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At least 1,693 records · Page 94

Integrating the PanDA Workload Management System with the Vera C. Rubin Observatory

The Vera C. Rubin Observatory will produce an unprecedented astronomical data set for studies of the deep and dynamic universe. Its Legacy Survey of Space and Time (LSST) will image the entire southern sky every three to four days and produce tens of petabytes of raw image data and associated calibration data over the course of the experiment’s run. More than 20 terabytes of data must be stored every night, and annual campaigns to reprocess the entire dataset since the beginning of the survey will be conducted over ten years. The Production and Distributed Analysis (PanDA) system was evaluated by the Rubin Observatory Data Management team and selected to serve the Observatory’s needs due to its demonstrated scalability and flexibility over the years, for its Directed Acyclic Graph (DAG) support, its support for multi-site processing, and its highly scalable complex workflows via the intelligent Data Delivery Service (iDDS). PanDA is also being evaluated for prompt processing where data must be processed within 60 seconds after image capture. This paper will briefly describe the Rubin Data Management system and its Data Facilities (DFs). Finally, it will describe in depth the work performed in order to integrate the PanDA system with the Rubin Observatory to be able to run the Rubin Science Pipelines using PanDA.

79 ASTRONOMY AND ASTROPHYSICS↗

Understanding our Changing Planet: NASA's Earth Science Enterprise

NASA has been studying the Earth and its changing environment by observing the atmosphere, oceans, land, ice, and snow and their influence on climate and weather since the agency's creation. This study has lead to a new approach to understanding the interaction of the Earth's systems, Earth System Science. The Earth Science Enterprise, NASA's comprehensive program for Earth System Science, uses satellites and other tools to intensively study the Earth. The Earth Science Enterprise has three main components: (1) a series of Earth-observing satellites, (2) an advanced data system and (3) teams of scientist who study the data. Key areas of study include: (1) clouds, (2) water and energy cycles, (3) oceans, (4) chemistry of the atmosphere, (5) land surface, water and ecosystems processes; (6) glaciers and polar ice sheets, and (7) the solid earth.

Forehand, Lon↗

The comet rendezvous asteroid flyby mission

The Comet Rendezvous Asteroid Flyby (CRAF) mission was approved for a New Start by the United States Congress in 1989. CRAF will be developed in parallel with the Cassini (Saturn orbiter/Titan probe) mission. The two missions have been combined into a joint program because of the substantial cost savings (approximately $500 M, or greater than 25 percent) which can be realized by using a common spacecraft design, several identical science instruments, a single management team, and a joint ground operations and data handling system for the two missions. CRAF and Cassini will be the first users of the new Mariner Mark 2 spacecraft which has been designed to carry out the next generation of planetary missions to the outer planets and to small bodies. CRAF is a joint mission between the United States, Germany, and Italy. Each partner will provide both engineering hardware and science experiments. Cassini is a joint mission between the United States, Germany, Italy, and the European Space Agency (ESA), with ESA providing the Titan atmospheric entry probe, called Huygens.

Weissman, Paul↗

Learning from learning machines: improving the predictive power of energy-water-land nexus models with insights from complex measured and simulated data

Focal Area(s): Insights gleaned from complex data (observed and simulated) using AI; Predictive modeling through the use of AI techniques and AI-derived model components, including physics- and knowledge-informed models; Energy-water-land nexus and integrated energy systems – models of MultiSector dynamics. Science Challenge: Scientific communities are in need of tools for the computational integration of physics-based models, experimental data, and empirical/observational studies across a broad range of temporal and spatial scales to explore and meet EESSD grand challenges. We require AI algorithms for the discovery of process-drivers in the Earth-energy-human system and to link them with complex measured and simulated data. We aim to understand the energy-water-land nexus, particularly under extreme forcing scenarios and rare events, leveraging scale-aware AI process models, including probabilistic uncertainties, and benefiting from the emerging 5G-enabled landscape-scale sensing and edge computing capabilities. These models are needed to identify instabilities and tipping points that manifest extreme system behaviors with consequences for integrated energy systems and the environment. This work requires fundamental advances in uncertainty quantification, in particular, to identify and model unlikely but catastrophic outliers. Specifically, we need models that are interpretable to domain scientists and, essentially, explainable to public and private stake holders.

54 ENVIRONMENTAL SCIENCES↗

Atmospheric Composition Data and Information Services Center (ACDISC)

NASA's GSFC Earth Sciences (GES) Data and Information and Data Services Center (DISC) manages the archive, distribution and data access for atmospheric composition data from AURA'S OMI, MLS, and hopefully one day, HIRDLS instruments, as well as heritage datasets from TOMS, UARS, MODIS, and AIRS. This data is currently archived in the GES Distributed Active Archive Center (DAAC). The GES DISC has begun the development of a community driven data management system that's sole purpose is to manage and provide value added services to NASA's Atmospheric Composition (AC) Data. This system, called the Atmospheric Composition Data and Information Services Center (ACDISC) will provide access all AC datasets from the above mentioned instruments, as well as AC datasets residing at remote archive sites (e.g, LaRC DAAC) The goals of the ACDISC are to: 1) Provide a data center for Atmospheric Scientists, guided by Atmospheric Scientists; 2) Be absolutely responsive to the data and data service needs of the Atmospheric Composition (AC) community; 3) Provide services (i.e., expertise) that will facilitate the effortless access to and usage of AC data; 4) Collaborate with AC scientists to facilitate the use of data from multiple sensors for long term atmospheric research. The ACDISC is an AC specific, user driven, multi-sensor, on-line, easy access archive and distribution system employing data analysis and visualization, data mining, and other user requested techniques that facilitate science data usage. The purpose of this presentation is to provide the evolution path that the GES DISC in order to better serve AC data, and also to receive continued community feedback and further foster collaboration with AC data users and providers.

Kempler, S.↗

Scientific User Behavior and Data-Sharing Trends in a Petascale File System

The Oak Ridge Leadership Computing Facility (OLCF) runs the No. 4 supercomputer in the world, supported by a petascale file system, to facilitate scientific discovery. In this paper, using the daily file system metadata snapshots collected over 500 days, we have studied the behavioral trends of 1, 362 active users and 380 projects across 35 science domains. In particular, we have analyzed both individual and collective behavior of users and projects, highlighting needs from individual communities and the overall requirements to operate the file system. We have analyzed the metadata across three dimensions, namely (i) the projects' file generation and usage trends, using quantitative file system-centric metrics, (ii) scientific user behavior on the file system, and (iii) the data sharing trends of users and projects. To the best of our knowledge, our work is the first of its kind to provide comprehensive insights on user behavior from multiple science domains through metadata analysis of a large-scale shared file system. We envision that this OLCF case study will provide valuable insights for the design, operation, and management of storage systems at scale, and also encourage other HPC centers to undertake similar such efforts.

Lim, Seung-Hwan↗

Basic Research Needs for Inverse Methods for Complex Systems under Uncertainty

Inverse problems, which aim to infer unknown properties of a system using experimental and observational data, are central to addressing many of the U.S. Department of Energy’s (DOE) most critical scientific and engineering challenges. Accurate, computationally efficient, and data-efficient solutions to inverse problems are essential for advancing DOE mission-critical science drivers, including analyzing data from large-scale experimental facilities, optimizing fusion reactor performance, accelerating materials discovery, enhancing geophysical imaging, improving wildfire predictions, and enabling autonomous systems and digital twins. However, these problems are becoming increasingly complex, often involving nonlinear, highdimensional, and interconnected systems and models that span multiple physics and scales, while relying on data with varying quantity, quality, and information content. Compounding these challenges is the uncertainty inherent in DOE-relevant systems, where errors in inputs, noise in data, incompleteness of data, and discrepancies between models and reality constrain the accuracy and precision of solutions. At the same time, the convergence of recent scientific computing trends—scientific machine learning, artificial intelligence, and computing advances such as exascale computing—is creating unprecedented opportunities for tackling these challenges. The cross-cutting nature of inverse problems, combined with their growing complexity and rapidly evolving data and algorithmic demands, strongly motivates the formulation of a prioritized research agenda to maximize their capabilities and impact. In response to this need, DOE’s Advanced Scientific Computing Research (ASCR) program in the Office of Science convened the Workshop on Basic Research Needs for Inverse Problems for Complex Systems Under Uncertainty in June 2025. This workshop brought together experts across disciplines to identify grand challenges and major opportunities in the field. Through collaborative discussions, the workshop defined transformative research directions aimed at addressing the mathematical, statistical, and computational challenges posed by inverse problems under uncertainty. As a result of these efforts, four priority research directions (PRDs) were identified to guide future research and development in this area. These PRDs, summarized below, represent a roadmap for advancing the foundational science and mathematics of inverse problems, enabling robust, scalable, and uncertainty-aware solutions that are critical for DOE applications.

97 MATHEMATICS AND COMPUTING↗

Summary report of mission acceleration measurements for STS-60, SPACEHAB2, launched 11 February 1994

The STS-60 mission, which launched on 11 February 1994, carried seven accelerometer systems. This report describes the configuration of each of these systems, where they were located on the Orbiter and the name of a contact person for each system. The Space Acceleration Measurement System (SAMS) was one of the accelerometer systems on-board and this mission marked its eighth successful flight. Acceleration data are provided here for SAMS which flew under an agreement between the NASA Microgravity Science and Applications division and the NASA office of Advanced Concepts and Technology. Acceleration data for the other accelerometer systems are not presented here. SAMS was located in the commercial SPACEHAB laboratory, on its second flight. The SAMS system was configured with three triaxial sensor heads with filter cut-offs of 5, 10, and 50 Hz. The acceleration environment related to an experiment centrifuge, an experiment refrigerator freezer unit, a SAMS sensor head rotation, an Orbiter shudder, and payload deploy activities are discussed. In the Appendices, all of the data from SAMS Head B (10 Hz) are plotted to provide an overview of the environment during the majority of the STS-60 mission. An evaluation form is included at the end of the report to solicit users' comments about the usefulness of this series of reports.

Rogers, Melissa J. B.↗

Science Search and Retrieval Using XML

Science missions and instruments continue to produce volumes of useful data and scientists depend on the data systems and tools that archive this data as a means to access and analyze it.

Domain Distributed Framework↗

Agile Science Operations: A New Approach for Primitive Exploration Bodies

Primitive body exploration missions such as potential Comet Surface Sample Return or Trojan Tour and Rendezvous would challenge traditional operations practices. Earth-based observations would provide only basic understanding before arrival and many science goals would be defined during the initial rendezvous. It could be necessary to revise trajectories and observation plans to quickly characterize the target for safe, effective observations. Detection of outgassing activity and monitoring of comet surface activity are even more time constrained, with events occurring faster than round-trip light time. "Agile science operations" address these challenges with contingency plans that recognize the intrinsic uncertainty in the operating environment and science objectives. Planning for multiple alternatives can significantly improve the time required to repair and validate spacecraft command sequences. When appropriate, time-critical decisions can be automated and shifted to the spacecraft for immediate access to instrument data. Mirrored planning systems on both sides of the light-time gap permit transfer of authority back and forth as needed. We survey relevant science objectives, identifying time bottlenecks and the techniques that could be used to speed missions' reaction to new science data. Finally, we discuss the results of a trade study simulating agile observations during flyby and comet rendezvous scenarios. These experiments quantify instrument coverage of key surface features as a function of planning turnaround time. Careful application of agile operations techniques can play a significant role in realizing the Decadal Survey plan for primitive body exploration

Agile science↗

Evaluating lossy data compression on climate simulation data within a large ensemble

High-resolution Earth system model simulations generate enormous data volumes, and retaining the data from these simulations often strains institutional storage resources. Further, these exceedingly large storage requirements negatively impact science objectives, for example, by forcing reductions in data output frequency, simulation length, or ensemble size. To lessen data volumes from the Community Earth System Model (CESM), we advocate the use of lossy data compression techniques. While lossy data compression does not exactly preserve the original data (as lossless compression does), lossy techniques have an advantage in terms of smaller storage requirements. To preserve the integrity of the scientific simulation data, the effects of lossy data compression on the original data should, at a minimum, not be statistically distinguishable from the natural variability of the climate system, and previous preliminary work with data from CESM has shown this goal to be attainable. However, to ultimately convince climate scientists that it is acceptable to use lossy data compression, we provide climate scientists with access to publicly available climate data that have undergone lossy data compression. In particular, we report on the results of a lossy data compression experiment with output from the CESM Large Ensemble (CESM-LE) Community Project, in which we challenge climate scientists to examine features of the data relevant to their interests, and attempt to identify which of the ensemble members have been compressed and reconstructed. We find that while detecting distinguishing features is certainly possible, the compression effects noticeable in these features are often unimportant or disappear in post-processing analyses. In addition, we perform several analyses that directly compare the original data to the reconstructed data to investigate the preservation, or lack thereof, of specific features critical to climate science. Overall, we conclude that applying lossy data compression to climate simulation data is both advantageous in terms of data reduction and generally acceptable in terms of effects on scientific results.

54 ENVIRONMENTAL SCIENCES↗

Complex Systems Research at LANL [Slides]

Mathematics, computer science, and technologies required to extract information, knowledge, and insight from data. Thrust leverages advances in theory, algorithms, and the exponential growth of high–performance computing to accelerate the integrative and predictive capability of the scientific method. Thrust focuses on the integration of LANL capabilities for understanding, prediction, and design of complex, natural and engineered systems.

97 MATHEMATICS AND COMPUTING↗

Enabling Space Biological Knowledge Discovery Through Image and Video Data Sharing

Increased biomedical risks associated with deep space crewed missions (cis-Lunar, Mars transit/surface) require development of health countermeasures, novel ecosystem support, risk modeling, and fundamental space biological knowledge discovery. Molecular-omics, physiological-phenotypic-behavioral, and environmental-radiation telemetry data from space biological and health studies are needed for reuse by scientists to address these tasks. The data as well as space-relevant biospecimens are being made more findable, accessible, interoperable, and reusable through NASA’s Open Science Data Repository (OSDR). This new OSDR umbrella grouping includes NASA GeneLab, the NASA Ames Life Sciences Data Archive (ALSDA), and the NASA Biological Institutional Scientific Collection. The OSDR system design appropriately handles metadata and processed-tabular results from ALSDA studies collected from space experiments. But raw and processed ALSDA bioimage and video datasets require an expansion of OSDR’s data architecture to handle ingestion, curation, and egress. The academic-industry bioimaging field saw a scientific renaissance in the past several years through leveraging open-source software, international collaborations, machine learning, and other open science/programming approaches. As crewed missions and more biological experiments are on the deep space horizon, OSDR is embracing data stewardship through listening to feedback from subject matter experts and designing an expanded architecture which is appropriate for NASA’s goals to enable analysis and reuse of bioimaging and video data for the public science community.Discovery Through Image and Video Data Sharing

space biology↗

Facing page test for the astronaut science advisor presentation

The goal of the Astronaut Science Advisor (ASA) project is to improve the scientific return of experiments performed in space by providing astronaut experimenters with an 'intelligent assistant' that encapsulates much of the domain- and experiment-related knowledge commanded by the Principal Investigator (PI) on the ground. By using expert systems technology and the availability of flight-qualified personal computers, it is possible to encode the requisite knowledge and make it available to astronauts as they perform experiments in space. The system performs four major functions: diagnosis and troubleshooting of experiment apparatus, data collection, protocol management, and detection of interesting data. The experiment used for development of the system measures human adaptation to weightlessness in the context of the neurovestibular system. This so-called 'Rotating Dome' experiment was flown on the recent Spacelab Life Sciences One (SLS-1) Mission. This mission was used as an opportunity to test some of the system's functionality. Experiment data was downlinked from the orbiter, and the system then captured the data and analyzed it in real time. The system kept track of the time being used by the experiment, recognized occurrences of interesting data, summarized data statistically and generated potential new protocols that could be used to optimize the course of the experiment.

Compton, Michael M.↗

Re-Organizing Earth Observation Data Storage to Support Temporal Analysis of Big Data

The Earth Observing System Data and Information System archives many datasets that are critical to understanding long-term variations in Earth science properties. Thus, some of these are large, multi-decadal datasets. Yet the challenge in long time series analysis comes less from the sheer volume than the data organization, which is typically one (or a small number of) time steps per file. The overhead of opening and inventorying complex, API-driven data formats such as Hierarchical Data Format introduces a small latency at each time step, which nonetheless adds up for datasets with O(10^6) single-timestep files. Several approaches to reorganizing the data can mitigate this overhead by an order of magnitude: pre-aggregating data along the time axis (time-chunking); storing the data in a highly distributed file system; or storing data in distributed columnar databases. Storing a second copy of the data incurs extra costs, so some selection criteria must be employed, which would be driven by expected or actual usage by the end user community, balanced against the extra cost.

data storage↗

Optical system of the visual imaging subsystem on the Viking Orbiter spacecraft

The development of the optical system for the Viking Orbiter spacecraft is presented. Each spacecraft consisted of an orbiter and a lander, and the orbiter provided support during the lander descent, landing and operation on the Martian surface, and prior to separation the orbiter provided science data for site selection and certification. To support these objectives each orbiter carried twin camera systems with identical 475 mm f/3.5 telescopes. The development of the Visual Imaging Subsystem which used all spherical catadioptric cassegrains with all elements fabricated from pure fused silica and Mangin primary mirrors is described. Computer aided design optimization and the ray aberration analysis of the final design are presented. The Viking telescopes had high theoretical and measured performance and obtained many high quality images of the Martian surface.

Larks, L.↗

An open experimental database for exploring inorganic materials

The use of advanced machine learning algorithms in experimental materials science is limited by the lack of sufficiently large and diverse datasets amenable to data mining. If publicly open, such data resources would also enable materials research by scientists without access to expensive experimental equipment. Here, we report on our progress towards a publicly open High Throughput Experimental Materials (HTEM) Database (htem.nrel.gov). This database currently contains 140,000 sample entries, characterized by structural (100,000), synthetic (80,000), chemical (70,000), and optoelectronic (50,000) properties of inorganic thin film materials, grouped in >4,000 sample entries across >100 materials systems; more than a half of these data are publicly available. This article shows how the HTEM database may enable scientists to explore materials by browsing web-based user interface and an application programming interface. This paper also describes a HTE approach to generating materials data, and discusses the laboratory information management system (LIMS), that underpin HTEM database. Finally, this manuscript illustrates how advanced machine learning algorithms can be adopted to materials science problems using this open data resource.

36 MATERIALS SCIENCE↗