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At least 757 records · Page 42

mzPeak: Designing a Scalable, Interoperable, and Future-Ready Mass Spectrometry Data Format

Advances in mass spectrometry (MS) instrumentation, such as higher resolution, faster scan speeds, and improved sensitivity, have significantly increased the volume and complexity of data. The growing adoption of imaging and ion mobility further amplifies these challenges across MS-based omics fields, including proteomics, metabolomics, and lipidomics. While these technologies unlock new possibilities, they also present significant challenges in data management, storage, and accessibility. Existing open formats, such as the XML-based community standards mzML and imzML, struggle to meet the demands of modern MS workflows due to their large file sizes, slow data access, and limited metadata support. Vendor-specific formats, while optimized for proprietary instruments, lack interoperability, comprehensive metadata support and long-term archival reliability. This white paper lays the groundwork for mzPeak, a next-generation community data format designed to address these challenges and support high-throughput, multi-dimensional MS workflows. By adopting a hybrid model that combines efficient binary storage for numerical data and both human and machine-readable metadata storage, mzPeak will reduce file sizes, accelerate data access, and offer a scalable, adaptable solution for evolving MS technologies. For researchers, mzPeak will enable enhanced interoperability across platforms, seamless support for complex workflows including ion mobility and MS imaging, and faster data access compared to existing community formats such as mzML. Its design will ensure data is managed in compliance with regulatory standards, essential for applications such as precision medicine and chemical safety, where long-term data integrity and accessibility are critical. For vendors, mzPeak provides a streamlined, open alternative to proprietary formats, reducing the burden of regulatory compliance while aligning with the industry's push for transparency and standardization. By offering a high-performance, interoperable solution, mzPeak positions vendors to meet customer demands for sustainable data management tools which will be able to handle emerging and future data types and workflows. mzPeak aspires to become the cornerstone of MS data management, empowering researchers, vendors, and developers to innovate and collaborate more effectively.

data formats↗

sciCAN: single-cell chromatin accessibility and gene expression data integration via cycle-consistent adversarial network

The boom in single-cell technologies has brought a surge of high dimensional data that come from different sources and represent cellular systems from different views. With advances in these single-cell technologies, integrating single-cell data across modalities arises as a new computational challenge. Here, we present an adversarial approach, sciCAN, to integrate single-cell chromatin accessibility and gene expression data in an unsupervised manner. We benchmarked sciCAN with 5 existing methods in 5 scATAC-seq/scRNA-seq datasets, and we demonstrated that our method dealt with data integration with consistent performance across datasets and better balance of mutual transferring between modalities than the other 5 existing methods. We further applied sciCAN to 10X Multiome data and confirmed that the integrated representation preserves biological relationships within the hematopoietic hierarchy. Finally, we investigated CRISPR-perturbed single-cell K562 ATAC-seq and RNA-seq data to identify cells with related responses to different perturbations in these different modalities.

59 BASIC BIOLOGICAL SCIENCES↗

Approach to Managing MeaSURES Data at the GSFC Earth Science Data and Information Services Center (GES DISC)

A major need stated by the NASA Earth science research strategy is to develop long-term, consistent, and calibrated data and products that are valid across multiple missions and satellite sensors. (NASA Solicitation for Making Earth System data records for Use in Research Environments (MEaSUREs) 2006-2010) Selected projects create long term records of a given parameter, called Earth Science Data Records (ESDRs), based on mature algorithms that bring together continuous multi-sensor data. ESDRs, associated algorithms, vetted by the appropriate community, are archived at a NASA affiliated data center for archive, stewardship, and distribution. See http://measures-projects.gsfc.nasa.gov/ for more details. This presentation describes the NASA GSFC Earth Science Data and Information Services Center (GES DISC) approach to managing the MEaSUREs ESDR datasets assigned to GES DISC. (Energy/water cycle related and atmospheric composition ESDRs) GES DISC will utilize its experience to integrate existing and proven reusable data management components to accommodate the new ESDRs. Components include a data archive system (S4PA), a data discovery and access system (Mirador), and various web services for data access. In addition, if determined to be useful to the user community, the Giovanni data exploration tool will be made available to ESDRs. The GES DISC data integration methodology to be used for the MEaSUREs datasets is presented. The goals of this presentation are to share an approach to ESDR integration, and initiate discussions amongst the data centers, data managers and data providers for the purpose of gaining efficiencies in data management for MEaSUREs projects.

Vollmer, Bruce↗

Accessing and Visualizing scientific spatiotemporal data

This paper discusses work done by JPL 's Parallel Applications Technologies Group in helping scientists access and visualize very large data sets through the use of multiple computing resources, such as parallel supercomputers, clusters, and grids These tools do one or more of the following tasks visualize local data sets for local users, visualize local data sets for remote users, and access and visualize remote data sets The tools are used for various types of data, including remotely sensed image data, digital elevation models, astronomical surveys, etc The paper attempts to pull some common elements out of these tools that may be useful for others who have to work with similarly large data sets.

data sets↗

Efficient Access to MERRA-2 Reanalysis Data from the Cloud Archives

The Modern-Era Retrospective analysis for Research and Applications, Version (MERRA-2) dataset is now available in the AWS West Region-2 cloud. The free data downloading policy remains unchanged. The NASA Goddard Earth Sciences Data and Information Services Center (GES DISC) offers cloud services such as OPeNDP subsetting, and time series services. This presentation will showcase use cases that testing the procedures and find the most efficiency workflows to access and process the data for finding climate extremes. The use cases include a) accessing and processing data directly in the cloud S3 bucket without downloading it, and b) downloading subset data to process on the user’s local system.

data access, cloud computing, climate extremes↗

Global Change Data Center: Mission, Organization, Major Activities, and 2001 Highlights

Rapid efficient access to Earth sciences data is fundamental to the Nation's efforts to understand the effects of global environmental changes and their implications for public policy. It becomes a bigger challenge in the future when data volumes increase further and missions with constellations of satellites start to appear. Demands on data storage, data access, network throughput, processing power, and database and information management are increased by orders of magnitude, while budgets remain constant and even shrink. The Global Change Data Center's (GCDC) mission is to provide systems, data products, and information management services to maximize the availability and utility of NASA's Earth science data. The specific objectives are (1) support Earth science missions be developing and operating systems to generate, archive, and distribute data products and information; (2) develop innovative information systems for processing, archiving, accessing, visualizing, and communicating Earth science data; and (3) develop value-added products and services to promote broader utilization of NASA Earth Sciences Enterprise (ESE) data and information. The ultimate product of GCDC activities is access to data and information to support research, education, and public policy.

Wharton, Stephen W.↗

Joint Modeling of Access Mode and Parking Choice of Air Travelers Using Revealed Preference Data

Airport ground access mode choice is distinct from everyday mode choice decisions, necessitating context-specific choice model estimation. Understanding airport ground access mode choice decisions is not only important for developing infrastructure planning strategies, but also for assessing the impacts of emerging modes on airport revenues, particularly from parking. However, parking choice is an often-overlooked dimension in airport ground access choice modeling. This paper addresses this gap through the development of a joint model of airport access mode and parking option choice using a passenger survey conducted at Dallas-Fort Worth (DFW) International Airport in 2015. Compared with a traditional conditional logit model that does not consider parking options available at DFW airport, the joint model of mode and parking decisions was found to generate more realistic values of travel time and was shown to have better predictive performance, both of which are critical for obtaining better airport parking revenue estimates and identifying traveler cohorts who may respond more strongly to potential policies targeting curb congestion and parking demand.

33 ADVANCED PROPULSION SYSTEMS↗

Planning/scheduling techniques for VQ-based image compression

The enormous size of the data holding and the complexity of the information system resulting from the EOS system pose several challenges to computer scientists, one of which is data archival and dissemination. More than ninety percent of the data holdings of NASA is in the form of images which will be accessed by users across the computer networks. Accessing the image data in its full resolution creates data traffic problems. Image browsing using a lossy compression reduces this data traffic, as well as storage by factor of 30-40. Of the several image compression techniques, VQ is most appropriate for this application since the decompression of the VQ compressed images is a table lookup process which makes minimal additional demands on the user's computational resources. Lossy compression of image data needs expert level knowledge in general and is not straightforward to use. This is especially true in the case of VQ. It involves the selection of appropriate codebooks for a given data set and vector dimensions for each compression ratio, etc. A planning and scheduling system is described for using the VQ compression technique in the data access and ingest of raw satellite data.

Short, Nicholas M., Jr.↗

Tropical Rainfall Measuring Mission (TRMM) Precipitation Data and Services for Research and Applications

Precipitation is a critical component of the Earth's hydrological cycle. Launched on 27 November 1997, TRMM is a joint U.S.-Japan satellite mission to provide the first detailed and comprehensive data set of the four-dimensional distribution of rainfall and latent heating over vastly under-sampled tropical and subtropical oceans and continents (40 S - 40 N). Over the past 14 years, TRMM has been a major data source for meteorological, hydrological and other research and application activities around the world. The purpose of this short article is to inform that the NASA Goddard Earth Sciences Data and Information Services Center (GES DISC) provides TRMM archive and near-real-time precipitation data sets and services for research and applications. TRMM data consist of orbital data from TRMM instruments at the sensor s resolution, gridded data at a range of spatial and temporal resolutions, subsets, ground-based instrument data, and ancillary data. Data analysis, display, and delivery are facilitated by the following services: (1) Mirador (data search and access); (2) TOVAS (TRMM Online Visualization and Analysis System); (3) OPeNDAP (Open-source Project for a Network Data Access Protocol); (4) GrADS Data Server (GDS); and (5) Open Geospatial Consortium (OGC) Web Map Service (WMS) for the GIS community. Precipitation data application services are available to support a wide variety of applications around the world. Future plans include enhanced and new services to address data related issues from the user community. Meanwhile, the GES DISC is preparing for the Global Precipitation Measurement (GPM) mission which is scheduled for launch in 2014.

Liu, Zhong↗

Global Change Data Center: Mission, Organization, Major Activities, and 2003 Highlights

Rapid, efficient access to Earth sciences data from satellites and ground validation stations is fundamental to the nation's efforts to understand the effects of global environmental changes and their implications for public policy. It becomes a bigger challenge in the future when data volumes increase from current levels to terabytes per day. Demands on data storage, data access, network throughput, processing power, and database and information management are increased by orders of magnitude, while budgets remain constant and even shrink.The Global Change Data Center's (GCDC) mission is to develop and operate data systems, generate science products, and provide archival and distribution services for Earth science data in support of the U.S. Global Change Program and NASA's Earth Sciences Enterprise. The ultimate product of the GCDC activities is access to data to support research, education, and public policy.

FROM↗

A bi-level data-driven framework for fault-detection and diagnosis of HVAC systems

Long-term operation of heating, ventilation, and air conditioning (HVAC) systems will eventually lead to a range of HVAC system failures, resulting in excessive energy consumption and maintenance costs. Here, to avoid HVAC malfunctioning, fault detection diagnostic (FDD) is utilized as a common practice. Machine learning methods have lately received considerable interest for FDD analysis of HVAC systems due to their high detection accuracy. Meanwhile, HVAC malfunctions are regarded as rare occurrences, hence normal operating data samples are much more accessible than data samples in faulty and malfunctioning conditions. The dominating frequency of normal operation in HVAC datasets has also led to heavily biased classification algorithms within the literature. Moreover, the focus of previous literature has been on increasing the accuracy of the models which leads to a high number of false positives (misleading alarms) in the system. In order to enhance the performance of diagnostic procedures and fill the mentioned gaps, this study proposes a novel data-driven framework. A bi-level machine learning framework is developed for diagnosing faults in air handling units (AHUs) and rooftop units (RTUs) based on principal component analysis (PCA), time series anomaly detection, and random forest (RF). It is shown that PCA can reduce the dataset dimension with one principal component accounting for 95% of data variance. Also, the random forest could classify the faults with 89% precision for single-zone AHU, 85% precision for RTU, and 79% for multi-zone AHU. By proposing this framework, three persistent challenges are addressed: (I) minimizing false positives; (II) accounting for data imbalance; and (III) normal condition monitoring of equipment.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Electricity Baseline 2022 Background Data and Log File

The ElectricityLCI v2 Python package (https://github.com/USEPA/ElectricityLCI/tree/v2.0) was used to generate the 2022 electricity baseline: a regionalized life cycle inventory model of U.S. electricity generation, consumption, and distribution using standardized facility and generation data. ElectricityLCI implements a local data store for downloading and accessing public data on an individual's computer. The data store follows the folder definition provided by USEPA's esupy Python package (https://github.com/USEPA/esupy), which utilized the appdirs Python dependency (https://pypi.org/project/appdirs/). This submission includes the background data used to generate the 2022 electricity baseline inventory. Each zip archive stores the source files as found in their data stores. Sub-folders in each of the data stores are archived separately. For example, stewi.zip contains the JSON files, while stewi.facility.zip is the 'facility' sub-folder of stewi data store that stores the parquet files. To reproduce the data store, extract each zip file and drag-and-drop sub-folders in to their appropriate root folders to recreate the data stores, then copy the root folders to your data store folder (as returned by running the following on the command line: `python -c "import appdirs; print(appdirs.user_data_dir())"`). The main five data stores include: 'electricitylci', 'facilitymatcher', 'fedelemflowlist', 'stewi', and 'stewicombo'. The log file generated by the 2022 model run is also included, which contains the statements at the DEBUG level and above.

Electricity; LCA; data inventory↗

Electricity Baseline 2021 Background Data and Log File

The ElectricityLCI v2 Python package (https://github.com/USEPA/ElectricityLCI/tree/v2.0) was used to generate the 2021 electricity baseline: a regionalized life cycle inventory model of U.S. electricity generation, consumption, and distribution using standardized facility and generation data. ElectricityLCI implements a local data store for downloading and accessing public data on an individual's computer. The data store follows the folder definition provided by USEPA's esupy Python package (https://github.com/USEPA/esupy), which utilizes the appdirs Python dependency (https://pypi.org/project/appdirs/). An overview of the ElectricityLCI data stores may be found on the README (https://github.com/USEPA/ElectricityLCI/blob/v2.0/README.md#data-store). This submission includes the background data used to generate the 2021 electricity baseline inventory. Each zip archive stores the source files as found in their data stores. Sub-folders in each of the data stores are archived separately. For example, stewi.zip contains the JSON files, while stewi.facility.zip is the 'facility' sub-folder of stewi data store that stores the parquet files. To reproduce the data store, extract each zip file and drag-and-drop sub-folders in to their appropriate root folders to recreate the data stores, then copy the root folders to your data store folder (as returned by running the following on the command line: python -c "import appdirs; print(appdirs.user_data_dir())"). The main five data stores include: 'electricitylci', 'facilitymatcher', 'fedelemflowlist', 'stewi', and 'stewicombo'. The log file generated by the 2021 model run is also included, which contains the statements at the DEBUG level and above.

Electricity; LCA; LCI; Life Cycle; data inventory↗

Electricity Baseline 2020 Background Data and Log File

The ElectricityLCI v2 Python package (https://github.com/USEPA/ElectricityLCI/tree/v2.0) was used to generate the 2020 electricity baseline: a regionalized life cycle inventory model of U.S. electricity generation, consumption, and distribution using standardized facility and generation data. ElectricityLCI implements a local data store for downloading and accessing public data on an individual's computer. The data store follows the folder definition provided by USEPA's esupy Python package (https://github.com/USEPA/esupy), which utilizes the appdirs Python dependency (https://pypi.org/project/appdirs/). An overview of the ElectricityLCI data stores may be found on the README (https://github.com/USEPA/ElectricityLCI/blob/v2.0/README.md#data-store). This submission includes the background data used to generate the 2020 electricity baseline inventory. Each zip archive stores the source files as found in their data stores. Sub-folders in each of the data stores are archived separately. For example, stewi.zip contains the JSON files, while stewi.facility.zip is the 'facility' sub-folder of stewi data store that stores the parquet files. To reproduce the data store, extract each zip file and drag-and-drop sub-folders in to their appropriate root folders to recreate the data stores, then copy the root folders to your data store folder (as returned by running the following on the command line: python -c "import appdirs; print(appdirs.user_data_dir())"). The main five data stores include: 'electricitylci', 'facilitymatcher', 'fedelemflowlist', 'stewi', and 'stewicombo'. The log file generated by the 2020 model run is also included, which contains the statements at the DEBUG level and above.

Electricity; LCA; LCI; Life Cycle; data inventory↗

FAIR Framework for Physics-Inspired AI in High Energy Physics (Final Technical Report)

The main deliverable of this proposal was to publish data from high energy physics experiments in a FAIR format so that non-specialists could develop machine learning technologies using our data. The Minnesota team of Profs. Cushman, Furmanski and Rusack, from the high energy experiments CDMS, Micro-Boone and CMS, respectively, and Prof J. Sun from Computer Science worked to organize the data, to provide code to access the data, and where relevant provide documentation describing the data. The FAIR4HEP collaboration was formed with groups from UC San Diego, MIT, and the University of Illinois, with the principal investigator was Dr. Huerta. Collectively we collaborated on the publication of datasets from the LHC experiments. Members of the Minnesota group contributed to the common papers published by the collaboration

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Information/user services, summary

Various aspects of the technology which are available to users now are described. Specific topics discussed include: data distribution: availability of and access to data; technology transfer: system use illustrations and availability of training; hardware systems descriptions: processing hardware constructed and available; data processing techniques: individual processing techniques; and future developments: a sampling of future technology.

Landgrebe, D. A.↗