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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 163 records · Page 9

Exploratory Data analysis ENvironment eXtreme scale (EDENx)

EDENx is a multivariate data visualization tool that allows interactive user driven analysis of large-scale data sets with high dimensionality. EDENx builds on our earlier system, called EDEN to enable analysis of more dimensions and larger scale data sets. EDENx provides an initial overview of summary statistics for each variable in the data set under investigation. EDENx allows the user to interact with graphical summary plots of the data to investigate subsets and their statistical associations. These plots include histograms, binned scatterplots, binned parallel coordinate plots, timeline plots, and graphical correlation indicators. From the EDENx interface, a user can select a subsample of interest and launch a more detailed data visualization via the EDEN system. EDENx is best suited for high-level, aggregate analysis tasks while EDEN is more appropriate for detail data investigations.

Steed, Chad Allen↗

Henson v1.0

Modern scientific and engineering simulations track the time evolution of billions of elements. For such large runs, storing most time steps for later analysis is not a viable strategy. It is far more efficient to analyze the simulation data while it is still in memory. The developers present a novel design for running multiple codes in situ: using coroutines and position-independent executables they enable cooperative multitasking between simulation and analysis, allowing the same executables to post-process simulation output, as well as to process it on the fly, both in situ and in transit. They present Henson, an implementation of our design, and illustrate its versatility by tackling analysis tasks with different computational requirements. Our design differs significantly from the existing frameworks and offers an efficient and robust approach to integrating multiple codes on modern supercomputers. The presented techniques can also be integrated into other in situ frameworks.

Monozov, Dmitriy↗

A Review on Machine Learning for Neutrino Experiments

Neutrino experiments study the least understood of the Standard Model particles by observing their direct interactions with matter or searching for ultra-rare signals. The study of neutrinos typically requires overcoming large backgrounds, elusive signals, and small statistics. The introduction of state-of-the-art machine learning tools to solve analysis tasks has made major impacts to these challenges in neutrino experiments across the board. Machine learning algorithms have become an integral tool of neutrino physics, and their development is of great importance to the capabilities of next generation experiments. An understanding of the roadblocks, both human and computational, and the challenges that still exist in the application of these techniques is critical to their proper and beneficial utilization for physics applications. This review presents the current status of machine learning applications for neutrino physics in terms of the challenges and opportunities that are at the intersection between these two fields.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Performance Evaluation of Python Based Data Analytics Frameworks in Summit: Early Experiences

The explosion in the volumes of data generated from ever-larger simulation campaigns and experiments or observations necessitates competent tools for data wrangling and analysis). While the Oak Ridge Leadership Computing Facility (OLCF) provides a variety of tools to perform data wrangling and data analysis tasks, Python based tools often lack scalability, or the ability to fully exploit the computational capability of OLCF’s Summit supercomputer. NVIDIA RAPIDS and Dask offer a promising solution to accelerate and distribute data analytics workloads from personal computers to heterogeneous supercomputing systems. We discuss early performance evaluation results of RAPIDS and Dask on Summit to understand their capabilities, scalability, and limitations. Our evaluation includes a subset of RAPIDS libraries, i.e., cuDF, cuML, and cuGraph, and Chainer’s CuPy, and their multi-GPU variants when available.We also draw on the observed trends from the performance evaluation results to discuss best practices for maximizing performance.

Hernandez Arreguin, Benjamin↗

Heterogeneous Visualization: A Call for Empirically Driven Technology Advancement and Adoption; Preprint

Our ability to generate data from simulations and experimental platforms is generally outpacing our ability to analyze those data efficiently and effectively. There are a growing number and variety of possible visualization display modalities, from commodity head-mounted displays to large-scale immersive environments, from desktop and touch displays to high-resolution display walls. Many of these visualization technologies and visual environments are rapidly evolving and could revolutionize analysis for certain classes of complex scientific and engineering data. However, the choice of what technology or combination of technologies to use has historically been largely ad hoc and lacks a carefully validated understanding of how to best utilize different visualization technologies to advance the science. To maximize the impact of our data and analyses, it is imperative that we use the most effective visualization environments for the analysis task at hand.

heterogeneous visualization↗

PV Validation Hub

The Validation Hub will be a clearinghouse for the transfer of novel algorithms and software from the PV research community to industry. Potential algorithms tested in the Hub could include the estimation of various PV loss factors and the detection of various operational issues. The primary function of the Hub will be for developers to submit executable code which will run on hosted data sets. Developers will receive private reports on the accuracy and performance (e.g., run-time) of the submitted algorithms, and public high level summaries will be hosted. These summaries will indicate the organization who submitted the algorithm (e.g., links to GitHub pages, documentation websites, etc.), high-level accuracy metrics, and standardized performance metrics. These results will be stored in a publicly available database, accessible through the Hub, with the ability for users to sort and filter the results. In short, the Hub will be presented to public users as a collection of interactive leaderboards, organized around specific analysis tasks pertinent to the PV data science community. These tasks include things such as the estimation of various PV loss factors and the detection of various operational issues. We will present progress on the development of this hub, including preliminary results of comparative validation of PV data science algorithms and progress towards building the platform itself.

algorithm↗

Task Decomposition in Human Reliability Analysis

In the probabilistic safety assessments (PSAs) used in the nuclear industry, human failure events (HFEs) are determined as a subset of hardware failures, namely those hardware failures that could be triggered by human action or inaction. This approach is top-down, starting with hardware faults and deducing human contributions to those faults. Elsewhere, more traditionally human factors driven approaches would tend to look at opportunities for human errors first in a task analysis and then identify which of those errors is risk significant. The intersection of top-down and bottom-up approaches to defining HFEs has not been carefully studied. Ideally, both approaches should arrive at the same set of HFEs. This question remains central as human reliability analysis (HRA) methods are generalized to new domains like oil and gas. The HFEs used in nuclear PSAs tend to be top-down— defined as a subset of the PSA—whereas the HFEs used in petroleum quantitative risk assessments (QRAs) are more likely to be bottom-up—derived from a task analysis conducted by human factors experts. The marriage of these approaches is necessary in order to ensure that HRA methods developed for top-down HFEs are also sufficient for bottom-up applications.

error of commission↗

Traveler: Navigating Task Parallel Traces for Performance Analysis

Understanding the behavior of software in execution is a key step in identifying and fixing performance issues. This is especially important in high performance computing contexts where even minor performance tweaks can translate into large savings in terms of computational resource use. To aid performance analysis, developers may collect an execution trace —a chronological log of program activity during execution. As traces represent the full history, developers can discover a wide array of possibly previously unknown performance issues, making them an important artifact for exploratory performance analysis. However, interactive trace visualization is difficult due to issues of data size and complexity of meaning. Traces represent nanosecond-level events across many parallel processes, meaning the collected data is often large and difficult to explore. The rise of asynchronous task parallel programming paradigms complicates the relation between events and their probable cause. Here, to address these challenges, we conduct a continuing design study in collaboration with high performance computing researchers. We develop diverse and hierarchical ways to navigate and represent execution trace data in support of their trace analysis tasks. Through an iterative design process, we developed Traveler , an integrated visualization platform for task parallel traces. Traveler provides multiple linked interfaces to help navigate trace data from multiple contexts. We evaluate the utility of Traveler through feedback from users and a case study, finding that integrating multiple modes of navigation in our design supported performance analysis tasks and led to the discovery of previously unknown behavior in a distributed array library.

97 MATHEMATICS AND COMPUTING↗

ASC ATDM Level 2 Milestone #5325: Asynchronous Many-Task Runtime System Analysis and Assessment for Next Generation Platforms

This report provides in-depth information and analysis to help create a technical road map for developing next-generation programming models and runtime systems that support Advanced Simulation and Computing (ASC) work- load requirements. The focus herein is on asynchronous many-task (AMT) model and runtime systems, which are of great interest in the context of "Oriascale7 computing, as they hold the promise to address key issues associated with future extreme-scale computer architectures. This report includes a thorough qualitative and quantitative examination of three best-of-class AIM] runtime systems – Charm-++, Legion, and Uintah, all of which are in use as part of the Centers. The studies focus on each of the runtimes' programmability , performance , and mutability . Through the experiments and analysis presented, several overarching Predictive Science Academic Alliance Program II (PSAAP-II) Asc findings emerge. From a performance perspective, AIV runtimes show tremendous potential for addressing extreme- scale challenges. Empirical studies show an AM runtime can mitigate performance heterogeneity inherent to the machine itself and that Message Passing Interface (MP1) and AM11runtimes perform comparably under balanced conditions. From a programmability and mutability perspective however, none of the runtimes in this study are currently ready for use in developing production-ready Sandia ASC applications. The report concludes by recommending a co- design path forward, wherein application, programming model, and runtime system developers work together to define requirements and solutions. Such a requirements-driven co-design approach benefits the community as a whole, with widespread community engagement mitigating risk for both application developers developers. and high-performance computing runtime systein

97 MATHEMATICS AND COMPUTING↗

Topological data analysis of task-based fMRI data from experiments on schizophrenia

We use methods from computational algebraic topology to study functional brain networks, in which nodes represent brain regions and weighted edges represent similarity of fMRI time series from each region. With these tools, which allow one to characterize topological invariants such as loops in high-dimensional data, we are able to gain understanding into low-dimensional structures in networks in a way that complements traditional approaches based on pairwise interactions. In the present paper, we analyze networks constructed from task-based fMRI data from schizophrenia patients, healthy controls, and healthy siblings of schizophrenia patients using persistent homology, which allows us to explore the persistence of topological structures such as loops at different scales in the networks. We use persistence landscapes, persistence images, and Betti curves to create output summaries from our persistent-homology calculations, and we study the persistence landscapes and images using k-means clustering and community detection. Based on our analysis of persistence landscapes, we find that the members of the sibling cohort have topological features (specifically, their 1-dimensional loops) that are distinct from the other two cohorts. From the persistence images, we are able to distinguish all three subject groups and to determine the brain regions in the loops (with four or more edges) that allow us to make these distinctions.

60 APPLIED LIFE SCIENCES↗

Scheduling Multiple Agents in a Persistent Monitoring Task Using Reachability Analysis

We consider the problem of controlling the dynamic state of each of a finite collection of targets distributed in physical space using a much smaller collection of mobile agents. Each agent can attend to no more than one target at a given time, thus agents must move between targets to control the collective state, implying that the states of each of the individual targets are only controlled intermittently. We assume that the state dynamics of each of the targets are given by a linear, time-invariant, controllable system, and develop conditions on the visiting schedules of the agents to ensure that the property of controllability is maintained in the face of the intermittent control. We then introduce constraints on the magnitude of the control input and a bounded disturbance into the target dynamics and develop a method to evaluate system performance under this scenario. Finally, we use this method to determine how the amount of time the agents spend at a given target, before switching to the next in its sequence, influences the control of the states of the entire collection of targets.

42 ENGINEERING↗

Xylo-Oligosaccharide Process Development, Composition, and Techno-Economic Analysis. Cooperative Research and Development Final Report, CRADA Number CRD-12-483

The purpose of this cooperative work agreement between General Mills Inc. (GMI) and NREL is to determine the feasibility of producing a valuable food ingredient (xylo-oligosaccharides or XOS), a highly soluble fiber material, from agricultural waste streams, at an advantaged cost level relative to similar existing ingredients. The scope of the project includes pilot-scale process development (Task 1), compositional analysis (Task 2), and techno-economic analysis (Task 3).

09 BIOMASS FUELS↗

WHOLESCALE - Water & Hole Observations Leverage Effective Stress Calculations And Lessen Expenses (Final Technical Report 2020 - 2024)

The WHOLESCALE acronym stands for Water & Hole Observations Leverage Effective Stress Calculations and Lessen Expenses. The goal of the WHOLESCALE project is to simulate the spatial distribution and temporal evolution of stress in the geothermal system at San Emidio in Nevada, United States. To reach this goal, the WHOLESCALE team has developed a methodology to incorporate and interpret data from four methods of measurement into a multi-physics model that couples thermal, hydrological, and mechanical (T H-M) processes. The WHOLESCALE team has applied this methodology at the San Emidio geothermal field, located ~100 km north of Reno, Nevada in the northwestern Basin and Range province. The WHOLESCALE team includes 30 individuals working at two universities, two national laboratories, and one industry partner. Two master-degree students and five post-doctoral researchers have gained professional experience and earned partial financial support via the WHOLESCALE project. The WHOLESCALE team has taken advantage of the perturbations created by changes in pumping operations during planned shutdowns in 2016, 2021, and 2022 to infer temporal changes in the state of stress in the geothermal system at San Emidio, Nevada, U.S. The WHOLESCALE results support the working hypothesis that increasing pore-fluid pressure reduces the effective normal stress acting across fault zones. During normal operations, pumping in deep production wells decreases fluid pressures and thus increases the effective normal stresses on faults, reducing microseismicity. During planned shutdowns, the cessation of production increases pore-fluid pressure and reduces effective normal stress. The WHOLESCALE products generated during the 4-year period between 2020 and 2024 include: three articles published in the open-access, peer-reviewed scientific literature, two master’s theses, 20 presentations or papers at scientific conferences, and 17 data sets available on public repositories. The WHOLESCALE project has been completed in two phases that included three performance periods separated by two Go/No-go Stage Gate Reviews. Tasks were classified by data type (i.e., Geologic Structure, Borehole, Geodesy, Hydrology, Seismology, and Modeling). The first phase of the project started July 31, 2020 and included ongoing project coordination (Task 1), a project kickoff (Task 2), analysis of existing data (Task 3), development of the initial stress model & deployment design (Task 4), and Go/No-go Decision Point #1 (Task 5). Phase II began with implementing the 2022 deployment (Task 6), followed by Go/No-go Decision Point #2 (Task 7) The remainder of Phase II consisted of analyzing data collected during deployment (Task 8), calibration of the stress model on all observations (Task 9), and the Final Review (August 23, 2024) & Reporting (Task 10).

15 GEOTHERMAL ENERGY↗

In situ and in-transit analysis of cosmological simulations

Abstract Modern cosmological simulations have reached the trillion-element scale, rendering data storage and subsequent analysis formidable tasks. To address this circumstance, we present a new MPI-parallel approach for analysis of simulation data while the simulation runs, as an alternative to the traditional workflow consisting of periodically saving large data sets to disk for subsequent ‘offline’ analysis. We demonstrate this approach in the compressible gasdynamics/ N -body code Nyx, a hybrid $\mbox{MPI}+\mbox{OpenMP}$ MPI + OpenMP code based on the BoxLib framework, used for large-scale cosmological simulations. We have enabled on-the-fly workflows in two different ways: one is a straightforward approach consisting of all MPI processes periodically halting the main simulation and analyzing each component of data that they own (‘ in situ ’). The other consists of partitioning processes into disjoint MPI groups, with one performing the simulation and periodically sending data to the other ‘sidecar’ group, which post-processes it while the simulation continues (‘in-transit’). The two groups execute their tasks asynchronously, stopping only to synchronize when a new set of simulation data needs to be analyzed. For both the in situ and in-transit approaches, we experiment with two different analysis suites with distinct performance behavior: one which finds dark matter halos in the simulation using merge trees to calculate the mass contained within iso-density contours, and another which calculates probability distribution functions and power spectra of various fields in the simulation. Both are common analysis tasks for cosmology, and both result in summary statistics significantly smaller than the original data set. We study the behavior of each type of analysis in each workflow in order to determine the optimal configuration for the different data analysis algorithms.

79 ASTRONOMY AND ASTROPHYSICS↗