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At least 199 records · Page 11

NGPINT V3: a containerized orchestration Python software for discovery of next-generation protein–protein interactions

Abstract Summary Batch yeast two-hybrid (Y2H) assays, leveraged with next-generation sequencing, have afforded successful innovations for the analysis of protein–protein interactions. NGPINT is a Conda-based software designed to process the millions of raw sequencing reads resulting from Y2H–next-generation interaction screens. Over time, increasing compatibility and dependency issues have prevented clean NGPINT installation and operation. A system-wide update was essential to continue effective use with its companion software, Y2H-SCORES. We present NGPINT V3, a containerized implementation built with both Singularity and Docker, allowing accessibility across virtually any operating system and computing environment. Availability and implementation This update includes streamlined dependencies and container images hosted on Sylabs (https://cloud.sylabs.io/library/schuyler/ngpint/ngpint) and Dockerhub (https://hub.docker.com/r/schuylerds/ngpint), facilitating easier adoption and integration into high-throughput and cloud-computing workflows. Full instructions and software can be also found in the GitHub repository https://github.com/Wiselab2/NGPINT_V3 and Zenodo https://doi.org/10.5281/zenodo.15256036.

Biochemistry & Molecular Biology↗

Cloud Optimized Data Formats

Cloud computing offers the promise of being able to analyze Big Data earth Observations at scale, by allowing scientists to deploy many nodes at once to analyze the data. However, in order to take full advantage of cloud scalability, it is often necessary to reorganize and reformat the data to enable fine-grained, parallel access to the data in Web Object Storage. NASA recently conducted a study of several formats that are optimized for analysis in the cloud: Parquet, zarr, HDF (Hierarchical Data Format) in the Cloud, and Cloud-Optimized GeoTIFF (Tagged Image File Format). They were compared against non-cloud-optimized formats, netCDF (network Common Data Form) and GeoTIFF, with criteria based both on stewardship and analysis performance.

Christopher Lynnes↗

Advancing Open Source Science Initiatives Through Public-Private Partnerships

Collaboration is fundamental to advancing open science within the science community. With the recent developments in technology and research, the establishment of formal partnerships between the private sector and government agencies are needed to bridge the knowledge gaps and expedite the time to actionable science. NASA’s Interagency Implementation and Advanced Concepts Team (IMPACT) seeks to address this challenge by establishing non-reimbursable Space Act Agreements with industry leaders in cloud computing, artificial intelligence (AI) and machine learning. The purpose of these agreements is to advance open source science initiatives in the areas of data discovery, access and use of high value NASA science data sets on the cloud. As well as, jointly work on common research problems to accelerate the development and adoption of new AI technologies. Current success stories include co-locating NASA datasets from multiple science disciplines on one platform using Amazon Web Services Open Data Registry, developing AI Foundation Models for Science with IBM and co-hosting training workshops and tutorials for the science community aimed at providing hands-on experience with using NASA data and AI models on the cloud. In summary, we will present an overview of our partnerships supporting open source science initiatives, describe current activities and lessons learned that may be useful to others considering similar partnerships with the private sector.

Elizabeth Fancher↗

Approach for energy efficient building design during early phase of design process

Energy consumption in the building sector is about 40% of total energy consumed globally and is trending upwards, along with its contribution to greenhouse gas (GHG) emissions. Given the adverse impacts of GHG emissions, it is crucial to integrate energy efficiency into building designs. The most significant opportunities for enhancing energy performance are present during the initial phases of building design, when there is less impact of other design constraints. Various tools exist for simulating different design options and providing feedback in terms of energy consumption and comfort parameters. These simulation outputs must then be analyzed to derive design solutions. This paper presents an innovative approach that utilizes user input parameters, processes them through cloud computing, and outputs easily understandable strategies for energy-efficient building design. The methodology employs Asynchronous Distributed Task Queues (DTQ) - a more scalable and reliable alternative to conventional speedup techniques-for conducting parametric energy simulations in the cloud. The goal of this approach is to assist design teams in identifying, visualizing, and prioritizing energy-saving design strategies from a range of possible solutions for each project. Furthermore, a tool ‘eDOT’ has been developed utilizing the discussed methodology. Unlike existing tools, eDOT leverages artificial intelligence to dynamically generate and provide design strategies during the early phases of design process. By simplifying the simulation process, eDOT enables design teams to make informed, data-driven decisions without needing to interpret complex simulation outputs. A case study simulated for two locations is provided in this paper to demonstrate the effectiveness of eDOT, further underscoring its practical impact on energy-efficient building design.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Infrared radiation emerging from smoke produced by brush fires

The IR radiative transport properties of brush fire smoke clouds, computed for a model with finite horizontal dimensions as well as the more common plane-parallel model, are presented. The finite model is a three-dimensional version of the two-stream approximation applied to cubic clouds of steam, carbon, and silicates. Assumptions are made with regard to the shape and size distributions of the smoke particles. It is shown that 11.5-micron radiometry can detect fires beneath smoke clouds if the path integrated mass density of the smoke is less than or equal to 3 g/sq m.

Weinman, J. A.↗

NASA Update for Unidata Stratcomm

The NASA representative to the Unidata Strategic Committee presented a semiannual update on NASAs work with and use of Unidata technologies. The talk updated Unidata on the program of cloud computing prototypes underway for the Earth Observing System Data and Information System (EOSDIS). Also discussed was a trade study on the use of the Open source Project for a Network Data Access Protocol (OPeNDAP) with Web Object Storage in the cloud.

data systems↗

Adaptation of the ISCCP cloud detection algorithm to combined AVHRR and SMMR arctic data

The International Satellite Cloud Climatology Project (ISCCP) cloud detection algorithm is applied to artic data, and modifications are suggested. Both Advanced Very High Resolution Radiometer (AVHRR) and Scanning Multichannel Microwave Radiometer (SMMR) data are examined. Synthetic AVHRR and SMMR data are also generated. Modifications suggested include the use of snow and ice data sets for the estimation of surface parameters, additional AVHRR channels, and surface class characteristic values when clear sky values cannot be obtained. Greatest improvement in computed cloud fraction is realized over snow and ice surfaces; over other surfaces all versions perform similarly. Since the use of SMMR for surface analysis increases the computational burden, its use may be justified only over snow and ice-covered regions.

Key, J.↗

Matsu: An Elastic Cloud Connected to a SensorWeb for Disaster Response

This slide presentation reviews the use of cloud computing combined with the SensorWeb in aiding disaster response planning. Included is an overview of the architecture of the SensorWeb, and overviews of the phase 1 of the EO-1 system and the steps to improve it to transform it to an On-demand product cloud as part of the Open Cloud Consortium (OCC). The effectiveness of this system is demonstrated in the SensorWeb for the Namibia flood in 2010, using information blended from MODIS, TRMM, River Gauge data, and the Google Earth version of Namibia the system enabled river surge predictions and could enable planning for future disaster responses.

Mandl, Daniel↗

Characterizing Wildfires in Western US.: A Cloud-based Case Study for Interdisciplinary Research using NASA Resources

This presentation will demonstrate a case study of interdisciplinary research done in the Amazon Web Services (AWS) cloud platform, in addition to in the local machine. We conduct data analysis next to data by leveraging various cloud-based data in NASA Earthdata Cloud, which are distributed by different missions/NASA Distributed Active Archive Centers (DAACs), and cloud computing resources at NASA. For instance, we directly access multiple datasets stored in the AWS Simple Storage Service (S3) buckets using a Python Jupyter notebook through a JupyterHub interface hosted in AWS (without having to download data), and conduct data analysis next to data in the cloud. We will also show how to share the research results following Open Source policy. This case study characterizes the change in wildfire events in the western United States during the past 20 years. In particular, we focus on the wildfires in California in 2021, one of the most severe wildfire years occurring in the most recent 20 years in California. We will analyze the possible causes of wildfires, such as drought conditions and climate variability, and examine the impacts of wildfires on air quality and atmospheric composition, and on land cover. We will examine the data distributed by the NASA Goddard Earth Sciences Data and Information Services Center (GES DISC), including aerosols and meteorological data from the NASA Modern-Era Retrospective analysis for Research and Applications version 2 (MERRA-2), precipitation from the Global Precipitation Measurement (GPM) and Global Precipitation Climate Project (GPCP), and aerosol index from Ozone Monitoring Instrument (OMI). We also utilize the data distributed by the Physical Oceanography (PO) DAAC, such as Sea Surface Temperature (SST) data from the Group for High Resolution Sea Surface Temperature (GHRSST), and the data distributed by Land Processes (LP) DAAC, such as Normalized Difference Vegetation Index (NDVI).

Xiaohua Pan↗

Cloud-Based Numerical Weather Prediction for Near Real-Time Forecasting and Disaster Response

Cloud computing capabilities have rapidly expanded within the private sector, offering new opportunities for meteorological applications. Collaborations between NASA Marshall, NASA Ames, and contractor partners led to evaluations of private (NASA) and public (Amazon) resources for executing short-term NWP systems. Activities helped the Marshall team further understand cloud capabilities, and benchmark use of cloud resources for NWP and other applications

Disasters↗

Cybersecurity Standards, Certification, and Best Practices for DERs

Distributed energy resources (DERs) are becoming increasingly important to the electric grid, including solar energy systems. However, DERs also introduce new cybersecurity risks, including those posed by cloud computing. Standards harmonization is essential for ensuring that DERs are secure and can be safely integrated into the grid. This panel will discuss cyber standards harmonization for solar security. The panel will feature experts from the S2G Program, National Labs and Industry who will discuss the following topics: the cybersecurity risks and future benefits posed by ubiquitous solar energy systems, the development and implementation of cloud-based security solutions for DERs, including solar energy systems, the challenges and opportunities for harmonizing DER cybersecurity standards, and Cyber Informed Engineering and the solar security implementations The panel will also discuss the following specific initiatives: the S2G Program's DER Cybersecurity Framework, UL's DER Cybersecurity Certification Program, and IEEE 1547 Updates. The panel will conclude with a discussion of the future of standards harmonization for DER cybersecurity.

14 SOLAR ENERGY↗

Poplar: a phylogenomics pipeline

Motivation Generating phylogenomic trees from the genomic data is essential in understanding biological systems. Each step of this complex process has received extensive attention and has been significantly streamlined over the years. Given the public availability of data, obtaining genomes for a wide selection of species is straightforward. However, analyzing that data to generate a phylogenomic tree is a multistep process with legitimate scientific and technical challenges, often requiring a significant input from a domain-area scientist. Results We present Poplar, a new, streamlined computational pipeline, to address the computational logistical issues that arise when constructing the phylogenomic trees. It provides a framework that runs state-of-the-art software for essential steps in the phylogenomic pipeline, beginning from a genome with or without an annotation, and resulting in a species tree. Running Poplar requires no external databases. In the execution, it enables parallelism for execution for clusters and cloud computing. The trees generated by Poplar match closely with state-of-the-art published trees. The usage and performance of Poplar is far simpler and quicker than manually running a phylogenomic pipeline. Availability and implementation Freely available on GitHub at https://github.com/sandialabs/poplar. Implemented using Python and supported on Linux.

Koning, Elizabeth [Sandia National Laboratories (S↗

Earth Science Data Processing With Nextflow

Earth science data processing tasks present many challenges. These tasks often process large input datasets and require scores of CPU-hours to generate results. All but the simplest tasks will be decomposed into a series of computational or data manipulation steps, also known as a scientific workflow. In order to reduce the burden of orchestrating and running the dependent processing steps, a workflow execution engine is required. This poster describes the lessons learned by the CLARREO Pathfinder (CPF) team while developing multiple scientific workflows and utilizing the open-source Nextflow engine to execute them in a cloud computing environment. The Nextflow engine is designed with the following stated goals: first, the engine does not dictate how individual steps in the task are implemented (i.e. it is language and interface agnostic); second, the engine supports easy configuration and modularity at the workflow level so that others can easily execute our workflows to reproduce results; lastly, the engine eases development by transparently scaling execution from local to remote environments. Nextflow was developed for the bioinformatics domain but is a good fit for other scientific workflows where the overall task is well-described by a dataflow diagram. The CPF team has developed Nextflow pipelines (i.e. scientific workflows) to simulate CLARREO radiance, generate large look-up tables for inter-calibration algorithms, and generate L4 intercalibration data products. These pipelines consume from single-digits to hundreds of thousands of CPU-hours. In the development and evolution of these pipelines we have discovered many design patterns, pitfalls, and solutions to common problems. Our goal is to demonstrate important aspects of how to design, implement, run, and ultimately share Nextflow pipelines in the domain of Earth science.

Aron D Bartle↗

Software-Defined Network for End-to-end Networked Science at the Exascale

Domain science applications and workflow processes are currently forced to view the network as an opaque infrastructure into which they inject data and hope that it emerges at the destination with an acceptable Quality of Experience. There is little ability for applications to interact with the network to exchange information, negotiate performance parameters, discover expected performance metrics, or receive status/troubleshooting information in real time. The work we presen here is motivated by a vision for a new smart network and smart application ecosystem that will provide a more deterministic and interactive environment for domain science workflows. The Software-Defined Network for End-to-end Networked Science at Exascale (SENSE) system includes a model-based architecture, implementation, and deployment which enables automated end-to-end network service instantiation across administrative domains. An intent based interface allows applications to express their high-level service requirements, an intelligent orchestrator and resource control systems allow for custom tailoring of scalability and real-time responsiveness based on individual application and infrastructure operator requirements. This allows the science applications to manage the network as a first-class schedulable resource as is the current practice for instruments, compute, and storage systems. Deployment and experiments on production networks and testbeds have validated SENSE functions and performance. Emulation based testing verified the scalability needed to support research and education infrastructures. Key contributions of this work include an architecture definition, reference implementation, and deployment. This provides the basis for further innovation of smart network services to accelerate scientific discovery in the era of big data, cloud computing, machine learning and artificial intelligence.

97 MATHEMATICS AND COMPUTING↗

Software-defined network for end-to-end networked science at the exascale

Domain science applications and workflow processes are currently forced to view the network as an opaque infrastructure into which they inject data and hope that it emerges at the destination with an acceptable Quality of Experience. There is little ability for applications to interact with the network to exchange information, negotiate performance parameters, discover expected performance metrics, or receive status/troubleshooting information in real time. The work presented here is motivated by a vision for a new smart network and smart application ecosystem that will provide a more deterministic and interactive environment for domain science workflows. The Software-Defined Network for End-to-end Networked Science at Exascale (SENSE) system includes a model-based architecture, implementation, and deployment which enables automated end- to-end network service instantiation across administrative domains. An intent based interface allows applications to express their high-level service requirements, an intelligent orchestrator and resource control systems allow for custom tailoring of scalability and real-time responsiveness based on individual application and infrastructure operator requirements. This allows the science applications to manage the network as a first-class schedulable resource as is the current practice for instruments, compute, and storage systems. Deployment and experiments on production networks and testbeds have validated SENSE functions and performance. Emulation based testing verified the scalability needed to support research and education infrastructures. Key contributions of this work include an architecture definition, reference implementation, and deployment. This provides the basis for further innovation of smart network services to accelerate scientific discovery in the era of big data, cloud computing, machine learning and artificial intelligence.

47 OTHER INSTRUMENTATION↗

A Cloud-Based Global Flood Disaster Community Cyber-Infrastructure: Development and Demonstration

Flood disasters have significant impacts on the development of communities globally. This study describes a public cloud-based flood cyber-infrastructure (CyberFlood) that collects, organizes, visualizes, and manages several global flood databases for authorities and the public in real-time, providing location-based eventful visualization as well as statistical analysis and graphing capabilities. In order to expand and update the existing flood inventory, a crowdsourcing data collection methodology is employed for the public with smartphones or Internet to report new flood events, which is also intended to engage citizen-scientists so that they may become motivated and educated about the latest developments in satellite remote sensing and hydrologic modeling technologies. Our shared vision is to better serve the global water community with comprehensive flood information, aided by the state-of-the- art cloud computing and crowdsourcing technology. The CyberFlood presents an opportunity to eventually modernize the existing paradigm used to collect, manage, analyze, and visualize water-related disasters.

CyberFlood↗

Further developments in cloud statistics for computer simulations

This study is a part of NASA's continued program to provide global statistics of cloud parameters for computer simulation. The primary emphasis was on the development of the data bank of the global statistical distributions of cloud types and cloud layers and their applications in the simulation of the vertical distributions of in-cloud parameters such as liquid water content. These statistics were compiled from actual surface observations as recorded in Standard WBAN forms. Data for a total of 19 stations were obtained and reduced. These stations were selected to be representative of the 19 primary cloud climatological regions defined in previous studies of cloud statistics. Using the data compiled in this study, a limited study was conducted of the hemogeneity of cloud regions, the latitudinal dependence of cloud-type distributions, the dependence of these statistics on sample size, and other factors in the statistics which are of significance to the problem of simulation. The application of the statistics in cloud simulation was investigated. In particular, the inclusion of the new statistics in an expanded multi-step Monte Carlo simulation scheme is suggested and briefly outlined.

Chang, D. T.↗