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At least 19 records

Enhanced Preparation for Intelligent Cybermanufacturing Systems (EPICS)

Opportunities exist for realizing transformative advances in productivity and reductions in energy footprint through ubiquitous sensing in manufacturing environments. Enhanced Preparation for Intelligent Cybermanufacturing Systems (EPICS) is a 21-month (4 academic semesters, plus one summer) experience for graduate students that focuses on scaling the knowledge, understanding and leadership skills in the cyber manufacturing area. Masters students (8/year, 32 total) complete 2-year projects on industrially-driven project topics, rotating to internships in summer semester to work on scoping and implementation at project partners. Students complete academic training in embedded systems, process modeling, data science, and cloud-based systems design. Their projects are targeted toward sensor retrofit, process monitoring, root cause analysis, and sensor fusion.

Advanced Manufacturing

Coassembly and binning of a twenty-year metagenomic time-series from Lake Mendota

Abstract The North Temperate Lakes Long-Term Ecological Research (NTL-LTER) program has been extensively used to improve understanding of how aquatic ecosystems respond to environmental stressors, climate fluctuations, and human activities. Here, we report on the metagenomes of samples collected between 2000 and 2019 from Lake Mendota, a freshwater eutrophic lake within the NTL-LTER site. We utilized the distributed metagenome assembler MetaHipMer to coassemble over 10 terabases (Tbp) of data from 471 individual Illumina-sequenced metagenomes. A total of 95,523,664 contigs were assembled and binned to generate 1,894 non-redundant metagenome-assembled genomes (MAGs) with ≥50% completeness and ≤10% contamination. Phylogenomic analysis revealed that the MAGs were nearly exclusively bacterial, dominated by Pseudomonadota (Proteobacteria, N = 623) and Bacteroidota (N = 321). Nine eukaryotic MAGs were identified by eukCC with six assigned to the phylum Chlorophyta. Additionally, 6,350 high-quality viral sequences were identified by geNomad with the majority classified in the phylum Uroviricota. This expansive coassembled metagenomic dataset provides an unprecedented foundation to advance understanding of microbial communities in freshwater ecosystems and explore temporal ecosystem dynamics.

59 BASIC BIOLOGICAL SCIENCES

Machine learning-driven predictive resource management in complex science workflows

Here, the collaborative efforts of large communities in science experiments, often comprising thousands of global members, reflect a monumental commitment to exploration and discovery. Recently, advanced and complex data processing has gained increasing importance in science experiments. Data processing workflows typically consist of multiple intricate steps, and the precise specification of resource requirements is crucial for each step to allocate optimal resources for effective processing. Estimating resource requirements in advance is challenging due to a wide range of analysis scenarios, varying skill levels among community members, and the continuously increasing spectrum of computing options. One practical approach to mitigate these challenges involves initially processing a subset of each step to measure precise resource utilization from actual processing profiles before completing the entire step. While this two-staged approach enables processing on optimal resources for most of the workflow, it has drawbacks such as initial inaccuracies leading to potential failures and suboptimal resource usage, along with overhead from waiting for initial processing completion, which is critical for fast-turnaround analyses. In this context, our study introduces a novel pipeline of machine learning models within a comprehensive workflow management system, the Production and Distributed Analysis (PanDA) system. These models employ advanced machine learning techniques to predict key resource requirements, overcoming challenges posed by limited upfront knowledge of characteristics at each step. Accurate forecasts of resource requirements enable informed and proactive decision-making in workflow management, enhancing the efficiency of handling diverse, complex workflows across heterogeneous resources.

97 MATHEMATICS AND COMPUTING

ExaFEL: extreme-scale real-time data processing for X-ray free electron laser science

ExaFEL is an HPC-capable X-ray Free Electron Laser (XFEL) data analysis software suite for both Serial Femtosecond Crystallography (SFX) and Single Particle Imaging (SPI) developed in collaboration with the Linac Coherent Lightsource (LCLS), Lawrence Berkeley National Laboratory (LBNL) and Los Alamos National Laboratory. ExaFEL supports real-time data analysis via a cross-facility workflow spanning LCLS and HPC centers such as NERSC and OLCF. Our work therefore constitutes initial path-finding for the US Department of Energy's (DOE) Integrated Research Infrastructure (IRI) program. We present the ExaFEL team's 7 years of experience in developing real-time XFEL data analysis software for the DOE's exascale supercomputers. We present our experiences and lessons learned with the Perlmutter and Frontier supercomputers. Furthermore we outline essential data center services (and the implications for institutional policy) required for real-time data analysis. Finally we summarize our software and performance engineering approaches and our experiences with NERSC's Perlmutter and OLCF's Frontier systems. This work is intended to be a practical blueprint for similar efforts in integrating exascale compute resources into other cross-facility workflows.

59 BASIC BIOLOGICAL SCIENCES

The LCLStream Ecosystem for Multi-Institutional Dataset Exploration

We describe a new end-to-end experimental data streaming framework designed from the ground up to support new types of applications – AI training, extremely high-rate X-ray time-of-flight analysis, crystal structure determination with distributed processing, and custom data science applications and visualizers yet to be created. Throughout, we use design choices merging cloud microservices with traditional HPC batch execution models for security and flexibility. This project makes a unique contribution to the DOE Integrated Research Infrastructure (IRI) landscape. By creating a flexible, API-driven data request service, we address a significant need for high-speed data streaming sources for the X-ray science data analysis community. With the combination of data request API, mutual authentication web security framework, job queue system, high-rate data buffer, and complementary nature to facility infrastructure, the LCLStreamer framework has prototyped and implemented several new paradigms critical for future generation experiments.

Rogers, David [ORNL] (ORCID:0000000251871768)

High-Throughput Data Processing at FRIB Using ESnet

Real-time or nearly real-time (nearline) data processing methods are critical tools as detector technologies and data acquisition (DAQ) systems allow for higher data rates and volumes. The introduction of the energy sciences network (ESnet), a U.S. Department of Energy (DOE) supported high-speed network for scientific research, creates opportunities to leverage the computing power of DOE facilities like the National Energy Research Scientific Computing Center (NERSC). As a first step toward realizing a DOE Office of Science Integrated Research Infrastructure (IRI) pattern, an automated workflow was developed to remotely process data obtained from a nuclear physics experiment at the Facility for Rare Isotope Beams (FRIB) at NERSC with data transferred between FRIB and NERSC over ESnet. The workflow demonstrated the ability to process one week’s worth of experimental data in approximately 90 min and was used successfully for nearline analysis during a recently completed FRIB experiment. Here, a summary of the workflow development and results of recent demonstrations will be presented.

Data processing

Preparation of the Multi-Site Data Processing at the Vera C. Rubin Observatory

The Vera C. Rubin Observatory’s Legacy Survey of Space and Time (LSST) Camera is scheduled to start taking data in the summer of 2025. The Data Release Production will run the LSST Science Pipe software at data facilities in the US, France and the UK. The LSST Science Pipeline consists of complex directed acyclic graphs (DAGs) of tasks. Rubin will use the Production and Distributed Analysis (PanDA) workflow and workload management system to orchestrate this complex workflow and the distribution of workloads to the data facilities. When run end-to-end by a team of data production staff, this processing (the Science Pipelines, distributed by the workflow and workload management system) is referred to as a 'campaign'. This paper describes the central services and data facility specific services that support this multi-site data process model, including the service deployment infrastructure, the workload and workflow system, the Campaign Management tools, and connection to Rubin Data Management. This paper will also mention the experience of processing the Rubin Commissioning Camera data. All these are part of the effort to scale up the processing capabilities for the expected very large data volume from the LSST Camera.

Yang, Wei [SLAC]

Where are the Data? Automating a Workflow for Carbon Storage Data Gap Analyses

This presentation demonstrates a spatial analysis workflow to assess data availability for the many components of geologic carbon storage technical viability. The workflow relies upon a knowledge-data framework that links the different components of GCS technical viability to the data types needed for evaluation. Using this contextual information, a combination of data science methods (e.g., natural language processing) and spatial analyses are applied to identify areas where sufficient data exists for a given component. The results are aggregated into maps illustrating data density and spatial gaps across all technical viability factors and data categories, as well as the individual component and category level for a more nuanced understanding. Presented at the Geological Society of America Connects 2024 Annual Meeting in Anaheim, California, 22-25 September 2024.

Creason, Christopher

Machine Learning to Select Experiments Driven by Fundamental Science and Applications for Targeted Nuclear Data Improvement

This work describes a blueprint for a process that accelerates progress in science by quantitatively answering the following question: What is the optimal combination of fundamental-science and application-driven experiments to maximally reduce pertinent data uncertainties? Answering this question entails solving a high-dimensional and complex optimization problem that is best solved with advanced statistic techniques often classified as machine learning. We apply this process within the framework of nuclear data with the aim to select an experiment combination that will reduce uncertainties in 239 Pu nuclear data for neutron energies between 1 and 600 keV. In this field, fundamental-physics driven data, called differential, look at one nuclear physics observable at a time. They are contrasted to application-driven, integral, data where one or few resulting values inform a broad set of nuclear data across several nuclides and energies. The candidates for integral experiments are criticality measurements that were refined by a genetic algorithm to be maximally sensitive to 239 Pu fission cross sections in the desired energy range. Twenty-three candidate differential experiments were investigated and span multiple nuclear physics observables (e.g., total, capture cross sections) for isotopes appearing in the integral experiments. The optimal combination among these candidate experiments was investigated via generalized least squares fitting, augmented with Gaussian processes to ameliorate statistical irregularities in data, and the D-optimality criterion. The latter evaluates for each pair of candidates the joint reduction in uncertainties of all 12200 nuclear data appearing in the integral experiments compared to the knowledge we have from 168 past experiments, theory, and nuclear data. We chose as differential measurements those that investigate 63 Cu and 239 Pu total cross sections, based on D-optimality rank and feasibility constraints. Two integral (criticality) experiments were selected: An experiment with Al 2 ⁢O 3 and graphite interleaved with Pu and a thick Cu reflector explores 1–30 keV, while we target the 30–600 keV range with an experiment that swaps boron in place of graphite with a different geometry.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS

On the anatomy of acoustic emission

Abrupt, local frictional fault failure comprises a displacement that is normally accompanied by acoustic emission (AE)—an impulsive elastic wave broadcast with an amplitude proportional to particle velocity. The aggregate of these displacements is the basic fault motion. In laboratory shear experiments, the examination of a sequence of laboratory earthquakes includes continuous measurements of fault motion and the associated AE that is broadcast. From these measurements, connections between the fault motion and cumulative sum of the AE amplitude can be identified. The composition of the AE broadcasts reveals inhomogeneity in the fault mechanical structure from which they arise. This inhomogeneity can be decomposed into a time invariant AE component and an articulated AE component. The articulated AE component serves as a “state of the fault diagnostic” that follows a distinctive pattern to fault failure. Thus, the articulated AE component can be used directly to monitor the state of the fault.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC

Aligning NASA Earth Science Data Stewardship with FAIR Principles: Outcomes, Recommendations, and Future Directions

The FAIR Principles—Findable, Accessible, Interoperable, and Reusable—offer a widely accepted framework for improving the sharing and reuse of digital scientific data by both human and machine users. Following these principles is critical for effective scientific data stewardship, broader scientific collaboration, and compliance with federal and agency data policies. This paper, based on the work of NASA’s Open, Free, and FAIR Working Group (O’FAIR WG) under the Earth Science Data Systems Program, presents an overview of how FAIR is being applied within NASA’s Earth science data landscape. It highlights ongoing progress and challenges, identifies FAIR-enabling resources, and offers recommendations and strategic actions to enhance the FAIRness of NASA-funded open and free Earth science data products. The FAIR-enabling resources identified underscore the vital role of NASA's existing enterprise processes, standards, tools, and infrastructures in supporting FAIR implementation. Our findings show strong performance in making NASA Earth science data more findable and accessible. However, further work is needed—especially in enhancing interoperability, so that different systems and tools can better understand and exchange data. This is especially important for enabling machine-driven discovery and analysis. We emphasize the importance of a balanced strategy that combines a centralized, top-down approach—focused on building enterprise-level capabilities and processes—with a decentralized, bottom-up approach driven by discipline-specific needs and community practices. We advocate for coordinated efforts to enhance (meta)data interoperability to facilitate seamless data and information sharing and exchange of Earth science data both within NASA and across other agencies managing Earth science data.

Data Product

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

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

316L stainless steel

CMIP7 Data Request: atmosphere priorities and opportunities

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

58 GEOSCIENCES

Euclid I. Overview of the Euclid mission

The current standard model of cosmology successfully describes a variety of measurements, but the nature of its main ingredients, dark matter and dark energy, remains unknown. Euclid is a medium-class mission in the Cosmic Vision 2015–2025 programme of the European Space Agency (ESA) that will provide high-resolution optical imaging, as well as near-infrared imaging and spectroscopy, over about 14 000 deg 2 of extragalactic sky. In addition to accurate weak lensing and clustering measurements that probe structure formation over half of the age of the Universe, its primary probes for cosmology, these exquisite data will enable a wide range of science. This paper provides a high-level overview of the mission, summarising the survey characteristics, the various data-processing steps, and data products. We also highlight the main science objectives and expected performance.

cosmology

Atmospheric Radiation Measurement (ARM) airborne field campaign data products between 2013 and 2018

Airborne measurements are pivotal for providing detailed, spatiotemporally resolved information about atmospheric parameters and aerosol and cloud properties, thereby enhancing our understanding of dynamic atmospheric processes. For 30 years, the US Department of Energy (DOE) Office of Science supported an instrumented Gulfstream 1 (G-1) aircraft for atmospheric field campaigns. Data from the final decade of G-1 operations were archived by the Atmospheric Radiation Measurement (ARM) Data Center and made publicly available at no cost to all registered users. To ensure a consistent data format and to improve the accessibility of the ARM airborne data, an integrated dataset was recently developed covering the final 6 years of G-1 operations (2013 to 2018, https://doi.org/10.5439/1999133; Mei and Gaustad, 2024). The integrated dataset includes data collected from 236 flights (766.4 h), which covered the Arctic, the US Southern Great Plains (SGP), the US West Coast, the eastern North Atlantic (ENA), the Amazon Basin in Brazil, and the Sierras de Córdoba range in Argentina. These comprehensive data streams provide much-needed insight into spatiotemporal variability in the thermodynamic quantities and aerosol and cloud properties for addressing essential science questions in Earth system process studies. This paper describes the DOE ARM merged G-1 datasets, including information on the acquisition, data collection challenges and future potentials, and quality control processes. It further illustrates the usage of this merged dataset to evaluate the Energy Exascale Earth System Model (E3SM) with the Earth System Model Aerosol–Cloud Diagnostics (ESMAC Diags) package.

54 ENVIRONMENTAL SCIENCES

PSTN-019: The LSST Science Pipelines Software: Optical Survey Pipeline Reduction and Analysis Environment

The NSF-DOE Vera C. Rubin Observatory is executing the Legacy Survey of Space and Time (LSST) as its prime mission, producing a series of data releases over the ten-year survey. The LSST Science Pipelines Software will be used to create these data releases and to perform the nightly prompt processing and alert production. This paper provides an overview of the LSST Science Pipelines Software, describing the components and their integration into pipelines that generate science-ready data products.

79 ASTRONOMY AND ASTROPHYSICS

Performance and Reliability Assessment of the U.S. Department of Energy Atmospheric Radiation Measurement (ARM) Data Advisor (ADA)

The Atmospheric Radiation Measurement (ARM) User Facility provides one of the world's largest openly accessible repositories of atmospheric observations through the ARM Data Discovery platform. Although the repository contains more than three decades of measurements collected from permanent observatories, mobile facilities, aircraft campaigns, and field experiments, identifying appropriate datasets can be challenging, particularly for new users unfamiliar with ARM instrumentation and datastream organization. To improve data accessibility, the ARM Data Center developed the ARM Data Advisor (ADA), an artificial intelligence-powered assistant designed to facilitate scientific data discovery, dataset interpretation, and user guidance. This report evaluates ADA's performance as a domain-specific scientific assistant using realistic atmospheric science workflows. The evaluation examines five key capabilities: data retrieval and curation efficiency, hallucination resistance, scientific reasoning, response to ambiguous queries, and content retention and session continuity. Representative prompts were developed to simulate typical interactions between researchers and the ARM Data Discovery platform, and ADA's responses were assessed for retrieval completeness, scientific accuracy, consistency, and practical usefulness. In these representative tests, ADA reduced the complexity of discovering and accessing ARM datasets by recommending appropriate datastreams, explaining instrumentation, interpreting metadata, and assisting with data processing workflows. ADA also exhibits strong domain knowledge of atmospheric science terminology and generally resists hallucination by acknowledging unavailable datasets and requesting clarification when appropriate. Overall, the results indicate that ADA represents a promising advancement in scientific data discovery within the ARM User Facility and has considerable potential to improve researcher productivity, particularly for new users and interdisciplinary scientists seeking efficient access to ARM observations.

Salvador, Christian [ORNL] (ORCID:0000000283287777

Global Corn Heat Stress: Mean and SD of Degree Days Above 29°C based on NEX-GDDP-CMIP6 Climate Projections

Description This global dataset provides the estimated mean and standard deviation (SD) of corn heat stress (degree days above 29°C) for a set of climate models in NEX-GDDP-CMIP6 at 0.25-degree resolution. The NEX-GDDP-CMIP6 dataset is comprised of global downscaled climate scenarios derived from the General Circulation Model (GCM) runs conducted under the Coupled Model Intercomparison Project Phase 6 (CMIP6). The current dataset includes: Long-Term Average Degree Days Above 29°C- Historical Long-Term Average Degree Days Above 29°C- SSP245 Long-Term Standard Deviation of Degree Days Above 29°C- Historical Long-Term Standard Deviation of Degree Days Above 29°C- SSP245 The mean and SD are calculated over 1985-2014 for the historical period and over 2035-2064 for future projections. A full description of methods, including growing season, daily temperature distribution, and statistical coefficients, can be found in Haqiqi (2024). The source climate data are obtained from https://ds.nccs.nasa.gov/thredds2/catalog/catalog.html and are described in Thrasher et al (2022). The codes used to create this dataset are available at https://github.com/ihaqiqi/dd29c_nex_cmip6. Acknowledgments This work was supported by the US Department of Energy, Office of Science, Biological and Environmental Research Program, Earth and Environmental Systems Modeling, MultiSector Dynamics under Cooperative Agreement DE-SC0022141. The data processing, computation, and storage were completed on Purdue Anvil supercomputer and cyberinfrastructure supported by the National Science Foundation HDR award # 2118329: "NSF Institute for Geospatial Understanding through an Integrative Discovery Environment (I-GUIDE)". References Haqiqi. I. (2024). Trade can buffer climate-induced risks and volatilities in crop supply. Environmental Research: Food Systems. https://doi.org/10.1088/2976-601X/ad7d12 Thrasher, B., Wang, W., Michaelis, A., Melton, F., Lee, T., & Nemani, R. (2022). NASA global daily downscaled projections, CMIP6. Scientific Data, 9(1), 262. https://doi.org/10.1038/s41597-022-01393-4

Climate Change