Nuclear Fission Data: from Fundamental Science to Applications
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Distributed, data-intensive computational science applications of interest to DOE scientific com- munities move large amounts of data for experiment data management, distributed analysis steps, remote visualization, and accessing scientific instruments. These applications need to orchestrate ensembles of resources from multiple resource pools and interconnect them with high-capacity multi- layered networks across multiple domains. It is highly desirable that mechanisms are designed that provide this type of resource provisioning capability to a broad class of applications. It is also important to have coherent monitoring capabilities for such complex distributed environments. In this project, we addressed these problems by designing an abstract API, enabled by novel semantic resource descriptions, for provisioning complex and heterogeneous resources from multiple providers using their native provisioning mechanisms and control planes: computational, storage, and multi-layered high-speed network domains. We used an extensible resource representation based on semantic web technologies to afford maximum flexibility to applications in specifying their needs. We evaluated the effectiveness of provisioning using representative data-intensive ap- plications. We also developed mechanisms for providing feedback about resource performance to the application, to enable closed-loop feedback control and dynamic adjustments to resource allo- cations (elasticity). This was enabled through development of a novel persistent query framework that consumes disparate sources of monitoring data, including perfSONAR, and provides scalable distribution of asynchronous notifications.
The Carbon Storage Technical Viability Approach (CS TVA) StoryMap provides an in-depth overview of the products created during the CS TVA research effort. In detail, the StoryMap addresses the CS TVA Matrix, Database Version 2.0, Database Catalog, Workflow, and Data Availability Result Database, discussing how each was developed and implemented. Information on how the matrix, database, and database catalog are interconnected, and their usage is also explained. The workflow section provides information on the CS TVA product development from the data-gathering stage to the final data availability results. A section on an expansion of the CS TVA workflow that utilizes Natural Language processing (NLP) section was included. Finally, the Data Availability Results Database is discussed. These results provide data science-informed insights into potential data gaps when assessing the viability of carbon storage in a given area or region.
The Large Hadron Collider (LHC), operating at the international CERN Laboratory in Geneva, Switzerland, is leading Big Data driven scientific explorations. ATLAS, one of the largest collaborations ever assembled in the the history of science, is at the forefront of research at the LHC. To address an unprecedented multi-petabyte data processing challenge, the ATLAS experiment is relying on a heterogeneous distributed computational infrastructure. To manage the workflow for all data processing on hundreds of data centers the PanDA (Production and Distributed Analysis)Workload Management System is used. An ambitious program to expand PanDA to all available computing resources, including opportunistic use of commercial and academic clouds and Leadership Computing Facilities (LCF), is realizing within BigPanDA and megaPanDA projects. These projects are now exploring how PanDA might be used for managing computing jobs that run on supercomputers including OLCF’s Titan and NRC-KI HPC2. The main idea is to reuse, as much as possible, existing components of the PanDA system that are already deployed on the LHC Grid for analysis of physics data. The next generation of PanDA will allow many data-intensive sciences employing a variety of computing platforms to benefit from ATLAS experience and proven tools in highly scalable processing.
Science is increasingly motivated by the need to process larger quantities of data. It is facing severe challenges in data collection, management, and processing, so much so that the computational demands of "data scaling" are competing with, and in many fields surpassing, the traditional objective of decreasing processing time. Example domains with large datasets include astronomy, biology, genomic, climate and weather, and material sciences. This paper presents a real-world use case in which we wish to answer queries provided by domain scientists in order to facilitate discovery of relevant science resources. The problem is that the metadata for these science resources is very large and is growing quickly, rapidly increasing the need for a data scaling solution. We propose the use of our SGEM stack -- a system designed for answering graph-based queries over large datasets on cluster architectures -- for answering complex queries over the metadata, and we report early results for our current capability.
Accurate, reliable nuclear data is essential for the success of Federal missions such as nonproliferation, nuclear forensics, homeland security, national defense, space exploration, clean energy generation, and scientific research. Data access is also key to innovative commercial developments such as new medicines, automated industrial controls, energy exploration, energy security, nuclear reactor design, and isotope production. The United States Nuclear Data Program (USNDP) is the domestic custodian of nuclear data. In its April 2022 meeting, the DOE/NSF Nuclear Science Advisory Committee was charged with preparing two reports on nuclear data. In this first report, we review recent accomplishments of the USNDP and discuss complementary and collaborative international efforts. Detailed descriptions of nuclear data needs for basic science, nonproliferation, national security, nuclear energy together with medical and space applications are also presented. Lastly, a set of specific cross-cutting nuclear data needs with relevance for multiple applications areas are also identified for further discussion in a follow-on report planned for release at the end of January 2023.
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Abstract We present the launch of the Hyper Suprime-Cam Legacy Archive (HSCLA), a public archive of processed, science-ready data from the Hyper Suprime-Cam (HSC). HSC is an optical wide-field imager installed at the prime focus of the Subaru Telescope and has been in operation since 2014. While ∼1/3 of the total observing time of HSC has been used for the Subaru Strategic Program (SSP), the remainder of the time is used for Principal Investigator (PI)-based programs. We have processed the data from these PI-based programs and make the processed, high-quality data available to the community through HSCLA. The current version of HSCLA includes data taken in the first year of science operation, 2014. We provide both individual and coadd images as well as photometric catalogs. The photometric catalog from the coadd is loaded to the database, which offers a fast access to the large catalog. There are other online tools such as an image browser and an image cutout tool and they will be useful for science analyses. The coadd images reach 24–27th magnitudes at 5σ for point sources and cover approximately 580 square degrees in at least one filter with 150 million objects in total. We perform extensive quality assurance tests and verify that the photometric and astrometric quality of the data is good enough for most scientific explorations. However, the data are not without problems and users are referred to the list of known issues before exploiting the data for science. All the data and documentations can be found at the data release site, 〈https://hscla.mtk.nao.ac.jp/〉.
Structured Scientific Data Management - the management of storage, access, usage, lifecycle, content and meaning for scientific data - is not as commonly employed in computational science as it is in other fields of scientific endeavor. However, where it has been co-developed and integrated with the computational science research it has had a transformational influence on the scientific work. These infrastructures enabled not only new research previously impossible, but also helped to speed up the research process and improved the quality of the research output. Good data management systems are capable of facilitating effective scientific collaborations on a group, institutional, national or international level, through the easy sharing of resources and results. Today as computational science is becoming more data rich and collaborative, integrated scientific data management is becoming an essential tool for every computational science research and production environment. This chapter will describe the fundamental principles and components of a good data management system, provide real world examples of successful implementations and provides an outlook on future developments. We conclude with a short section on how to get started for those whose interest has been peaked by this chapter
The Energy Sciences Network (ESnet) is the high-performance network user facility for the US Department of Energy (DOE) Office of Science (SC) and delivers highly reliable data transport capabilities optimized for the requirements of data-intensive science. In essence, ESnet is the circulatory system that enables the DOE science mission by connecting all its laboratories and facilities in the US and abroad. ESnet is funded and stewarded by the Advanced Scientific Computing Research (ASCR) program and managed and operated by the Scientific Networking Division at Lawrence Berkeley National Laboratory (LBNL). ESnet is widely regarded as a global leader in the research and education networking community. ESnet interconnects DOE national laboratories, user facilities, and major experiments so that scientists can use remote instruments and computing resources as well as share data with collaborators, transfer large datasets, and access distributed data repositories. ESnet is specifically built to provide a range of network services tailored to meet the unique requirements of the DOE’s data-intensive science. In July 2023, the Energy Sciences Network (ESnet) and the High Energy Physics program (HEP) of the DOE SC organized an interim ESnet requirements review of HEP-supported activities, to follow up on the work started during the 2020 HEP Network Requirements Review. Preparation for these events included checking back with the key stakeholders: program and facility management, research groups, and technology providers. Each stakeholder group was asked to prepare updates to their previously submitted case study documents, so that ESnet could update the understanding of any changes to the current, near-term, and long-term status, expectations, and processes that will support the science activities of the program.
Data driven science is becoming increasingly more common, complex, and is placing tremendous stresses on visualization and analysis frameworks. Data sources producing 10GB per second (and more) are becoming increasingly commonplace in both simulation, sensor and experimental sciences. These data sources, which are often distributed around the world, must be analyzed by teams of scientists that are also distributed. Enabling scientists to view, query and interact with such large volumes of data in near-real-time requires a rich fusion of visualization and analysis techniques, middleware and workflow systems. Here, this paper discusses initial research into visualization and analysis of distributed data workflows that enables scientists to make near-real-time decisions of large volumes of time varying data.
This data package contains watershed modeling inputs and outputs as well as deep neural networks training and testing results used in "Estimating Watershed Subsurface Permeability From Stream Discharge Data using Deep Neural Networks" (Cromwell et al., 2021). We train various deep neural network models with different architectures to predict subsurface permeability from stream discharge hydrograph at the watershed outlet. The training data are obtained from ensemble simulations of hydrographs corresponding to an permeability ensemble using a fully-distributed, integrated surface-subsurface hydrologic model. The trained model is then applied to estimate the permeability of the real watershed using its observed hydrograph at the outlet. Our study demonstrates that the permeabilities of the soil and geologic facies that make significant contributions to the outlet discharge can be more accurately estimated from the discharge data. Their estimations are also more robust with observation errors. Compared to the traditional ensemble smoother method, DNNs show stronger performance in capturing the nonlinear relationship between permeability and stream hydrograph to accurately estimate permeability. Our study sheds new light on the value of the emerging deep learning methods in assisting integrated watershed modeling by improving parameter estimation, which will eventually reduce the uncertainty in predictive watershed models. For detailed information regarding watershed model description and DNNs setup, please refer to Cromwell et al., 2021. The deep_learning.zip file contains the inputs and outputs for the different deep neural networks. The watershed_model.zip file contains the inputs and outputs for watershed simulation using ATS. The figures.zip file contains raw figures and their corresponding scripts. For a more detailed description, please see the README.md file within each compressed file.
With increasingly strict data management requirements from funding agencies and institutions, expanding focus on the challenges of research replicability, and growing data sizes and heterogeneity, new data needs are emerging in the materials community. The materials data facility (MDF) operates two cloudhosted services, data publication and data discovery, with features to promote open data sharing, self-service data publication and curation, and encourage data reuse, layered with powerful data discovery tools. The data publication service simplifies the process of copying data to a secure storage location, assigning data a citable persistent identifier, and recording custom (e.g., material, technique, or instrument specific)and automatically-extractedmetadata in a registrywhile the data discovery service will provide advanced search capabilities (e.g., faceting, free text range querying, and full text search) against the registered data and metadata. TheMDF services empower individual researchers, research projects, and institutions to (I) publish research datasets, regardless of size, from local storage, institutional data stores, or cloud storage, without involvement of thirdparty publishers; (II) build, share, and enforce extensible domain-specific custom metadata schemas; (III) interact with published data and metadata via representational state transfer (REST) application program interfaces (APIs) to facilitate automation, analysis, and feedback; and (IV) access a data discovery model that allows researchers to search, interrogate, and eventually build on existing published data. We describe MDF’s design, current status, and future plans.
Scientific research data provides unique challenges that are distinct from classic “Big Data” sources. One common element in research data is that the experiment, observations, or simulation were designed, and data were specifically acquired, to shed light on an open scientific question. The data and methods are usually “owned” by the researcher(s) and the data itself might not be viewed to have long-term scientific significance after the results have been published. Often, the data volume was relatively low, with data sometimes easier to reproduce than to catalog and store. Some data and meta-data were not collected in a digital form, or were stored on antiquated or obsolete media. Generally speaking, policies, tools, and management of digital research data have reflected an ad hoc approach that varies domain by domain and research group by research group. This model, which treats research data as disposable, is proving to be a serious limitation as the volume and complexity of research data explodes. Changes are required at every level of scientific research: within the individual groups, and across scientific domains and interdisciplinary collaborations. Enabling researchers to learn about available tools, processes, and procedures should encourage a spirit of cooperation and collaboration, allowing researchers to come together for the common good. In conclusion, these community-oriented efforts provide the potential for targeted projects with high impact.
The scale and speed of data generated by modern scientific experiments have constantly challenged the research community to store, curate, manage and optimally use it to drive scientific discoveries. In this work, we have developed a data archive and portal (DAP) platform including analytics capabilities to collect, curate, and manage data and metadata stream for solid phase processing (SPP) techniques. We successfully hosted around ~347K files of data related to processing parameters, microscopic images, and spectroscopic data related to solid phase processing. The DAP platform for SPP will establish an enduring capability to support machine learning and grow collaboration at the intersection of materials science and data science.