FPGAを用いた最節約法による進化系統樹構築アルゴリズムの高速化

筑波大学 (University of Tsukuba)201

Survey of FPGA applications in the period 2000 – 2015 (Technical Report)

Romoth J, Porrmann M, Rückert U. Survey of FPGA applications in the period 2000 – 2015 (Technical Report).; 2017.Since their introduction, FPGAs can be seen in more and more different fields of applications. The key advantage is the combination of software-like flexibility with the performance otherwise common to hardware. Nevertheless, every application field introduces special requirements to the used computational architecture. This paper provides an overview of the different topics FPGAs have been used for in the last 15 years of research and why they have been chosen over other processing units like e.g. CPUs

Homology sequence analysis using GPU acceleration

A number of problems in bioinformatics, systems biology and computational biology field require abstracting physical entities to mathematical or computational models. In such studies, the computational paradigms often involve algorithms that can be solved by the Central Processing Unit (CPU). Historically, those algorithms benefit from the advancements of computing power in the serial processing capabilities of individual CPU cores. However, the growth has slowed down over recent years, as scaling out CPU has been shown to be both cost-prohibitive and insecure. To overcome this problem, parallel computing approaches that employ the Graphics Processing Unit (GPU) have gained attention as complementing or replacing traditional CPU approaches. The premise of this research is to investigate the applicability of various parallel computing platforms to several problems in the detection and analysis of homology in biological sequence. I hypothesize that by exploiting the sheer amount of computation power and sequencing data, it is possible to deduce information from raw sequences without supplying the underlying prior knowledge to come up with an answer. I have developed such tools to perform analysis at scales that are traditionally unattainable with general-purpose CPU platforms. I have developed a method to accelerate sequence alignment on the GPU, and I used the method to investigate whether the Operational Taxonomic Unit (OTU) classification problem can be improved with such sheer amount of computational power. I have developed a method to accelerate pairwise k-mer comparison on the GPU, and I used the method to further develop PolyHomology, a framework to scaffold shared sequence motifs across large numbers of genomes to illuminate the structure of the regulatory network in yeasts. The results suggest that such approach to heterogeneous computing could help to answer questions in biology and is a viable path to new discoveries in the present and the future.Includes bibliographical reference

Fundamentals

Volume 1 establishes the foundations of this new field. It goes through all the steps from data collection, their summary and clustering, to different aspects of resource-aware learning, i.e., hardware, memory, energy, and communication awareness. Machine learning methods are inspected with respect to resource requirements and how to enhance scalability on diverse computing architectures ranging from embedded systems to large computing clusters

Architectural explorations for streaming accelerators with customized memory layouts

El concepto básico de la arquitectura mono-nucleo en los procesadores de propósito general se ajusta bien a un modelo de programación secuencial. La integración de multiples núcleos en un solo chip ha permitido a los procesadores correr partes del programa en paralelo. Sin embargo, la explotación del enorme paralelismo disponible en muchas aplicaciones de alto rendimiento y de los datos correspondientes es difícil de conseguir usando unicamente multicores de propósito general. La aparición de aceleradores tipo streaming y de los correspondientes modelos de programación han mejorado esta situación proporcionando arquitecturas orientadas al proceso de flujos de datos. La idea básica detrás del diseño de estas arquitecturas responde a la necesidad de procesar conjuntos enormes de datos. Estos dispositivos de alto rendimiento orientados a flujos permiten el procesamiento rapido de datos mediante el uso eficiente de computación paralela y comunicación entre procesos. Los aceleradores streaming orientados a flujos, igual que en otros procesadores, consisten en diversos componentes micro-arquitectonicos como por ejemplo las estructuras de memoria, las unidades de computo, las unidades de control, los canales de Entrada/Salida y controles de Entrada/Salida, etc. Sin embargo, los requisitos del flujo de datos agregan algunas características especiales e imponen otras restricciones que afectan al rendimiento. Estos dispositivos, por lo general, ofrecen un gran número de recursos computacionales, pero obligan a reorganizar los conjuntos de datos en paralelo, maximizando la independiencia para alimentar los recursos de computación en forma de flujos. La disposición de datos en conjuntos independientes de flujos paralelos no es una tarea sencilla. Es posible que se tenga que cambiar la estructura de un algoritmo en su conjunto o, incluso, puede requerir la reescritura del algoritmo desde cero. Sin embargo, todos estos esfuerzos para la reordenación de los patrones de las aplicaciones de acceso a datos puede que no sean muy útiles para lograr un rendimiento óptimo. Esto es debido a las posibles limitaciones microarquitectonicas de la plataforma de destino para los mecanismos hardware de prefetch, el tamaño y la granularidad del almacenamiento local, y la flexibilidad para disponer de forma serial los datos en el interior del almacenamiento local. Las limitaciones de una plataforma de streaming de proposito general para el prefetching de datos, almacenamiento y demas procedimientos para organizar y mantener los datos en forma de flujos paralelos e independientes podría ser eliminado empleando técnicas a nivel micro-arquitectonico. Esto incluye el uso de memorias personalizadas especificamente para las aplicaciones en el front-end de una arquitectura streaming. El objetivo de esta tesis es presentar exploraciones arquitectónicas de los aceleradores streaming con diseños de memoria personalizados. En general, la tesis cubre tres aspectos principales de tales aceleradores. Estos aspectos se pueden clasificar como: i) Diseño de aceleradores de aplicaciones específicas con diseños de memoria personalizados, ii) diseño de aceleradores con memorias personalizadas basados en plantillas, y iii) exploraciones del espacio de diseño para dispositivos orientados a flujos con las memorias estándar y personalizadas. Esta tesis concluye con la propuesta conceptual de una Blacksmith Streaming Architecture (BSArc). El modelo de computación Blacksmith permite la adopción a nivel de hardware de un front-end de aplicación específico utilizando una GPU como back-end. Esto permite maximizar la explotación de la localidad de datos y el paralelismo a nivel de datos de una aplicación mientras que proporciona un flujo mayor de datos al back-end. Consideramos que el diseño de estos procesadores con memorias especializadas debe ser proporcionado por expertos del dominio de aplicación en la forma de plantillas.The basic concept behind the architecture of a general purpose CPU core conforms well to a serial programming model. The integration of more cores on a single chip helped CPUs in running parts of a program in parallel. However, the utilization of huge parallelism available from many high performance applications and the corresponding data is hard to achieve from these general purpose multi-cores. Streaming accelerators and the corresponding programing models improve upon this situation by providing throughput oriented architectures. The basic idea behind the design of these architectures matches the everyday increasing requirements of processing huge data sets. These high-performance throughput oriented devices help in high performance processing of data by using efficient parallel computations and streaming based communications. The throughput oriented streaming accelerators ¿ similar to the other processors ¿ consist of numerous types of micro-architectural components including the memory structures, compute units, control units, I/O channels and I/O controls etc. However, the throughput requirements add some special features and impose other restrictions for the performance purposes. These devices, normally, offer a large number of compute resources but restrict the applications to arrange parallel and maximally independent data sets to feed the compute resources in the form of streams. The arrangement of data into independent sets of parallel streams is not an easy and simple task. It may need to change the structure of an algorithm as a whole or even it can require to write a new algorithm from scratch for the target application. However, all these efforts for the re-arrangement of application data access patterns may still not be very helpful to achieve the optimal performance. This is because of the possible micro-architectural constraints of the target platform for the hardware pre-fetching mechanisms, the size and the granularity of the local storage and the flexibility in data marshaling inside the local storage. The constraints of a general purpose streaming platform on the data pre-fetching, storing and maneuvering to arrange and maintain it in the form of parallel and independent streams could be removed by employing micro-architectural level design approaches. This includes the usage of application specific customized memories in the front-end of a streaming architecture. The focus of this thesis is to present architectural explorations for the streaming accelerators using customized memory layouts. In general the thesis covers three main aspects of such streaming accelerators in this research. These aspects can be categorized as : i) Design of Application Specific Accelerators with Customized Memory Layout ii) Template Based Design Support for Customized Memory Accelerators and iii) Design Space Explorations for Throughput Oriented Devices with Standard and Customized Memories. This thesis concludes with a conceptual proposal on a Blacksmith Streaming Architecture (BSArc). The Blacksmith Computing allow the hardware-level adoption of an application specific front-end with a GPU like streaming back-end. This gives an opportunity to exploit maximum possible data locality and the data level parallelism from an application while providing a throughput natured powerful back-end. We consider that the design of these specialized memory layouts for the front-end of the device are provided by the application domain experts in the form of templates. These templates are adjustable according to a device and the problem size at the device's configuration time. The physical availability of such an architecture may still take time. However, simulation framework helps in architectural explorations to give insight into the proposal and predicts potential performance benefits for such an architecture

Fundamentals

Volume 1 establishes the foundations of this new field. It goes through all the steps from data collection, their summary and clustering, to different aspects of resource-aware learning, i.e., hardware, memory, energy, and communication awareness. Machine learning methods are inspected with respect to resource requirements and how to enhance scalability on diverse computing architectures ranging from embedded systems to large computing clusters

Architectural explorations for streaming accelerators with customized memory layouts

El concepto básico de la arquitectura mono-nucleo en los procesadores de propósito general se ajusta bien a un modelo de programación secuencial. La integración de multiples núcleos en un solo chip ha permitido a los procesadores correr partes del programa en paralelo. Sin embargo, la explotación del enorme paralelismo disponible en muchas aplicaciones de alto rendimiento y de los datos correspondientes es difícil de conseguir usando unicamente multicores de propósito general. La aparición de aceleradores tipo streaming y de los correspondientes modelos de programación han mejorado esta situación proporcionando arquitecturas orientadas al proceso de flujos de datos. La idea básica detrás del diseño de estas arquitecturas responde a la necesidad de procesar conjuntos enormes de datos. Estos dispositivos de alto rendimiento orientados a flujos permiten el procesamiento rapido de datos mediante el uso eficiente de computación paralela y comunicación entre procesos. Los aceleradores streaming orientados a flujos, igual que en otros procesadores, consisten en diversos componentes micro-arquitectonicos como por ejemplo las estructuras de memoria, las unidades de computo, las unidades de control, los canales de Entrada/Salida y controles de Entrada/Salida, etc. Sin embargo, los requisitos del flujo de datos agregan algunas características especiales e imponen otras restricciones que afectan al rendimiento. Estos dispositivos, por lo general, ofrecen un gran número de recursos computacionales, pero obligan a reorganizar los conjuntos de datos en paralelo, maximizando la independiencia para alimentar los recursos de computación en forma de flujos. La disposición de datos en conjuntos independientes de flujos paralelos no es una tarea sencilla. Es posible que se tenga que cambiar la estructura de un algoritmo en su conjunto o, incluso, puede requerir la reescritura del algoritmo desde cero. Sin embargo, todos estos esfuerzos para la reordenación de los patrones de las aplicaciones de acceso a datos puede que no sean muy útiles para lograr un rendimiento óptimo. Esto es debido a las posibles limitaciones microarquitectonicas de la plataforma de destino para los mecanismos hardware de prefetch, el tamaño y la granularidad del almacenamiento local, y la flexibilidad para disponer de forma serial los datos en el interior del almacenamiento local. Las limitaciones de una plataforma de streaming de proposito general para el prefetching de datos, almacenamiento y demas procedimientos para organizar y mantener los datos en forma de flujos paralelos e independientes podría ser eliminado empleando técnicas a nivel micro-arquitectonico. Esto incluye el uso de memorias personalizadas especificamente para las aplicaciones en el front-end de una arquitectura streaming. El objetivo de esta tesis es presentar exploraciones arquitectónicas de los aceleradores streaming con diseños de memoria personalizados. En general, la tesis cubre tres aspectos principales de tales aceleradores. Estos aspectos se pueden clasificar como: i) Diseño de aceleradores de aplicaciones específicas con diseños de memoria personalizados, ii) diseño de aceleradores con memorias personalizadas basados en plantillas, y iii) exploraciones del espacio de diseño para dispositivos orientados a flujos con las memorias estándar y personalizadas. Esta tesis concluye con la propuesta conceptual de una Blacksmith Streaming Architecture (BSArc). El modelo de computación Blacksmith permite la adopción a nivel de hardware de un front-end de aplicación específico utilizando una GPU como back-end. Esto permite maximizar la explotación de la localidad de datos y el paralelismo a nivel de datos de una aplicación mientras que proporciona un flujo mayor de datos al back-end. Consideramos que el diseño de estos procesadores con memorias especializadas debe ser proporcionado por expertos del dominio de aplicación en la forma de plantillas.The basic concept behind the architecture of a general purpose CPU core conforms well to a serial programming model. The integration of more cores on a single chip helped CPUs in running parts of a program in parallel. However, the utilization of huge parallelism available from many high performance applications and the corresponding data is hard to achieve from these general purpose multi-cores. Streaming accelerators and the corresponding programing models improve upon this situation by providing throughput oriented architectures. The basic idea behind the design of these architectures matches the everyday increasing requirements of processing huge data sets. These high-performance throughput oriented devices help in high performance processing of data by using efficient parallel computations and streaming based communications. The throughput oriented streaming accelerators ¿ similar to the other processors ¿ consist of numerous types of micro-architectural components including the memory structures, compute units, control units, I/O channels and I/O controls etc. However, the throughput requirements add some special features and impose other restrictions for the performance purposes. These devices, normally, offer a large number of compute resources but restrict the applications to arrange parallel and maximally independent data sets to feed the compute resources in the form of streams. The arrangement of data into independent sets of parallel streams is not an easy and simple task. It may need to change the structure of an algorithm as a whole or even it can require to write a new algorithm from scratch for the target application. However, all these efforts for the re-arrangement of application data access patterns may still not be very helpful to achieve the optimal performance. This is because of the possible micro-architectural constraints of the target platform for the hardware pre-fetching mechanisms, the size and the granularity of the local storage and the flexibility in data marshaling inside the local storage. The constraints of a general purpose streaming platform on the data pre-fetching, storing and maneuvering to arrange and maintain it in the form of parallel and independent streams could be removed by employing micro-architectural level design approaches. This includes the usage of application specific customized memories in the front-end of a streaming architecture. The focus of this thesis is to present architectural explorations for the streaming accelerators using customized memory layouts. In general the thesis covers three main aspects of such streaming accelerators in this research. These aspects can be categorized as : i) Design of Application Specific Accelerators with Customized Memory Layout ii) Template Based Design Support for Customized Memory Accelerators and iii) Design Space Explorations for Throughput Oriented Devices with Standard and Customized Memories. This thesis concludes with a conceptual proposal on a Blacksmith Streaming Architecture (BSArc). The Blacksmith Computing allow the hardware-level adoption of an application specific front-end with a GPU like streaming back-end. This gives an opportunity to exploit maximum possible data locality and the data level parallelism from an application while providing a throughput natured powerful back-end. We consider that the design of these specialized memory layouts for the front-end of the device are provided by the application domain experts in the form of templates. These templates are adjustable according to a device and the problem size at the device's configuration time. The physical availability of such an architecture may still take time. However, simulation framework helps in architectural explorations to give insight into the proposal and predicts potential performance benefits for such an architecture.Postprint (published version

Efficient algorithms and architectures for protein 3-D structure comparison

Η σύγκριση δομών πρωτεϊνών είναι ανεπτυγμένος τομέας της υπολογιστικής πρωτεϊνωμικής που χρησιμοποιείται ευρέως στη δομική βιολογία και την ανακάλυψη φαρμάκων. Οι αυξανόμενες υπολογιστικές απαιτήσεις του είναι αποτέλεσμα τριών παραγόντων: ταχεία επέκταση των βάσεων δεδομένων με νέες δομές πρωτεϊνών, υψηλή υπολογιστική πολυπλοκότητα των αλγορίθμων σύγκρισης δομών πρωτεϊνών κατά ζεύγη (PSC), και τάση χρήσης πολλαπλών μεθόδων σύγκρισης και συνδυασμού των αποτελεσμάτων τους (multi criteria protein structure comparison-MCPSC-), μιας και δεν υπάρχει PSC μέθοδος κοινά αποδεκτή ως η καλύτερη. Αναπτύξαμε πλαίσιο λογισμικού που εκμεταλλεύεται επεξεργαστές πολλών πυρήνων για την υλοποίηση παράλληλων στρατηγικών MCPSC με βάση τρεις δημοφιλείς PSC μεθόδους, τις TMalign, CE και USM. Συγκρίνουμε την απόδοση και αποδοτικότητα δύο παράλληλων υλοποιήσεων MCPSC στον πειραματικό επεξεργαστή δικτύου σε ψηφίδα (Network on Chip)  Intel Single-Chip Cloud Computer και τον δημοφιλή επεξεργαστή Intel Core i7. Επιπλέον, αναπτύξαμε εκτενές υπολογιστικό pipeline και υλοποίησή του με πρόγραμμα Python, που ονομάζεται pyMCPSC, που επιτρέπει στους χρήστες να εκτελούν MCPSC διεργασίες σε επεξεργαστές πολλαπλών πυρήνων. Το pyMCPSC, το οποίο συνδυάζει πέντε μεθόδους PSC και υποστηρίζει πέντε διαφορετικά σχήματα συναίνεσης MCPSC, υποστηρίζει τη συγκριτική ανάλυση μεγάλων συνόλων με δομές πρωτεϊνών και μπορεί να επεκταθεί ώστε να ενσωματώσει και νέες μεθόδους PSC στις βαθμολογίες συναίνεσης, καθώς αυτές καθίστανται διαθέσιμες.Protein Structure Comparison (PSC) is a well developed field of computational proteomics with active interest since it is widely used in structural biology and drug discovery. Fast increasing computational demand for all-to-all protein structures comparison is a result of mainly three factors: rapidly expanding structural proteomics databases, high computational complexity of pairwise PSC algorithms, and the trend towards using multiple criteria for comparison and combining their results (MCPSC). In this thesis we have developed a software framework that exploits many-core and multi-core CPUs to implement efficient parallel MCPSC schemes in modern processors based on three popular PSC methods, namely, TMalign, CE, and USM. We evaluate and compare the performance and efficiency of two parallel MCPSC implementations using Intel’s experimental many-core Single-Chip Cloud Computer (SCC) CPU as well as Intel’s Core i7 multi-core processor. Further, we have developed a dataset processing pipeline and implemented it in a Python utility, called pyMCPSC, allowing users to perform MCPSC efficiently on multi-core CPU. pyMCPSC, which combines five PSC methods and five different consensus scoring schemes, facilitates the analysis of similarities in protein domain datasets and can be easily extended to incorporate more PSC methods in the consensus scoring as they are becoming available