplexer, CDMS tape recorders, closed circuit television for the visual monitoring of payload bay and cabin area activities, methods of science data acquisition, questions of transmission and recording, CDMS experiment computer usage, and experiment electronics.

Mccain, H. G.↗

Multiscale Persistent Functions for Biomolecular Structure Characterization

Here in this paper, we introduce multiscale persistent functions for biomolecular structure characterization. The essential idea is to combine our multiscale rigidity functions (MRFs) with persistent homology analysis, so as to construct a series of multiscale persistent functions, particularly multiscale persistent entropies, for structure characterization. To clarify the fundamental idea of our method, the multiscale persistent entropy (MPE) model is discussed in great detail. Mathematically, unlike the previous persistent entropy (Chintakunta et al. in Pattern Recognit 48(2):391–401, 2015; Merelli et al. in Entropy 17(10):6872–6892, 2015; Rucco et al. in: Proceedings of ECCS 2014, Springer, pp 117–128, 2016), a special resolution parameter is incorporated into our model. Various scales can be achieved by tuning its value. Physically, our MPE can be used in conformational entropy evaluation. More specifically, it is found that our method incorporates in it a natural classification scheme. This is achieved through a density filtration of an MRF built from angular distributions. To further validate our model, a systematical comparison with the traditional entropy evaluation model is done. Additionally, it is found that our model is able to preserve the intrinsic topological features of biomolecular data much better than traditional approaches, particularly for resolutions in the intermediate range. Moreover, by comparing with traditional entropies from various grid sizes, bond angle-based methods and a persistent homology-based support vector machine method (Cang et al. in Mol Based Math Biol 3:140–162, 2015), we find that our MPE method gives the best results in terms of average true positive rate in a classic protein structure classification test. More interestingly, all-alpha and all-beta protein classes can be clearly separated from each other with zero error only in our model. Finally, a special protein structure index (PSI) is proposed, for the first time, to describe the “regularity” of protein structures. Basically, a protein structure is deemed as regular if it has a consistent and orderly configuration. Our PSI model is tested on a database of 110 proteins; we find that structures with larger portions of loops and intrinsically disorder regions are always associated with larger PSI, meaning an irregular configuration, while proteins with larger portions of secondary structures, i.e., alpha-helix or beta-sheet, have smaller PSI. Essentially, PSI can be used to describe the “regularity” information in any systems.

59 BASIC BIOLOGICAL SCIENCES↗

Continuum Model Development for Electrochemical Systems (Statement of Work: Ilenia Battiato Subcontract)

The subcontractor shall provide the services of qualified multiscale modelers to perform tasks that contribute to reaching the objectives of the LDRD project entitled Automated and Accelerated Continuum Model Development for Electrochemical Systems (Tracking number 24-ERD-051). These tasks relate to the development, deployment, and validation of multiscale models relevant to electrochemical systems.

36 MATERIALS SCIENCE↗

Continuum Model Development for Flow and Transport in Electrochemical Systems

Stanford University (Subcontractor) shall provide the services of qualified multiscale modelers to perform tasks that contribute to reaching the objectives of the LDRD project entitled Automated and Accelerated Continuum Model Development for Electrochemical Systems (Tracking number 24-ERD-051). These tasks relate to the development, deployment, and validation of multiscale models relevant to flow and transport in electrochemical systems.

42 ENGINEERING↗

An interactive ontology-driven information system for simulating background radiation and generating scenarios for testing special nuclear materials detection algorithms

This paper describes an original approach to generating scenarios for the purpose of testing the algorithms used to detect special nuclear materials (SNM) that incorporates the use of ontologies. Separating the signal of SNM from the background requires sophisticated algorithms. To assist in developing such algorithms, there is a need for scenarios that capture a very wide range of variables affecting the detection process, depending on the type of detector being used. To provide such a cpability, we developed an ontology-driven information system (ODIS) for generating scenarios that can be used in creating scenarios for testing of algorithms for SNM detection. The ontology-driven scenario generator (ODSG) is an ODIS based on information supplied by subject matter experts and other documentation. The details of the creation of the ontology, the development of the ontology-driven information system, and the design of the web user interface (UI) are presented along with specific examples of scenarios generated using the ODSG. We demonstrate that the paradigm behind the ODSG is capable of addressing the problem of semantic complexity at both the user and developer levels. Compared to traditional approaches, an ODIS provides benefits such as faithful representation of the users' domain conceptualization, simplified management of very large and semantically diverse datasets, and the ability to handle frequent changes to the application and the UI. Furthermore, the approach makes possible the generation of a much larger number of specific scenarios based on limited user-supplied information

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Practical Understanding of Cancer Model Identifiability in Clinical Applications

Mathematical models are a core component in the foundation of cancer theory and have been developed as clinical tools in precision medicine. Modeling studies for clinical applications often assume an individual’s characteristics can be represented as parameters in a model and are used to explain, predict, and optimize treatment outcomes. However, this approach relies on the identifiability of the underlying mathematical models. In this study, we build on the framework of an observing-system simulation experiment to study the identifiability of several models of cancer growth, focusing on the prognostic parameters of each model. Our results demonstrate that the frequency of data collection, the types of data, such as cancer proxy, and the accuracy of measurements all play crucial roles in determining the identifiability of the model. We also found that highly accurate data can allow for reasonably accurate estimates of some parameters, which may be the key to achieving model identifiability in practice. As more complex models required more data for identification, our results support the idea of using models with a clear mechanism that tracks disease progression in clinical settings. For such a model, the subset of model parameters associated with disease progression naturally minimizes the required data for model identifiability.

59 BASIC BIOLOGICAL SCIENCES↗

Stereo-Optic High Definition Imaging: A New Technology to Understand Bird and Bat Avoidance of Wind Turbines

There is a critical need to develop monitoring tools to track aerofauna (birds and bats) in three dimensions around wind turbines. New monitoring systems will reduce permitting uncertainty by increasing the understanding of how birds and bats are interacting with wind turbines, which will improve the accuracy of impact predictions. Biodiversity Research Institute (BRI), The University of Maine Orono School of Computing and Information Science (UMaine SCIS), HiDef Aerial Surveying Limited (HiDef), and SunEdison, Inc. (formerly First Wind) responded to this need by using stereo-optic cameras with near-infrared (nIR) technology to investigate new methods for documenting aerofauna behavior around wind turbines. The stereo-optic camera system used two synchronized high-definition video cameras with fisheye lenses and processing software that detected moving objects, which could be identified in post-processing. The stereo- optic imaging system offered the ability to extract 3-D position information from pairs of images captured from different viewpoints. Fisheye lenses allowed for a greater field of view, but required more complex image rectification to contend with fisheye distortion. The ability to obtain 3-D positions provided crucial data on the trajectory (speed and direction) of a target, which, when the technology is fully developed, will provide data on how animals are responding to and interacting with wind turbines. This project was focused on testing the performance of the camera system, improving video review processing time, advancing the 3-D tracking technology, and moving the system from Technology Readiness Level 4 to 5. To achieve these objectives, we determined the size and distance at which aerofauna (particularly eagles) could be detected and identified, created efficient data management systems, improved the video post-processing viewer, and attempted refinement of 3-D modeling with respect to fisheye lenses. The 29-megapixel camera system successfully captured 16,173 five-minute video segments in the field. During nighttime field trials using nIR, we found that bat-sized objects could not be detected more than 60 m from the camera system. This led to a decision to focus research efforts exclusively on daytime monitoring and to redirect resources towards improving the video post- processing viewer. We redesigned the bird event post-processing viewer, which substantially decreased the review time necessary to detect and identify flying objects. During daytime field trials, we determine that eagles could be detected up to 500 m away using the fisheye wide-angle lenses, and eagle-sized targets could be identified to species within 350 m of the camera system. We used distance sampling survey methods to describe the probability of detecting and identifying eagles and other aerofauna as a function of distance from the system. The previously developed 3-D algorithm for object isolation and tracking was tested, but the image rectification (flattening) required to obtain accurate distance measurements with fish-eye lenses was determined to be insufficient for distant eagles. We used MATLAB and OpenCV to improve fisheye lens rectification towards the center of the image, but accurate measurements towards the image corners could not be achieved. We believe that changing the fisheye lens to rectilinear lens would greatly improve position estimation, but doing so would result in a decrease in viewing angle and depth of field. Finally, we generated simplified shape profiles of birds to look for similarities between unknown animals and known species. With further development, this method could provide a mechanism for filtering large numbers of shapes to reduce data storage and processing. These advancements further refined the camera system and brought this new technology closer to market. Once commercialized, the stereo-optic camera system technology could be used to: a) research how different species interact with wind turbines in order to refine collision risk models and inform mitigation solutions; and b) monitor aerofauna interactions with terrestrial and offshore wind farms replacing costly human observers and allowing for long-term monitoring in the offshore environment. The camera system will provide developers and regulators with data on the risk that wind turbines present to aerofauna, which will reduce uncertainty in the environmental permitting process.

Adams, Evan↗

Multi-scale models of whole cells: progress and challenges

Whole-cell modeling is “the ultimate goal” of computational systems biology and “a grand challenge for 21st century”. These complex, highly detailed models account for the activity of every molecule in a cell and serve as comprehensive knowledgebases for the modeled system. Their scope and utility far surpass those of other systems models. In fact, whole-cell models (WCMs) are an amalgam of several types of “system” models. The models are simulated using a hybrid modeling method where the appropriate mathematical methods for each biological process are used to simulate their behavior. Given the complexity of the models, the process of developing and curating these models is labor-intensive and to date only a handful of these models have been developed. While whole-cell models provide valuable and novel biological insights, and to date have identified some novel biological phenomena, their most important contribution has been to highlight the discrepancy between available data and observations that are used for the parametrization and validation of complex biological models. Another realization has been that current whole-cell modeling simulators are slow and to run models that mimic more complex (e.g., multi-cellular) biosystems, those need to be executed in an accelerated fashion on high-performance computing platforms. In this manuscript, we review the progress of whole-cell modeling to date and discuss some of the ways that they can be improved.

59 BASIC BIOLOGICAL SCIENCES↗

Experiences Detecting Defective Hardware in Exascale Supercomputers

In May 2022, the newest supercomputer to top the TOP 500 list was Frontier at Oak Ridge National Laboratory, demonstrating the capability of computing more than 1.1 quintillion (1018) floating-point calculations every second. Driving this ground-breaking rate of computing is Frontier’s more than 37,000 graphics processing units (GPUs) and 9,408 central processing units (CPUs). In total, Frontier contains more than 60 million parts. At this scale, the smallest margin of error may generate hundreds of hardware errors across the system. These errors are capable of directly hindering world-class science performed on Frontier if not found. In this work, we describe and evaluate two strategies for finding hardware-level faults in Frontier’s 9,408 compute nodes. There are two strategies developed: the first uses the Slurm scheduler to scavenge available compute time to run the node screen, the second builds upon the lessons learned in the first strategy and enforces a weekly screen of each node. Using June 2023 as a case study, we find that the first scheduling strategy consumed more than ten times the resources as the second scheduling strategy, but successfully detected five hardware defects in Frontier. We summarize the lessons learned while developing and running a node screen on the world’s first exascale supercomputer.

Hagerty, Nick↗

On applications of quantum computing to plasma simulations

Quantum computing is gaining increased attention as a potential way to speed up simulations of physical systems, and it is also of interest to apply it to simulations of classical plasmas. However, quantum information science is traditionally aimed at modeling linear Hamiltonian systems of a particular form that is found in quantum mechanics, so extending the existing results to plasma applications remains a challenge. Here, we report a preliminary exploration of the long-term opportunities and likely obstacles in this area. First, we show that many plasma-wave problems are naturally representable in a quantumlike form and thus are naturally fit for quantum computers. Second, we consider more general plasma problems that include non-Hermitian dynamics (instabilities, irreversible dissipation) and nonlinearities. We show that by extending the configuration space, such systems can also be represented in a quantumlike form and thus can be simulated with quantum computers too, albeit that requires more computational resources compared to the first case. Third, we outline potential applications of hybrid quantum–classical computers, which include analysis of global eigenmodes and also an alternative approach to nonlinear simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

University of Rhode Island Regional Earth Systems Center

The primary objective of this program was to establish the URI Regional Earth System Center (“Center”) that would enhance overall societal wellbeing (health, financial, environmental) by utilizing the best scientific information and technology to achieve optimal policy decisions with maximum stakeholder commitment for energy development, coastal environmental management, water resources protection and human health protection, while accelerating regional economic growth. The Center was to serve to integrate existing URI institutional strengths in energy, coastal environmental management, water resources, and human wellbeing. This integrated research, educational and public/private sector outreach Center was to focus on local, state and regional resources. The centerpiece activity of the Center was in the development and implementation of integrated assessment models (IAMs) that both ‘downscaled’ global observations and interpolated/extrapolated regional observations for analyzing the complexity of interactions among humans and the natural climate system to further our understanding and, ultimately, to predict the future state of our regional earth system. The Center was to begin by first ‘downscaling’ existing global earth systems management tools for studying the causes of local, state and regional climate change and potential social and environmental consequences, with a focus on the regional resources identified above. The Center would ultimately need to address the full feedbacks inherent in the nonlinear earth systems by quantifying the “upscaled” impacts of those regional changes on the global earth system. Through an interacting suite of computer simulations that are informed by observations from the nation’s evolving climate observatories, the Center activities integrates climate science, technology, economics, and social policy into forecasts that will inform solutions to pressing issues in regional climate change science, ‘green economy’ investment and climate policy. These project objectives were designed as part of a 5-year program, which would have constituted the initial phase for the establishment of the Center. Almost immediately (i.e. before receiving even the first year of funding) we were informed that we would not be receiving any funding beyond the initial phase; one year. This seriously impacted our ability to deliver on our objectives and, with that, a re-scoping of the Center priorities was designed to fit the 1-year constraints on funding. It was decided that, given the Center’s emphasis on building IAMs, the best way to proceed was to first focus on one particularly important component of the IAM – a natural sciences model that would be useful for research and forecasting of the circualation/ecology/biogeochemistry of RI’s coastal waters. We have succeeded on that necessarily more limited objective, as we will describe below.

54 ENVIRONMENTAL SCIENCES↗