AUTOMATING DATA-LAYOUT DECISIONS IN DOMAIN-SPECIFIC LANGUAGES

A long-standing challenge in High-Performance Computing (HPC) is the simultaneous achievement of programmer productivity and hardware computational efficiency. The challenge has been exacerbated by the onset of multi- and many-core CPUs and accelerators. Only a few expert programmers have been able to hand-code domain-specific data transformations and vectorization schemes needed to extract the best possible performance on such architectures. In this research, we examined the possibility of automating these methods by developing a Domain-Specific Language (DSL) framework. Our DSL approach extends C++14 by embedding into it a high-level data-parallel array language, and by using a domain-specific compiler to compile to hybrid-parallel code. We also implemented an array index-space transformation algebra within this high-level array language to manipulate array data-layouts and data-distributions. The compiler introduces a novel method for SIMD auto-vectorization based on array data-layouts. Our new auto-vectorization technique is shown to outperform the default auto-vectorization strategy by up to 40% for stencil computations. The compiler also automates distributed data movement with overlapping of local compute with remote data movement using polyhedral integer set analysis. Along with these main innovations, we developed a new technique using C++ template metaprogramming for developing embedded DSLs using C++. We also proposed a domain-specific compiler intermediate representation that simplifies data flow analysis of abstract DSL constructs. We evaluated our framework by constructing a DSL for the HPC grand-challenge domain of lattice quantum chromodynamics. Our DSL yielded performance gains of up to twice the flop rate over existing production C code for selected kernels. This gain in performance was obtained while using less than one-tenth the lines of code. The performance of this DSL was also competitive with the best hand-optimized and hand-vectorized code, and is an order of magnitude better than existing production DSLs.Doctor of Philosoph

Toolflows for Mapping Convolutional Neural Networks on FPGAs: A Survey and Future Directions

In the past decade, Convolutional Neural Networks (CNNs) have demonstrated state-of-the-art performance in various Artificial Intelligence tasks. To accelerate the experimentation and development of CNNs, several software frameworks have been released, primarily targeting power-hungry CPUs and GPUs. In this context, reconfigurable hardware in the form of FPGAs constitutes a potential alternative platform that can be integrated in the existing deep learning ecosystem to provide a tunable balance between performance, power consumption and programmability. In this paper, a survey of the existing CNN-to-FPGA toolflows is presented, comprising a comparative study of their key characteristics which include the supported applications, architectural choices, design space exploration methods and achieved performance. Moreover, major challenges and objectives introduced by the latest trends in CNN algorithmic research are identified and presented. Finally, a uniform evaluation methodology is proposed, aiming at the comprehensive, complete and in-depth evaluation of CNN-to-FPGA toolflows.Comment: Accepted for publication at the ACM Computing Surveys (CSUR) journal, 201

A complete, multi-level conformational clustering of antibody complementarity-determining regions

Classification of antibody complementarity-determining region (CDR) conformations is an important step that drives antibody modelling and engineering, prediction from sequence, directed mutagenesis and induced-fit studies, and allows inferences on sequence-to-structure relations. Most of the previous work performed conformational clustering on a reduced set of structures or after application of various structure pre-filtering criteria. In this study, it was judged that a clustering of every available CDR conformation would produce a complete and redundant repertoire, increase the number of sequence examples and allow better decisions on structure validity in the future. In order to cope with the potential increase in data noise, a first-level statistical clustering was performed using structure superposition Root-Mean-Square Deviation (RMSD) as a distance-criterion, coupled with second- and third-level clustering that employed Ramachandran regions for a deeper qualitative classification. The classification of a total of 12,712 CDR conformations is thus presented, along with rich annotation and cluster descriptions, and the results are compared to previous major studies. The present repertoire has procured an improved image of our current CDR Knowledge-Base, with a novel nesting of conformational sensitivity and specificity that can serve as a systematic framework for improved prediction from sequence as well as a number of future studies that would aid in knowledge-based antibody engineering such as humanisation

A lightweight, flow-based toolkit for parallel and distributed bioinformatics pipelines

<p>Abstract</p> <p>Background</p> <p>Bioinformatic analyses typically proceed as chains of data-processing tasks. A pipeline, or 'workflow', is a well-defined protocol, with a specific structure defined by the topology of data-flow interdependencies, and a particular functionality arising from the data transformations applied at each step. In computer science, the dataflow programming (DFP) paradigm defines software systems constructed in this manner, as networks of message-passing components. Thus, bioinformatic workflows can be naturally mapped onto DFP concepts.</p> <p>Results</p> <p>To enable the flexible creation and execution of bioinformatics dataflows, we have written a modular framework for parallel pipelines in Python ('PaPy'). A PaPy workflow is created from re-usable components connected by data-pipes into a directed acyclic graph, which together define nested higher-order map functions. The successive functional transformations of input data are evaluated on flexibly pooled compute resources, either local or remote. Input items are processed in batches of adjustable size, all flowing one to tune the trade-off between parallelism and lazy-evaluation (memory consumption). An add-on module ('NuBio') facilitates the creation of bioinformatics workflows by providing domain specific data-containers (<it>e.g</it>., for biomolecular sequences, alignments, structures) and functionality (<it>e.g</it>., to parse/write standard file formats).</p> <p>Conclusions</p> <p>PaPy offers a modular framework for the creation and deployment of parallel and distributed data-processing workflows. Pipelines derive their functionality from user-written, data-coupled components, so PaPy also can be viewed as a lightweight toolkit for extensible, flow-based bioinformatics data-processing. The simplicity and flexibility of distributed PaPy pipelines may help users bridge the gap between traditional desktop/workstation and grid computing. PaPy is freely distributed as open-source Python code at <url>http://muralab.org/PaPy</url>, and includes extensive documentation and annotated usage examples.</p

Methodology for automated Petri Net model generation to support Reliability Modelling

As the complexity of engineering systems and processes increases, determining their optimal performance also becomes increasingly complex. There are various reliability methods available to model performance but generating the models can become a significant task that is cumbersome, error-prone and tedious. Hence, over the years, work has been undertaken into automatically generating reliability models in order to detect the most critical components and design errors at an early stage, supporting alternative designs. Earlier work lacks full automation resulting in semi-automated methods since they require user intervention to import system information to the algorithm, focus on specific domains and cannot accurately model systems or processes with control loops and dynamic features. This thesis develops a novel method that can generate reliability models for complex systems and processes, based on Petri Net models. The process has been fully automated with software developed that extracts the information required for the model from a topology diagram that describes the system or process considered and generates the corresponding mathematical and graphical representations of the Petri Net model. Such topology diagrams are used in industrial sectors, ranging from aerospace and automotive engineering to finance, defence, government, entertainment and telecommunications. Complex real-life scenarios are studied to demonstrate the application of the proposed method, followed by the verification, validation and simulation of the developed Petri Net models. Thus, the proposed method is seen to be a powerful tool to automatically obtain the PN modelling formalism from a topology diagram, commonly used in industry, by: - Handling and efficiently modelling systems and processes with a large number of components and activities respectively, dependent events and control loops. - Providing generic domain applicability. - Providing software independence by generating models readily understandable by the user without requiring further manipulation by any industrial software. Finally, the method documented in this thesis enables engineers to conduct reliability and performance analysis in a timely manner that ensures the results feed into the design process