FPGA acceleration of sequence analysis tools in bioinformatics

Thesis (Ph.D.)--Boston UniversityWith advances in biotechnology and computing power, biological data are being produced at an exceptional rate. The purpose of this study is to analyze the application of FPGAs to accelerate high impact production biosequence analysis tools. Compared with other alternatives, FPGAs offer huge compute power, lower power consumption, and reasonable flexibility. BLAST has become the de facto standard in bioinformatic approximate string matching and so its acceleration is of fundamental importance. It is a complex highly-optimized system, consisting of tens of thousands of lines of code and a large number of heuristics. Our idea is to emulate the main phases of its algorithm on FPGA. Utilizing our FPGA engine, we quickly reduce the size of the database to a small fraction, and then use the original code to process the query. Using a standard FPGA-based system, we achieved 12x speedup over a highly optimized multithread reference code. Multiple Sequence Alignment (MSA)--the extension of pairwise Sequence Alignment to multiple Sequences--is critical to solve many biological problems. Previous attempts to accelerate Clustal-W, the most commonly used MSA code, have directly mapped a portion of the code to the FPGA. We use a new approach: we apply prefiltering of the kind commonly used in BLAST to perform the initial all-pairs alignments. This results in a speedup of from 8Ox to 190x over the CPU code (8 cores). The quality is comparable to the original according to a commonly used benchmark suite evaluated with respect to multiple distance metrics. The challenge in FPGA-based acceleration is finding a suitable application mapping. Unfortunately many software heuristics do not fall into this category and so other methods must be applied. One is restructuring: an entirely new algorithm is applied. Another is to analyze application utilization and develop accuracy/performance tradeoffs. Using our prefiltering approach and novel FPGA programming models we have achieved significant speedup over reference programs. We have applied approximation, seeding, and filtering to this end. The bulk of this study is to introduce the pros and cons of these acceleration models for biosequence analysis tools

Modeling Algorithm Performance on Highly-threaded Many-core Architectures

The rapid growth of data processing required in various arenas of computation over the past decades necessitates extensive use of parallel computing engines. Among those, highly-threaded many-core machines, such as GPUs have become increasingly popular for accelerating a diverse range of data-intensive applications. They feature a large number of hardware threads with low-overhead context switches to hide the memory access latencies and therefore provide high computational throughput. However, understanding and harnessing such machines places great challenges on algorithm designers and performance tuners due to the complex interaction of threads and hierarchical memory subsystems of these machines. The achieved performance jointly depends on the parallelism exploited by the algorithm, the effectiveness of latency hiding, and the utilization of multiprocessors (occupancy). Contemporary work tries to model the performance of GPUs from various aspects with different emphasis and granularity. However, no model considers all of these factors together at the same time. This dissertation presents an analytical framework that jointly addresses parallelism, latency-hiding, and occupancy for both theoretical and empirical performance analysis of algorithms on highly-threaded many-core machines so that it can guide both algorithm design and performance tuning. In particular, this framework not only helps to explore and reduce the runtime configuration space for tuning kernel execution on GPUs, but also reflects performance bottlenecks and predicts how the runtime will trend as the problem and other parameters scale. The framework consists of a pair of analytical models with one focusing on higher-level asymptotic algorithm performance on GPUs and the other one emphasizing lower-level details about scheduling and runtime configuration. Based on the two models, we have conducted extensive analysis of a large set of algorithms. Two analysis provides interesting results and explains previously unexplained data. In addition, the two models are further bridged and combined as a consistent framework. The framework is able to provide an end-to-end methodology for algorithm design, evaluation, comparison, implementation, and prediction of real runtime on GPUs fairly accurately. To demonstrate the viability of our methods, the models are validated through data from implementations of a variety of classic algorithms, including hashing, Bloom filters, all-pairs shortest path, matrix multiplication, FFT, merge sort, list ranking, string matching via suffix tree/array, etc. We evaluate the models\u27 performance across a wide spectrum of parameters, data values, and machines. The results indicate that the models can be effectively used for algorithm performance analysis and runtime prediction on highly-threaded many-core machines

Physical land degradation and loss of soil fertility: soil structural stability and bio-physical indicators

This study investigates the changes in soil fertility due to the different aggregate breakdown mechanisms and it analyses their relationships in different soil-plant systems, using physical aggregates behavior and organic matter (OM) changes as indicators. Three case studies were investigated: i) an organic agricultural soil, where a combined method, aimed to couple aggregate stability to nutrients loss, were tested; ii) a soil biosequence, where OM chemical characterisation and fractionation of aggregates on the basis of their physical behaviour were coupled and iii) a soils sequence in different phytoclimatic conditions, where isotopic C signature of separated aggregates was analysed. In agricultural soils the proposed combined method allows to identify that the severity of aggregate breakdown affected the quantity of nutrients lost more than nutrients availability, and that P, K and Mg were the most susceptible elements to water abrasion, while C and N were mainly susceptible to wetting. In the studied Chestnut-Douglas fir biosequence, OM chemical properties affected the relative importance of OM direct and indirect mechanisms (i.e., organic and organic-metallic cements, respectively) involved in aggregate stability and nutrient losses: under Douglas fir, high presence of carboxylate groups enhanced OM-metal interactions and stabilised aggregates; whereas under Chestnut, OM directly acted and fresh, more C-rich OM was preserved. OM direct mechanism seemed to be more efficient in C preservation in aggregates. The 13C natural abundance approach showed that, according to phytoclimatic conditions, stable macroaggregates can form both around partially decomposed OM and by organic-mineral interactions. In topsoils, aggregate resistance enhanced 13C-rich OM preservation, but in subsoils C preservation was due to other mechanisms, likely OM-mineral interactions. The proposed combined approach seems to be useful in the understanding of C and nutrients fate relates to water stresses, and in future research it could provide new insights into the complexity of soil biophysical processes

Why High-Performance Modelling and Simulation for Big Data Applications Matters

Modelling and Simulation (M&S) offer adequate abstractions to manage the complexity of analysing big data in scientific and engineering domains. Unfortunately, big data problems are often not easily amenable to efficient and effective use of High Performance Computing (HPC) facilities and technologies. Furthermore, M&S communities typically lack the detailed expertise required to exploit the full potential of HPC solutions while HPC specialists may not be fully aware of specific modelling and simulation requirements and applications. The COST Action IC1406 High-Performance Modelling and Simulation for Big Data Applications has created a strategic framework to foster interaction between M&S experts from various application domains on the one hand and HPC experts on the other hand to develop effective solutions for big data applications. One of the tangible outcomes of the COST Action is a collection of case studies from various computing domains. Each case study brought together both HPC and M&S experts, giving witness of the effective cross-pollination facilitated by the COST Action. In this introductory article we argue why joining forces between M&S and HPC communities is both timely in the big data era and crucial for success in many application domains. Moreover, we provide an overview on the state of the art in the various research areas concerned

Communication-Efficient Jaccard Similarity for High-Performance Distributed Genome Comparisons

The Jaccard similarity index is an important measure of the overlap of two sets, widely used in machine learning, computational genomics, information retrieval, and many other areas. We design and implement SimilarityAtScale, the first communication-efficient distributed algorithm for computing the Jaccard similarity among pairs of large datasets. Our algorithm provides an efficient encoding of this problem into a multiplication of sparse matrices. Both the encoding and sparse matrix product are performed in a way that minimizes data movement in terms of communication and synchronization costs. We apply our algorithm to obtain similarity among all pairs of a set of large samples of genomes. This task is a key part of modern metagenomics analysis and an evergrowing need due to the increasing availability of high-throughput DNA sequencing data. The resulting scheme is the first to enable accurate Jaccard distance derivations for massive datasets, using largescale distributed-memory systems. We package our routines in a tool, called GenomeAtScale, that combines the proposed algorithm with tools for processing input sequences. Our evaluation on real data illustrates that one can use GenomeAtScale to effectively employ tens of thousands of processors to reach new frontiers in large-scale genomic and metagenomic analysis. While GenomeAtScale can be used to foster DNA research, the more general underlying SimilarityAtScale algorithm may be used for high-performance distributed similarity computations in other data analytics application domains

Low-Impact Profiling of Streaming, Heterogeneous Applications

Computer engineers are continually faced with the task of translating improvements in fabrication process technology: i.e., Moore\u27s Law) into architectures that allow computer scientists to accelerate application performance. As feature-size continues to shrink, architects of commodity processors are designing increasingly more cores on a chip. While additional cores can operate independently with some tasks: e.g. the OS and user tasks), many applications see little to no improvement from adding more processor cores alone. For many applications, heterogeneous systems offer a path toward higher performance. Significant performance and power gains have been realized by combining specialized processors: e.g., Field-Programmable Gate Arrays, Graphics Processing Units) with general purpose multi-core processors. Heterogeneous applications need to be programmed differently than traditional software. One approach, stream processing, fits these systems particularly well because of the segmented memories and explicit expression of parallelism. Unfortunately, debugging and performance tools that support streaming, heterogeneous applications do not exist. This dissertation presents TimeTrial, a performance measurement system that enables performance optimization of streaming applications by profiling the application deployed on a heterogeneous system. TimeTrial performs low-impact measurements by dedicating computing resources to monitoring and by aggressively compressing performance traces into statistical summaries guided by user specification of the performance queries of interest