No Arabic abstract
We describe a scalable database cluster for the spatial analysis and annotation of high-throughput brain imaging data, initially for 3-d electron microscopy image stacks, but for time-series and multi-channel data as well. The system was designed primarily for workloads that build connectomes---neural connectivity maps of the brain---using the parallel execution of computer vision algorithms on high-performance compute clusters. These services and open-science data sets are publicly available at http://openconnecto.me. The system design inherits much from NoSQL scale-out and data-intensive computing architectures. We distribute data to cluster nodes by partitioning a spatial index. We direct I/O to different systems---reads to parallel disk arrays and writes to solid-state storage---to avoid I/O interference and maximize throughput. All programming interfaces are RESTful Web services, which are simple and stateless, improving scalability and usability. We include a performance evaluation of the production system, highlighting the effectiveness of spatial data organization.
Orchestrating parametric fitting of multicomponent spectra at scale is an essential yet underappreciated task in high-throughput quantification of materials and chemical composition. To automate the annotation process for spectroscopic and diffraction data collected in counts of hundreds to thousands, we present a systematic approach compatible with high-performance computing infrastructures using the MapReduce model and task-based parallelization. We implement the approach in software and demonstrate linear computational scaling with respect to spectral components using multidimensional experimental materials characterization datasets from photoemission spectroscopy and powder electron diffraction as benchmarks. Our approach enables efficient generation of high-quality data annotation and online spectral analysis and is applicable to a variety of analytical techniques in materials science and chemistry as a building block for closed-loop experimental systems.
This paper explains the scalable methods used for extracting and analyzing the Covid-19 vaccine data. Using Big Data such as Hadoop and Hive, we collect and analyze the massive data set of the confirmed, the fatality, and the vaccination data set of Covid-19. The data size is about 3.2 Giga-Byte. We show that it is possible to store and process massive data with Big Data. The paper proceeds tempo-spatial analysis, and visual maps, charts, and pie charts visualize the result of the investigation. We illustrate that the more vaccinated, the fewer the confirmed cases.
COVID-19 has claimed more 1 million lives and resulted in over 40 million infections. There is an urgent need to identify drugs that can inhibit SARS-CoV-2. In response, the DOE recently established the Medical Therapeutics project as part of the National Virtual Biotechnology Laboratory, and tasked it with creating the computational infrastructure and methods necessary to advance therapeutics development. We discuss innovations in computational infrastructure and methods that are accelerating and advancing drug design. Specifically, we describe several methods that integrate artificial intelligence and simulation-based approaches, and the design of computational infrastructure to support these methods at scale. We discuss their implementation and characterize their performance, and highlight science advances that these capabilities have enabled.
Usage of GPUs as co-processors is a well-established approach to accelerate costly algorithms operating on matrices and vectors. We aim to further improve the performance of the Global Neutrino Analysis framework (GNA) by adding GPU support in a way that is transparent to the end user. To achieve our goal we use CUDA, a state of the art technology providing GPGPU programming methods. In this paper we describe new features of GNA related to CUDA support. Some specific framework features that influence GPGPU integration are also explained. The paper investigates the feasibility of GPU technology application and shows an example of the achieved acceleration of an algorithm implemented within framework. Benchmarks show a significant performance increase when using GPU transformations. The project is currently in the developmental phase. Our plans include implementation of the set of transformations necessary for the data analysis in the GNA framework and tests of the GPU expediency in the complete analysis chain.
The movement of large-scale (tens of Terabytes and larger) data sets between high performance computing (HPC) facilities is an important and increasingly critical capability. A growing number of scientific collaborations rely on HPC facilities for tasks which either require large-scale data sets as input or produce large-scale data sets as output. In order to enable the transfer of these data sets as needed by the scientific community, HPC facilities must design and deploy the appropriate data transfer capabilities to allow users to do data placement at scale. This paper describes the Petascale DTN Project, an effort undertaken by four HPC facilities, which succeeded in achieving routine data transfer rates of over 1PB/week between the facilities. We describe the design and configuration of the Data Transfer Node (DTN) clusters used for large-scale data transfers at these facilities, the software tools used, and the performance tuning that enabled this capability.