Large-scale Data Analysis and Deep Learning Using Distributed Cyberinfrastructures and High Performance Computing

Data in many research fields continues to grow in both size and complexity. For instance, recent technological advances have caused an increased throughput in data in various biological-related endeavors, such as DNA sequencing, molecular simulations, and medical imaging. In addition, the variance in the types of data (textual, signal, image, etc.) adds an additional complexity in analyzing the data. As such, there is a need for uniquely developed applications that cater towards the type of data. Several considerations must be made when attempting to create a tool for a particular dataset. First, we must consider the type of algorithm required for analyzing the data. Next, since the size and complexity of the data imposes high computation and memory requirements, it is important to select a proper hardware environment on which to build the application. By carefully both developing the algorithm and selecting the hardware, we can provide an effective environment in which to analyze huge amounts of highly complex data in a large-scale manner. In this dissertation, I go into detail regarding my applications using big data and deep learning techniques to analyze complex and large data. I investigate how big data frameworks, such as Hadoop, can be applied to problems such as large-scale molecular dynamics simulations. Following this, many popular deep learning frameworks are evaluated and compared to find those that suit certain hardware setups and deep learning models. Then, we explore an application of deep learning to a biomedical problem, namely ADHD diagnosis from fMRI data. Lastly, I demonstrate a framework for real-time and fine-grained vehicle detection and classification. With each of these works in this dissertation, a unique large-scale analysis algorithm or deep learning model is implemented that caters towards the problem and leverages specialized computing resources

An extensible and scalable Pilot-MapReduce framework for data intensive applications on distributed cyberinfrastructure

The volume and complexity of data that must be analyzed in scientific applications is increasing exponentially. Often, this data is distributed; thus, the ability to analyze data by localizing it will yield limited returns. Therefore, an efficient processing of large distributed datasets is required, whilst ideally not introducing fundamentally new programming models or methods. For example, extending MapReduce - a proven effective programming model for processing large datasets, to work more effectively on distributed data and on different infrastructure (such as non-Hadoop, general-purpose clusters) is desirable. We posit that this can be achieved with an effective and efficient runtime environment and without refactoring MapReduce itself. MapReduce on distributed data requires effective distributed coordination of computation (map and reduce) and data, as well as distributed data management (in particular the transfer of intermediate data units). To address these requirements, we design and implement Pilot-MapReduce (PMR) - a flexible, infrastructure-independent runtime environment for MapReduce. PMR is based on Pilot abstractions for both compute (Pilot- Jobs) and data (Pilot-Data): it utilizes Pilot-Jobs to couple the map phase computation to the nearby source data, and Pilot-Data to move intermediate data using parallel data transfers to the reduce computation phase. We analyze the effectiveness of PMR over applications with different characteristics (e. g. different volumes of intermediate and output data). Our experimental evaluations show that the Pilot abstraction for data movement across multiple clusters is promising, and can lower the execution time span of the entire MapReduce execution. We also investigate the performance of PMR with distributed data using a Word Count and a genome sequencing application over different MapReduce configurations. We find that PMR is a viable tool to support distributed NGS analytics by comparing and contrasting the PMR approach to similar capabilities of Seqal and Crossbow, two Next Generation Sequencing(NGS) Hadoop MapReduce based applications. Our experiments show that PMR provides the desired flexibility in the deployment and configuration of MapReduce runs to address specific application characteristics and achieve an optimal performance, both locally and over wide-area multiple clusters

Big Data and Large-scale Data Analytics: Efficiency of Sustainable Scalability and Security of Centralized Clouds and Edge Deployment Architectures

One of the significant shifts of the next-generation computing technologies will certainly be in the development of Big Data (BD) deployment architectures. Apache Hadoop, the BD landmark, evolved as a widely deployed BD operating system. Its new features include federation structure and many associated frameworks, which provide Hadoop 3.x with the maturity to serve different markets. This dissertation addresses two leading issues involved in exploiting BD and large-scale data analytics realm using the Hadoop platform. Namely, (i)Scalability that directly affects the system performance and overall throughput using portable Docker containers. (ii) Security that spread the adoption of data protection practices among practitioners using access controls. An Enhanced Mapreduce Environment (EME), OPportunistic and Elastic Resource Allocation (OPERA) scheduler, BD Federation Access Broker (BDFAB), and a Secure Intelligent Transportation System (SITS) of multi-tiers architecture for data streaming to the cloud computing are the main contribution of this thesis study

A Study of Scalability and Cost-effectiveness of Large-scale Scientific Applications over Heterogeneous Computing Environment

Recent advances in large-scale experimental facilities ushered in an era of data-driven science. These large-scale data increase the opportunity to answer many fundamental questions in basic science. However, these data pose new challenges to the scientific community in terms of their optimal processing and transfer. Consequently, scientists are in dire need of robust high performance computing (HPC) solutions that can scale with terabytes of data. In this thesis, I address the challenges in three major aspects of scientific big data processing as follows: 1) Developing scalable software and algorithms for data- and compute-intensive scientific applications. 2) Proposing new cluster architectures that these software tools need for good performance. 3) Transferring the big scientific dataset among clusters situated at geographically disparate locations. In the first part, I develop scalable algorithms to process huge amounts of scientific big data using the power of recent analytic tools such as, Hadoop, Giraph, NoSQL, etc. At a broader level, these algorithms take the advantage of locality-based computing that can scale with increasing amount of data. The thesis mainly addresses the challenges involved in large-scale genome analysis applications such as, genomic error correction and genome assembly which made their way to the forefront of big data challenges recently. In the second part of the thesis, I perform a systematic benchmark study using the above-mentioned algorithms on different distributed cyberinfrastructures to pinpoint the limitations in a traditional HPC cluster to process big data. Then I propose the solution to those limitations by balancing the I/O bandwidth of the solid state drive (SSD) with the computational speed of high-performance CPUs. A theoretical model has been also proposed to help the HPC system designers who are striving for system balance. In the third part of the thesis, I develop a high throughput architecture for transferring these big scientific datasets among geographically disparate clusters. The architecture leverages the power of Ethereum\u27s Blockchain technology and Swarm\u27s peer-to-peer (P2P) storage technology to transfer the data in secure, tamper-proof fashion. Instead of optimizing the computation in a single cluster, in this part, my major motivation is to foster translational research and data interoperability in collaboration with multiple institutions

On Improving Efficiency of Data-Intensive Applications in Geo-Distributed Environments

Distributed systems are pervasively demanded and adopted in nowadays for processing data-intensive workloads since they greatly accelerate large-scale data processing with scalable parallelism and improved data locality. Traditional distributed systems initially targeted computing clusters but have since evolved to data centers with multiple clusters. These systems are mostly built on top of homogeneous, tightly integrated resources connected in high-speed local-area networks (LANs), and typically require data to be ingested to a central data center for processing. Today, with enormous volumes of data continuously generated from geographically distributed locations, direct adoption of such systems is prohibitively inefficient due to the limited system scalability and high cost for centralizing the geo-distributed data over the wide-area networks (WANs). More commonly, it becomes a trend to build geo-distributed systems wherein data processing jobs are performed on top of geo-distributed, heterogeneous resources in proximity to the data at vastly distributed geo-locations. However, critical challenges and mechanisms for efficient execution of data-intensive applications in such geo-distributed environments are unclear by far. The goal of this dissertation is to identify such challenges and mechanisms, by extensively using the research principles and methodology of conventional distributed systems to investigate the geo-distributed environment, and by developing new techniques to tackle these challenges and run data-intensive applications with efficiency at scale. The contributions of this dissertation are threefold. Firstly, the dissertation shows that the high level of resource heterogeneity exhibited in the geo-distributed environment undermines the scalability of geo-distributed systems. Virtualization-based resource abstraction mechanisms have been introduced to abstract the hardware, network, and OS resources throughout the system, to mitigate the underlying resource heterogeneity and enhance the system scalability. Secondly, the dissertation reveals the overwhelming performance and monetary cost incurred by indulgent data sharing over the WANs in geo-distributed systems. Network optimization approaches, including linear- programming-based global optimization, greedy bin-packing heuristics, and TCP enhancement, are developed to optimize the network resource utilization and circumvent unnecessary expenses imposed on data sharing in WANs. Lastly, the dissertation highlights the importance of data locality for data-intensive applications running in the geo-distributed environment. Novel data caching and locality-aware scheduling techniques are devised to improve the data locality.Doctor of Philosoph

Big Data Computing for Geospatial Applications

The convergence of big data and geospatial computing has brought forth challenges and opportunities to Geographic Information Science with regard to geospatial data management, processing, analysis, modeling, and visualization. This book highlights recent advancements in integrating new computing approaches, spatial methods, and data management strategies to tackle geospatial big data challenges and meanwhile demonstrates opportunities for using big data for geospatial applications. Crucial to the advancements highlighted in this book is the integration of computational thinking and spatial thinking and the transformation of abstract ideas and models to concrete data structures and algorithms

Survey and Analysis of Production Distributed Computing Infrastructures

This report has two objectives. First, we describe a set of the production distributed infrastructures currently available, so that the reader has a basic understanding of them. This includes explaining why each infrastructure was created and made available and how it has succeeded and failed. The set is not complete, but we believe it is representative. Second, we describe the infrastructures in terms of their use, which is a combination of how they were designed to be used and how users have found ways to use them. Applications are often designed and created with specific infrastructures in mind, with both an appreciation of the existing capabilities provided by those infrastructures and an anticipation of their future capabilities. Here, the infrastructures we discuss were often designed and created with specific applications in mind, or at least specific types of applications. The reader should understand how the interplay between the infrastructure providers and the users leads to such usages, which we call usage modalities. These usage modalities are really abstractions that exist between the infrastructures and the applications; they influence the infrastructures by representing the applications, and they influence the ap- plications by representing the infrastructures

Data-Driven Rational Drug Design

Vast amount of experimental data in structural biology has been generated, collected and accumulated in the last few decades. This rich dataset is an invaluable mine of knowledge, from which deep insights can be obtained and practical applications can be developed. To achieve that goal, we must be able to manage such Big Data\u27\u27 in science and investigate them expertly. Molecular docking is a field that can prominently make use of the large structural biology dataset. As an important component of rational drug design, molecular docking is used to perform large-scale screening of putative associations between small organic molecules and their pharmacologically relevant protein targets. Given a small molecule (ligand), a molecular docking program simulates its interaction with the target protein, and reports the probable conformation of the protein-ligand complex, and the relative binding affinity compared against other candidate ligands. This dissertation collects my contributions in several aspects of molecular docking. My early contribution focused on developing a novel metric to quantify the structural similarity between two protein-ligand complexes. Benchmarks show that my metric addressed several issues associated with the conventional metric. Furthermore, I extended the functionality of this metric to cross different systems, effectively utilizing the data at the proteome level. After developing the novel metric, I formulated a scoring function that can extract the biological information of the complex, integrate it with the physics components, and finally enhance the performance. Through collaboration, I implemented my model into an ultra-fast, adaptive program, which can take advantage of a range of modern parallel architectures and handle the demanding data processing tasks in large scale molecular docking applications