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At least 1,603 records · Page 89

Comparison of Deterministic and Statistical Models for Water Quality Compliance Forecasting in the San Joaquin River Basin, California

Model selection for water quality forecasting depends on many factors including analyst expertise and cost, stakeholder involvement and expected performance. Water quality forecasting in arid river basins is especially challenging given the importance of protecting beneficial uses in these environments and the livelihood of agricultural communities. In the agriculture-dominated San Joaquin River Basin of California, real-time salinity management (RTSM) is a state-sanctioned program that helps to maximize allowable salt export while protecting existing basin beneficial uses of water supply. The RTSM strategy supplants the federal total maximum daily load (TMDL) approach that could impose fines associated with exceedances of monthly and annual salt load allocations of up to $1 million per year based on average year hydrology and salt load export limits. The essential components of the current program include the establishment of telemetered sensor networks, a web-based information system for sharing data, a basin-scale salt load assimilative capacity forecasting model and institutional entities tasked with performing weekly forecasts of river salt assimilative capacity and scheduling west-side drainage export of salt loads. Web-based information portals have been developed to share model input data and salt assimilative capacity forecasts together with increasing stakeholder awareness and involvement in water quality resource management activities in the river basin. Two modeling approaches have been developed simultaneously. The first relies on a statistical analysis of the relationship between flow and salt concentration at three compliance monitoring sites and the use of these regression relationships for forecasting. The second salt load forecasting approach is a customized application of the Watershed Analysis Risk Management Framework (WARMF), a watershed water quality simulation model that has been configured to estimate daily river salt assimilative capacity and to provide decision support for real-time salinity management at the watershed level. Analysis of the results from both model-based forecasting approaches over a period of five years shows that the regression-based forecasting model, run daily Monday to Friday each week, provided marginally better performance. However, the regression-based forecasting model assumes the same general relationship between flow and salinity which breaks down during extreme weather events such as droughts when water allocation cutbacks among stakeholders are not evenly distributed across the basin. A recent test case shows the utility of both models in dealing with an exceedance event at one compliance monitoring site recently introduced in 2020.

54 ENVIRONMENTAL SCIENCES↗

Land image data processing requirements for the EOS era

Requirements are proposed for a hybrid approach to image analysis that combines the functionality of a general-purpose image processing system with the knowledge representation and manipulation capabilities associated with expert systems to improve the productivity of scientists in extracting information from remotely sensed image data. The overall functional objectives of the proposed system are to: (1) reduce the level of human interaction required on a scene-by-scene basis to perform repetitive image processing tasks; (2) allow the user to experiment with ad hoc rules and procedures for the extraction, description, and identification of the features of interest; and (3) facilitate the derivation, application, and dissemination of expert knowledge for target recognition whose scope of application is not necessarily limited to the image(s) from which it was derived.

Wharton, Stephen W.↗

Orbit transfer rocket engine technology program

An advanced near term (1990's) space-based Orbit Transfer Vehicle Engine (OTVE) system was designed, and the technologies applicable to its construction, maintenance, and operations were developed under Tasks A through F of the Orbit Transfer Rocket Engine Technology Program. Task A was a reporting task. In Task B, promising OTV turbomachinery technologies were explored: two stage partial admission turbines, high velocity ratio diffusing crossovers, soft wear ring seals, advanced bearing concepts, and a rotordynamic analysis. In Task C, a ribbed combustor design was developed. Possible rib and channel geometries were chosen analytically. Rib candidates were hot air tested and laser velocimeter boundary layer analyses were conducted. A channel geometry was also chosen on the basis of laser velocimeter data. To verify the predicted heat enhancement effects, a ribbed calorimeter spool was hot fire tested. Under Task D, the optimum expander cycle engine thrust, performance and envelope were established for a set of OTV missions. Optimal nozzle contours and quick disconnects for modularity were developed. Failure Modes and Effects Analyses, maintenance and reliability studies and component study results were incorporated into the engine system. Parametric trades on engine thrust, mixture ratio, and area ratio were also generated. A control system and the health monitoring and maintenance operations necessary for a space-based engine were outlined in Task E. In addition, combustor wall thickness measuring devices and a fiberoptic shaft monitor were developed. These monitoring devices were incorporated into preflight engine readiness checkout procedures. In Task F, the Integrated Component Evaluator (I.C.E.) was used to demonstrate performance and operational characteristics of an advanced expander cycle engine system and its component technologies. Sub-system checkouts and a system blowdown were performed. Short transitions were then made into main combustor ignition and main stage operation.

Gustafson, N. B.↗

ISS Propulsion Module Crew Systems Interface Analysis in the Intelligent Synthesis Environment

ERGO, a human modeling software for ergonomic assessment and task analysis, was used for the crew systems interface analysis of the International Space Station (ISS) Propulsion Module (PM). The objective of analysis was to alleviate passageway size concerns. Three basic passageway configuration concepts: (1) 45" clear passageway without centerline offset (2) 50" clear passageway, 12" centerline offset, (3) 50" clear passageway, no centerline offset, and were reviewed. 95 percentile male and female models which were provided by the software performed crew system analysis from an anthropometric point of view. Four scenarios in which the crew floats in microgravity through a 50" no-offset passageway as they carry a 16" x 20" x 30" avionics box were simulated in the 10-weeks of intensive study. From the results of the analysis, concept (3) was the preferred option. A full scale, three-dimensional virtual model of the ISS Propulsion Module was created to experience the sense of the Intelligent Synthesis Environment and to evaluate the usability and applicability of the software.

Chen, Di-Wen↗

Verification and Validation in NASA-CUIP LOX/methane Injector Research Efforts

The NASA-CUIP program is supporting experimental and modeling/computational research efforts investigating wall heat flux characteristics of LOX/methane single-element injectors. A Verification and Validation (V&V) task has begun with the objective of quantifying the degree of accuracy of the models for wall heat flux distributions at specific sets of conditions. The V&V approach used is that being drafted as a standard by the ASME Performance Test Codes Committee, PTC 61: Verification and Validation in Computational Fluid Dynamics and Heat Transfer. The approach is based on well-established concepts from experimental uncertainty analysis. Initially the V&V and uncertainty estimation efforts will use data obtained previously in the same facility using oxygen/hydrogen in single-element injector testing. In this paper the V&V process, experimental facility, and computer code are described, and approaches to estimating the associated uncertainties are discussed.

Coleman, Hugh W.↗

Wallops' Low Elevation Link Analysis for the Constellation Launch/Ascent Links

Prior to the redirection of the Constellation Program, the Wallops 11.3-meter ground station was tasked to support the Orion's Dissimilar Voice (DV) link and the Ares's Development Flight Instrument (DFI) link. Detailed analysis of the launch trajectories indicates that during the launch and ascent operation, the critical events of Orion-Ares main engine cut off (MECO) and Separation occur at low elevation angle. We worked with engineers from both Wallops Flight Facility (WFF) and Johnson Space Center (JSC) to perform an intensive measurement and link analysis campaign on the DV and DFI links. The main results were as follows: (1) The DV links have more than 3 dB margin at MECO and Separation. (2) The DFI links have 0 dB margin at Separation during certain weather condition in summer season. (3) Tropospheric scintillation loss is the major impairment at low elevation angle. (4) The current scintillation models in the Recommendation ITU-R P.618 (Propagation data and prediction methods required for the design of Earth-space telecommunication systems), which are based on limited experimental and theoretical work, exhibit idiosyncratic behaviors. We developed an improved model based on the measurements of recent Shuttle mission launch and ascent links and the ITU propagation data. (5) Due to the attitude uncertainty of the Orion-Ares stack, the high dynamics of the launch and ascent trajectory, and the irregularity of the Orion and Ares antenna patterns, we employed new link analysis approach to model the spacecraft antenna gain. In this paper we discuss the details of the aforementioned results.

Cheung, Kar-Ming↗

Solar thermal plant impact analysis and requirements definition

Progress on a continuing study comprising of ten tasks directed at defining impact and requirements for solar thermal power systems (SPS), 1 to 10 MWe each in capacity, installed during 1985 through year 2000 in a utility or a nonutility load in the United States is summarized. The point focus distributed receiver (PFDR) solar power systems are emphasized. Tasks 1 through 4, completed to date, include the development of a comprehensive data base on SPS configurations, their performance, cost, availability, and potential applications; user loads, regional characteristics, and an analytic methodology that incorporates the generally accepted utility financial planning methods and several unique modifications to treat the significant and specific characteristics of solar power systems deployed in either central or distributed power generation modes, are discussed.

Gupta, Y. P.↗

NASA Tech Briefs, November 2009

Topics covered include: Cryogenic Chamber for Servo-Hydraulic Materials Testing; Apparatus Measures Thermal Conductance Through a Thin Sample from Cryogenic to Room Temperature; Rover Attitude and Pointing System Simulation Testbed; Desktop Application Program to Simulate Cargo-Air-Drop Tests; Multimodal Friction Ignition Tester; Small-Bolt Torque-Tension Tester; Integrated Spacesuit Audio System Enhances Speech Quality and Reduces Noise; Hardware Implementation of a Bilateral Subtraction Filter; Simple Optoelectronic Feedback in Microwave Oscillators; Small X-Band Oscillator Antennas; Free-Space Optical Interconnect Employing VCSEL Diodes; Discrete Fourier Transform Analysis in a Complex Vector Space; Miniature Scroll Pumps Fabricated by LIGA; Self-Assembling, Flexible, Pre-Ceramic Composite Preforms; Flight-speed Integral Image Analysis Toolkit; Work Coordination Engine; Multi-Mission Automated Task Invocation Subsystem; Autonomously Calibrating a Quadrupole Mass Spectrometer; Determining Spacecraft Reaction Wheel Friction Parameters; Composite Silica Aerogels Opacified with Titania; Multiplexed Colorimetric Solid-Phase Extraction; Detecting Airborne Mercury by Use of Polymer/Carbon Films; Lattice-Matched Semiconductor Layers on Single Crystalline Sapphire Substrate; Pressure-Energized Seal Rings to Better Withstand Flows; Rollerjaw Rock Crusher; Microwave Sterilization and Depyrogenation System; Quantifying Therapeutic and Diagnostic Efficacy in 2D Microvascular Images; NiF2/NaF:CaF2/Ca Solid-State High-Temperature Battery Cells; Critical Coupling Between Optical Fibers and WGM Resonators; Microwave Temperature Profiler Mounted in a Standard Airborne Research Canister; Alternative Determination of Density of the Titan Atmosphere; Solar Rejection Filter for Large Telescopes; Automated CFD for Generation of Airfoil Performance Tables; Progressive Classification Using Support Vector Machines; Active Learning with Irrelevant Examples; A Data Matrix Method for Improving the Quantification of Element Percentages of SEM/EDX Analysis; Deployable Shroud for the International X-Ray Observatory; Improved Model of a Mercury Ring Damper; Optoelectronic pH Meter: Further Details; X-38 Advanced Sublimator; and Solar Simulator Represents the Mars Surface Solar Environment.

Source record↗

Optimization of tomographic reconstruction workflows on geographically distributed resources

New technological advancements in synchrotron light sources enable data acquisitions at unprecedented levels. This emergent trend affects not only the size of the generated data but also the need for larger computational resources. Although beamline scientists and users have access to local computational resources, these are typically limited and can result in extended execution times. Applications that are based on iterative processing as in tomographic reconstruction methods require high-performance compute clusters for timely analysis of data. Here, time-sensitive analysis and processing of Advanced Photon Source data on geographically distributed resources are focused on. Two main challenges are considered: (i) modeling of the performance of tomographic reconstruction workflows and (ii) transparent execution of these workflows on distributed resources. For the former, three main stages are considered: (i) data transfer between storage and computational resources, (i) wait/queue time of reconstruction jobs at compute resources, and (iii) computation of reconstruction tasks. These performance models allow evaluation and estimation of the execution time of any given iterative tomographic reconstruction workflow that runs on geographically distributed resources. For the latter challenge, a workflow management system is built, which can automate the execution of workflows and minimize the user interaction with the underlying infrastructure. The system utilizes Globus to perform secure and efficient data transfer operations. The proposed models and the workflow management system are evaluated by using three high-performance computing and two storage resources, all of which are geographically distributed. Workflows were created with different computational requirements using two compute-intensive tomographic reconstruction algorithms. Experimental evaluation shows that the proposed models and system can be used for selecting the optimum resources, which in turn can provide up to 3.13× speedup (on experimented resources). Furthermore, the error rates of the models range between 2.1 and 23.3% (considering workflow execution times), where the accuracy of the model estimations increases with higher computational demands in reconstruction tasks.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Towards Resilient Near Real-Time Analysis Workflows in Fusion Energy Science

Nuclear fusion holds the promise of an endless source of energy. Several research experiments across the world and joint modeling and simulation efforts between the nuclear physics and high performance computing communities are actively preparing the operation of the International Thermonuclear Experimental Reactor (ITER). Both experimental reactors and their simulated counterparts generate data that must be analyzed quickly and in a resilient way to support decision making for the configuration of subsequent runs or prevent a catastrophic failure. However, the cost if the traditional techniques used to improve the resilience of analysis workflows, i.e., replicating datasets and computational tasks, becomes prohibitive with explosion of the volume of data produced by modern instruments and simulations. Therefore, we advocate in this paper for an alternate approach based on data reduction and data streaming. The rationale is that by allowing for a reasonable, controlled, and guaranteed loss of accuracy it becomes possible to transfer smaller amounts of data, shorten the execution time of analysis workflows, and lower the cost of replication to increase resilience. We develop our research and development roadmap towards resilient near real-time analysis workflows in fusion energy science and present early results showing that data streaming and data reduction is a promising way to speed up the execution and improve the resilience of analysis workflows.

Suter, Fred↗

LLM Benchmarking with LLaMA2: Evaluating Code Development Performance Across Multiple Programming Languages

The rapid evolution of large language models (LLMs) has opened new possibilities for automating various tasks in software development. This paper evaluates the capabilities of the LLaMA 2-70B model in automating these tasks for scientific applications written in commonly used programming languages. Using representative test problems, we assess the model's capacity to generate code, documentation, and unit tests, as well as its ability to translate existing code between commonly used programming languages. Our comprehensive analysis evaluates the compilation, runtime behavior, and correctness of the generated and translated code. Additionally, we assess the quality of automatically generated code, documentation, and unit tests. Here, our results indicate that while LLaMA 2-70B frequently generates syntactically correct and functional code for simpler numerical tasks, it encounters substantial difficulties with more complex, parallelized, or distributed computations, requiring considerable manual corrections. We identify key limitations and suggest areas for future improvements to better leverage AI-driven automation in scientific computing workflows.

97 MATHEMATICS AND COMPUTING↗

Performance of an optimized rotor blade at off-design flight conditions

An investigation is made of the dynamic and aerodynamic performance of a helicopter rotor previously optimized for minimum 4/rev vertical shear and blade weight subject to certain dynamic and structural constraints. The program CAMRAD which was used in designing the optimized blade is used for both dynamic and aerodynamic analysis. The behavior of the optimized rotor is analyzed over a wide range of operating conditions and for a larger number rotor characteristics than those considered in designing the blade. To assess the dynamic behavior, the blade root vibratory shears and moments that are transmitted to the rotor hub are calculated. The aerodynamic performance assessments are made based on the power required by the rotor for a given rotor task, the rotor lifting efficiencies, maximum rotor thrust envelopes and the control margins. Results are presented for the optimized blade and the reference blade which was used as the baseline for the optimized blade, for two rotor tasks.

Chattopadhyay, Aditi↗

Mesh Deformation Based on Fully Stressed Design: The Method and Two-Dimensional Examples

Mesh deformation in response to redefined boundary geometry is a frequently encountered task in shape optimization and analysis of fluid-structure interaction. We propose a simple and concise method for deforming meshes defined with three-node triangular or four-node tetrahedral elements. The mesh deformation method is suitable for large boundary movement. The approach requires two consecutive linear elastic finite-element analyses of an isotropic continuum using a prescribed displacement at the mesh boundaries. The first analysis is performed with homogeneous elastic property and the second with inhomogeneous elastic property. The fully stressed design is employed with a vanishing Poisson s ratio and a proposed form of equivalent strain (modified Tresca equivalent strain) to calculate, from the strain result of the first analysis, the element-specific Young s modulus for the second analysis. The theoretical aspect of the proposed method, its convenient numerical implementation using a typical linear elastic finite-element code in conjunction with very minor extra coding for data processing, and results for examples of large deformation of two-dimensional meshes are presented in this paper. KEY WORDS: Mesh deformation, shape optimization, fluid-structure interaction, fully stressed design, finite-element analysis, linear elasticity, strain failure, equivalent strain, Tresca failure criterion

Hsu, Su-Yuen↗

Conditions of the Toll-Like Receptors System of the Human Innate Immunity Cells During the Long-Term Isolation

During long duration missions onboard the International Space Station (ISS), alterations in T cell function and plasma cytokine profiles have been observed. Recent studies involving pattern recognition receptors (PRRs) have established that adaptation of innate immunity to long duration space flight occurs through changes in signal PRRs, Toll-like receptors (TLRs). Despite the fact that fundamental research of PRR molecular biology is far from complete, there are an increasing number of arguments confirming the important role of this system in regulating the initial stages of the adaptive immune response, as well as in the formation of autoimmune and allergic diseases. Long duration isolation is widely used by NASA as an analog for space flight with previous missions including several Antarctic bases, an undersea research station (NEEMO), and other isolation chambers. ‘SIRIUS’ is a multi-compartment pressurized facility at the IMBP in Moscow, Russia, in which subjects will spend 8 months executing tasks similar to those performed by astronauts in space. Prolonged isolation studies like SIRIUS replicate many of the influences expected to occur during long duration spaceflight missions including isolation, stress, confinement, and living in remote conditions. The immune study to be performed on the upcoming SIRIUS mission is being led by Dr. Sergey Ponomarev at the Institute of Biomedical Problems in Moscow, Russia. The NASA JSC Immunology lab will provide analysis of immune cell function, serum cytokines and stress hormones, and salivary cortisol, cytokines, and viruses. This study will be conducted with SIRIUS subjects under the auspices of the parent program. The goal of the study is to evaluate the effect of the 8-month isolation mission on components of human innate immunity at the molecular and cellular level. Successful implementation and completion of this project will provide a unique assortment of new data, significantly expanding the current understanding of the molecular and cellular changes in TLRs during long-term isolation. We hypothesize that mission-like isolation in the Russian NEK facility, consisting of circadian misalignment, isolation, stress, and ‘station lifestyle’, will result in a pattern of immune dysregulation similar to that observed in astronauts onboard ISS. This pattern of alterations can be summarized as phenotypic changes (altered distribution of peripheral cytotoxic, central memory, CD8+ T cell subsets), reductions in T cell function, alterations in plasma cytokine profiles (increased inflammatory and certain chemokines), and reductions in mitogen stimulated cytokine profiles (spans Th1, Th2, Th17). We further hypothesize that these immune changes will correlate with the reactivation of latent herpesviruses (which persists during orbital flight), to be used as measurable adverse clinical manifestation or with other observed symptomology. The SIRIUS-21 mission began in November of 2021 and successfully concluded with the crew emerging in July of 2022. Currently, the logistics of shipping the samples from Russia to the United States is being organized.

Cody L Gutierrez↗

Lunar Wormbot: Design and Development of a Ground Base Robotic Tunneling Worm for Operation in Harsh Environments

From 1969 to 1972, the National Aeronautics and Space Administration (NASA) sent Apollo missions to the moon to conduct various exploration experiment. A few of the missions were directed to the study and sampling of moon soil, otherwise known as lunar regolith. The extent of the sample acquisition was limited due to the astronauts' limited ability to penetrate the moon's surface to a depth greater than three meters. However. the samples obtained were sufficient enough to provide key information pertaining to lunar regolith material properties that would further assist in future exploration endeavors. Analysis of the collected samples showed that the properties of lunar regolith may lead to knowledge of processed materials that will be beneficial for future human exploration or colonization. However, almost 40 years after the last Apollo mission, limited infonnation is known about regions underneath the moon's surface. Future lunar missions will require hardware that possesses the ability to burrow to greater depths in order to collect samples for subsequent analysis. During the summer of 2010, a team (Dr. Jessica Gaskin, Michael Kuhlman. Blaze Sanders, and Lafe Zabowski) from the NASA Robotics Academy at Marshall Space Flight Center (MSFC) was given the task of designing a robot to function as a soil collection and analysis device. Working with the National Space Science and Technology Center (NSSTC), the team was able to propose an initial design, build a prototype, and test the various subsystems of the prototype to be known as the "Lunar Wormbot" (LW). The NASA/NSSTC team then transferred the project to a University of Alabama in Huntsville (UAH) Mechanical and Aerospace Engineering (MAE) senior design class for further development. The UAH team was to utilize the NASA Systems Engineering Engine Design Process in the continuance of the Lunar Wormbot project. This process was implemented in order to coordinate the efforts of the team and guide the design of the project to ensure a high quality product that met requirements within the academic year timeframe. When the transition from the NASA NSSTC team to the UAH team occurred in August 2010, the scope and requirements were provided to the UAH team. The main objective for the UAH team was to design and fabricate a robotic burrowing prototype using peristaltic or earthworm-like motion with the purpose of collecting soil samples. The team was tasked with the design of a sub-system of the LW called the locomotive, or active, segment. Through the design process, the team extensively reviewed the requirements and functions to be performed of the LW, which led to the proposal of a final design. The present paper provides the details of the development of the design up to and including the Critical Design Review (CDR) of the Lunar Wormbot. This document briefly describes thc overall system and its function but primarily focuses on the design and implementation of the locomotive segment. Content presented includes: general design and system functionality, technical drawings, system analysis, manufacturing methods, and general project costs.

Boyles, Charles↗

Energy Intensity Baselining and Tracking Guidance

Each company joining the U.S. Department of Energy’s (DOE’s) Better Buildings, Better Plants Program (Better Plants) commits to establishing an energy consumption and energy intensity (EI) baseline and to tracking its energy performance over a 10-year period against that baseline. The baseline must reflect a company’s energy consumption over a 12-month period, covering all its U.S.-based operations. Energy consumption is calculated by fuel type in terms of primary energy (also known as source energy). EI is broadly defined as the amount of energy consumed per unit of output produced. For this guidance document and for the program, the term energy performance represents an evaluation of a facility’s capacity to use energy efficiently. Metrics used to assess a facility’s energy performance can include EI, energy consumption, improvements in EI, etc. Establishing an energy baseline and tracking system is a critical first step in effectively managing energy use. Developing a baseline can help a company understand energy use within the corporation and give it a point of comparison to evaluate future efforts to improve energy performance. It can also support efforts to validate a company’s energy management activities, improve comparative analyses when using benchmarks, and help in predicting future energy needs. In addition, a company that normalizes its performance data can determine highly defensible measures of energy savings generated through implemented energy efficiency projects. Establishing a baseline and tracking energy performance is also a requirement for ISO 50001 certification. Although basic energy data can be collected through utility bills, most manufacturers will have to perform additional analyses to develop accurate and robust energy baselines and tracking systems. Energy is consumed in many ways within the manufacturing sector and can come from multiple sources. Energy is sometimes generated and sold to other parties or captured and reused on-site. External events can exert a significant impact on a facility or company’s energy use independent of any purposeful efforts to improve energy efficiency. Operational changes, such as production shifts—which may be inevitable for some companies over the 10-year period covered by the program—can also make a big difference in energy use. Since Better Plants asks companies to account for all their U.S.-based operations, mergers, acquisitions, and divestitures can also have significant implications for a company’s energy metrics. This document aims to demystify the sometimes complex baselining process. It devotes special attention to the task of normalizing and adjusting energy consumption to account for external factors, such as weather and production changes. A key recommendation is that companies use regression analysis to normalize their energy consumption data whenever possible. Regression analysis is a statistical technique that estimates the dependence of a variable (i.e., energy use in the context of Better Plants) on one or more independent variables such as ambient temperature, while controlling for the influence of other variables at the same time. A properly developed regression analysis can provide a reliable estimate of energy savings resulting from energy improvement strategies and projects by accounting for the effects of variables such as annual production levels and weather. DOE has developed a companion Energy Performance Indicator software tool (EnPI) to simplify the baselining process. This tool can run regression models, calculate changes in EI at the facility level, and automatically compile facility-level data into a corporate-wide metric. Note that although the relevant equations used to calculate EI are provided in this document, the EnPI tool will automatically perform most calculations for the user. Additionally, Better Plants Partners (Partners) can call on their Technical Account Manager (TAM) to help them establish a baseline and assist with the necessary calculations to track progress.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Generalization Across Experimental Parameters in Neural Network Analysis of High-Resolution Transmission Electron Microscopy Datasets

Neural networks are promising tools for high-throughput and accurate transmission electron microscopy (TEM) analysis of nanomaterials, but are known to generalize poorly on data that is “out-of-distribution” from their training data. Given the limited set of image features typically seen in high-resolution TEM imaging, it is unclear which images are considered out-of-distribution from others. Here, we investigate how the choice of metadata features in the training dataset influences neural network performance, focusing on the example task of nanoparticle segmentation. We train and validate neural networks across curated, experimentally collected high-resolution TEM image datasets of nanoparticles under various imaging and material parameters, including magnification, dosage, nanoparticle diameter, and nanoparticle material. Overall, we find that our neural networks are not robust across microscope parameters, but do generalize across certain sample parameters. Additionally, data preprocessing can have unintended consequences on neural network generalization. Our results highlight the need to understand how dataset features affect deployment of data-driven algorithms.

42 ENGINEERING↗

Characterization and identification of HPC applications at leadership computing facility

High Performance Computing (HPC) is an important method for scientific discovery via large-scale simulation, data analysis, or artificial intelligence. Leadership-class supercomputers are expensive, but essential to run large HPC applications. The Petascale era of supercomputers began in 2008, with the first machines achieving performance in excess of one petaflops, and with the advent of new supercomputers in 2021 (e.g., Aurora, Frontier), the Exascale era will soon begin. However, the high theoretical computing capability (i.e., peak FLOPS) of a machine is not the only meaningful target when designing a supercomputer, as the resources demand of applications varies. A deep understanding of the characterization of applications that run on a leadership supercomputer is one of the most important ways for planning its design, development and operation. In order to improve our understanding of HPC applications, user demands and resource usage characteristics, we perform correlative analysis of various logs for different subsystems of a leadership supercomputer. This analysis reveals surprising, sometimes counter-intuitive patterns, which, in some cases, conflicts with existing assumptions, and have important implications for future system designs as well as supercomputer operations. For example, our analysis shows that while the applications spend significant time on MPI, most applications spend very little time on file I/O. Combined analysis of hardware event logs and task failure logs show that the probability of a hardware FATAL event causing task failure is low. Combined analysis of control system logs and file I/O logs reveals that pure POSIX I/O is used more widely than higher level parallel I/O. Based on holistic insights of the application gained through combined and co-analysis of multiple logs from different perspectives and general intuition, we engineer features to "fingerprint" HPC applications. We use t-SNE (a machine learning technique for dimensionality reduction) to validate the explainability of our features and finally train machine learning models to identify HPC applications or group those with similar characteristic. To the best of our knowledge, this is the first work that combines logs on file I/O, computing, and inter-node communication for insightful analysis of HPC applications in production.

Liu, Zhengchun↗