Bounds on edit metric codes with combinatorial DNA constraints

The design of a large and reliable DNA codeword library is a key problem in DNA based computing. DNA codes, namely sets of fixed length edit metric codewords over the alphabet {A, C, G, T}, satisfy certain combinatorial constraints with respect to biological and chemical restrictions of DNA strands. The primary constraints that we consider are the reverse--complement constraint and the fixed GC--content constraint, as well as the basic edit distance constraint between codewords. We focus on exploring the theory underlying DNA codes and discuss several approaches to searching for optimal DNA codes. We use Conway's lexicode algorithm and an exhaustive search algorithm to produce provably optimal DNA codes for codes with small parameter values. And a genetic algorithm is proposed to search for some sub--optimal DNA codes with relatively large parameter values, where we can consider their sizes as reasonable lower bounds of DNA codes. Furthermore, we provide tables of bounds on sizes of DNA codes with length from 1 to 9 and minimum distance from 1 to 9

Content-aware compression for big textual data analysis

A substantial amount of information on the Internet is present in the form of text. The value of this semi-structured and unstructured data has been widely acknowledged, with consequent scientific and commercial exploitation. The ever-increasing data production, however, pushes data analytic platforms to their limit. This thesis proposes techniques for more efficient textual big data analysis suitable for the Hadoop analytic platform. This research explores the direct processing of compressed textual data. The focus is on developing novel compression methods with a number of desirable properties to support text-based big data analysis in distributed environments. The novel contributions of this work include the following. Firstly, a Content-aware Partial Compression (CaPC) scheme is developed. CaPC makes a distinction between informational and functional content in which only the informational content is compressed. Thus, the compressed data is made transparent to existing software libraries which often rely on functional content to work. Secondly, a context-free bit-oriented compression scheme (Approximated Huffman Compression) based on the Huffman algorithm is developed. This uses a hybrid data structure that allows pattern searching in compressed data in linear time. Thirdly, several modern compression schemes have been extended so that the compressed data can be safely split with respect to logical data records in distributed file systems. Furthermore, an innovative two layer compression architecture is used, in which each compression layer is appropriate for the corresponding stage of data processing. Peripheral libraries are developed that seamlessly link the proposed compression schemes to existing analytic platforms and computational frameworks, and also make the use of the compressed data transparent to developers. The compression schemes have been evaluated for a number of standard MapReduce analysis tasks using a collection of real-world datasets. In comparison with existing solutions, they have shown substantial improvement in performance and significant reduction in system resource requirements

Efficient Storage of Genomic Sequences in High Performance Computing Systems

ABSTRACT: In this dissertation, we address the challenges of genomic data storage in high performance computing systems. In particular, we focus on developing a referential compression approach for Next Generation Sequence data stored in FASTQ format files. The amount of genomic data available for researchers to process has increased exponentially, bringing enormous challenges for its efficient storage and transmission. General-purpose compressors can only offer limited performance for genomic data, thus the need for specialized compression solutions. Two trends have emerged as alternatives to harness the particular properties of genomic data: non-referential and referential compression. Non-referential compressors offer higher compression rations than general purpose compressors, but still below of what a referential compressor could theoretically achieve. However, the effectiveness of referential compression depends on selecting a good reference and on having enough computing resources available. This thesis presents one of the first referential compressors for FASTQ files. We first present a comprehensive analytical and experimental evaluation of the most relevant tools for genomic raw data compression, which led us to identify the main needs and opportunities in this field. As a consequence, we propose a novel compression workflow that aims at improving the usability of referential compressors. Subsequently, we discuss the implementation and performance evaluation for the core of the proposed workflow: a referential compressor for reads in FASTQ format that combines local read-to-reference alignments with a specialized binary-encoding strategy. The compression algorithm, named UdeACompress, achieved very competitive compression ratios when compared to the best compressors in the current state of the art, while showing reasonable execution times and memory use. In particular, UdeACompress outperformed all competitors when compressing long reads, typical of the newest sequencing technologies. Finally, we study the main aspects of the data-level parallelism in the Intel AVX-512 architecture, in order to develop a parallel version of the UdeACompress algorithms to reduce the runtime. Through the use of SIMD programming, we managed to significantly accelerate the main bottleneck found in UdeACompress, the Suffix Array Construction

Evolutionary Computation

This book presents several recent advances on Evolutionary Computation, specially evolution-based optimization methods and hybrid algorithms for several applications, from optimization and learning to pattern recognition and bioinformatics. This book also presents new algorithms based on several analogies and metafores, where one of them is based on philosophy, specifically on the philosophy of praxis and dialectics. In this book it is also presented interesting applications on bioinformatics, specially the use of particle swarms to discover gene expression patterns in DNA microarrays. Therefore, this book features representative work on the field of evolutionary computation and applied sciences. The intended audience is graduate, undergraduate, researchers, and anyone who wishes to become familiar with the latest research work on this field

Computational Approaches to Drug Profiling and Drug-Protein Interactions

Despite substantial increases in R&D spending within the pharmaceutical industry, denovo drug design has become a time-consuming endeavour. High attrition rates led to a long period of stagnation in drug approvals. Due to the extreme costs associated with introducing a drug to the market, locating and understanding the reasons for clinical failure is key to future productivity. As part of this PhD, three main contributions were made in this respect. First, the web platform, LigNFam enables users to interactively explore similarity relationships between ‘drug like’ molecules and the proteins they bind. Secondly, two deep-learning-based binding site comparison tools were developed, competing with the state-of-the-art over benchmark datasets. The models have the ability to predict offtarget interactions and potential candidates for target-based drug repurposing. Finally, the open-source ScaffoldGraph software was presented for the analysis of hierarchical scaffold relationships and has already been used in multiple projects, including integration into a virtual screening pipeline to increase the tractability of ultra-large screening experiments. Together, and with existing tools, the contributions made will aid in the understanding of drug-protein relationships, particularly in the fields of off-target prediction and drug repurposing, helping to design better drugs faster

GPU-Acceleration of In-Memory Data Analytics

Hardware advances strongly influence the database system design. The flattening speed of CPU cores makes many-core accelerators, such as GPUs, a vital alternative to explore for processing the ever-increasing amounts of data. GPUs have a significantly higher degree of parallelism than multi-core CPUs but their cores are simpler. As a result, they do not face the power constraints limiting the parallelism of CPUs. Their trade-off, however, is the increased implementation complexity. This thesis adapts and redesigns data analytics operators to better exploit the GPU special memory and threading model. Due to the increasing memory capacity and also the user's need for fast interaction with the data, we focus on in-memory analytics. Our techniques span different steps of the data processing pipeline: (1) Data preprocessing, (2) Query compilation, and (3) Algorithmic optimization of the operators. Our data preprocessing techniques adapt the data layout for numeric and string columns to maximize the achieved GPU memory bandwidth. Our query compilation techniques compute the optimal execution plan for conjunctive filters. We formulate \textit{memory divergence} for string matching algorithms and suggest how to eliminate it. Finally, we parallelize decompression algorithms in our compression framework \textit{Gompresso} to fit more data into the limited GPU memory. Gompresso achieves high speed-ups on GPUs over multi-core CPU state-of-the-art libraries and is suitable for any massively parallel processor

Entropy in Image Analysis II

Image analysis is a fundamental task for any application where extracting information from images is required. The analysis requires highly sophisticated numerical and analytical methods, particularly for those applications in medicine, security, and other fields where the results of the processing consist of data of vital importance. This fact is evident from all the articles composing the Special Issue "Entropy in Image Analysis II", in which the authors used widely tested methods to verify their results. In the process of reading the present volume, the reader will appreciate the richness of their methods and applications, in particular for medical imaging and image security, and a remarkable cross-fertilization among the proposed research areas

Frequent itemset mining on multiprocessor systems

Frequent itemset mining is an important building block in many data mining applications like market basket analysis, recommendation, web-mining, fraud detection, and gene expression analysis. In many of them, the datasets being mined can easily grow up to hundreds of gigabytes or even terabytes of data. Hence, efficient algorithms are required to process such large amounts of data. In recent years, there have been many frequent-itemset mining algorithms proposed, which however (1) often have high memory requirements and (2) do not exploit the large degrees of parallelism provided by modern multiprocessor systems. The high memory requirements arise mainly from inefficient data structures that have only been shown to be sufficient for small datasets. For large datasets, however, the use of these data structures force the algorithms to go out-of-core, i.e., they have to access secondary memory, which leads to serious performance degradations. Exploiting available parallelism is further required to mine large datasets because the serial performance of processors almost stopped increasing. Algorithms should therefore exploit the large number of available threads and also the other kinds of parallelism (e.g., vector instruction sets) besides thread-level parallelism. In this work, we tackle the high memory requirements of frequent itemset mining twofold: we (1) compress the datasets being mined because they must be kept in main memory during several mining invocations and (2) improve existing mining algorithms with memory-efficient data structures. For compressing the datasets, we employ efficient encodings that show a good compression performance on a wide variety of realistic datasets, i.e., the size of the datasets is reduced by up to 6.4x. The encodings can further be applied directly while loading the dataset from disk or network. Since encoding and decoding is repeatedly required for loading and mining the datasets, we reduce its costs by providing parallel encodings that achieve high throughputs for both tasks. For a memory-efficient representation of the mining algorithms’ intermediate data, we propose compact data structures and even employ explicit compression. Both methods together reduce the intermediate data’s size by up to 25x. The smaller memory requirements avoid or delay expensive out-of-core computation when large datasets are mined. For coping with the high parallelism provided by current multiprocessor systems, we identify the performance hot spots and scalability issues of existing frequent-itemset mining algorithms. The hot spots, which form basic building blocks of these algorithms, cover (1) counting the frequency of fixed-length strings, (2) building prefix trees, (3) compressing integer values, and (4) intersecting lists of sorted integer values or bitmaps. For all of them, we discuss how to exploit available parallelism and provide scalable solutions. Furthermore, almost all components of the mining algorithms must be parallelized to keep the sequential fraction of the algorithms as small as possible. We integrate the parallelized building blocks and components into three well-known mining algorithms and further analyze the impact of certain existing optimizations. Our algorithms are already single-threaded often up an order of magnitude faster than existing highly optimized algorithms and further scale almost linear on a large 32-core multiprocessor system. Although our optimizations are intended for frequent-itemset mining algorithms, they can be applied with only minor changes to algorithms that are used for mining of other types of itemsets

Selected Papers from the First International Symposium on Future ICT (Future-ICT 2019) in Conjunction with 4th International Symposium on Mobile Internet Security (MobiSec 2019)

The International Symposium on Future ICT (Future-ICT 2019) in conjunction with the 4th International Symposium on Mobile Internet Security (MobiSec 2019) was held on 17–19 October 2019 in Taichung, Taiwan. The symposium provided academic and industry professionals an opportunity to discuss the latest issues and progress in advancing smart applications based on future ICT and its relative security. The symposium aimed to publish high-quality papers strictly related to the various theories and practical applications concerning advanced smart applications, future ICT, and related communications and networks. It was expected that the symposium and its publications would be a trigger for further related research and technology improvements in this field