Efficient Machine Learning Approach for Optimizing Scientific Computing Applications on Emerging HPC Architectures

Efficient parallel implementations of scientific applications on multi-core CPUs with accelerators such as GPUs and Xeon Phis is challenging. This requires - exploiting the data parallel architecture of the accelerator along with the vector pipelines of modern x86 CPU architectures, load balancing, and efficient memory transfer between different devices. It is relatively easy to meet these requirements for highly-structured scientific applications. In contrast, a number of scientific and engineering applications are unstructured. Getting performance on accelerators for these applications is extremely challenging because many of these applications employ irregular algorithms which exhibit data-dependent control-flow and irregular memory accesses. Furthermore, these applications are often iterative with dependency between steps, and thus making it hard to parallelize across steps. As a result, parallelism in these applications is often limited to a single step. Numerical simulation of charged particles beam dynamics is one such application where the distribution of work and memory access pattern at each time step is irregular. Applications with these properties tend to present significant branch and memory divergence, load imbalance between different processor cores, and poor compute and memory utilization. Prior research on parallelizing such irregular applications have been focused around optimizing the irregular, data-dependent memory accesses and control-flow during a single step of the application independent of the other steps, with the assumption that these patterns are completely unpredictable. We observed that the structure of computation leading to control-flow divergence and irregular memory accesses in one step is similar to that in the next step. It is possible to predict this structure in the current step by observing the computation structure of previous steps. In this dissertation, we present novel machine learning based optimization techniques to address the parallel implementation challenges of such irregular applications on different HPC architectures. In particular, we use supervised learning to predict the computation structure and use it to address the control-flow and memory access irregularities in the parallel implementation of such applications on GPUs, Xeon Phis, and heterogeneous architectures composed of multi-core CPUs with GPUs or Xeon Phis. We use numerical simulation of charged particles beam dynamics simulation as a motivating example throughout the dissertation to present our new approach, though they should be equally applicable to a wide range of irregular applications. The machine learning approach presented here use predictive analytics and forecasting techniques to adaptively model and track the irregular memory access pattern at each time step of the simulation to anticipate the future memory access pattern. Access pattern forecasts can then be used to formulate optimization decisions during application execution which improves the performance of the application at a future time step based on the observations from earlier time steps. In heterogeneous architectures, forecasts can also be used to improve the memory performance and resource utilization of all the processing units to deliver a good aggregate performance. We used these optimization techniques and anticipation strategy to design a cache-aware, memory efficient parallel algorithm to address the irregularities in the parallel implementation of charged particles beam dynamics simulation on different HPC architectures. Experimental result using a diverse mix of HPC architectures shows that our approach in using anticipation strategy is effective in maximizing data reuse, ensuring workload balance, minimizing branch and memory divergence, and in improving resource utilization

Doctor of Philosophy

dissertationStochastic methods, dense free-form mapping, atlas construction, and total variation are examples of advanced image processing techniques which are robust but computationally demanding. These algorithms often require a large amount of computational power as well as massive memory bandwidth. These requirements used to be ful lled only by supercomputers. The development of heterogeneous parallel subsystems and computation-specialized devices such as Graphic Processing Units (GPUs) has brought the requisite power to commodity hardware, opening up opportunities for scientists to experiment and evaluate the in uence of these techniques on their research and practical applications. However, harnessing the processing power from modern hardware is challenging. The di fferences between multicore parallel processing systems and conventional models are signi ficant, often requiring algorithms and data structures to be redesigned signi ficantly for efficiency. It also demands in-depth knowledge about modern hardware architectures to optimize these implementations, sometimes on a per-architecture basis. The goal of this dissertation is to introduce a solution for this problem based on a 3D image processing framework, using high performance APIs at the core level to utilize parallel processing power of the GPUs. The design of the framework facilitates an efficient application development process, which does not require scientists to have extensive knowledge about GPU systems, and encourages them to harness this power to solve their computationally challenging problems. To present the development of this framework, four main problems are described, and the solutions are discussed and evaluated: (1) essential components of a general 3D image processing library: data structures and algorithms, as well as how to implement these building blocks on the GPU architecture for optimal performance; (2) an implementation of unbiased atlas construction algorithms|an illustration of how to solve a highly complex and computationally expensive algorithm using this framework; (3) an extension of the framework to account for geometry descriptors to solve registration challenges with large scale shape changes and high intensity-contrast di fferences; and (4) an out-of-core streaming model, which enables developers to implement multi-image processing techniques on commodity hardware

Accelerating the Performance of a Novel Meshless Method Based on Collocation With Radial Basis Functions By Employing a Graphical Processing Unit as a Parallel Coprocessor

In recent times, a variety of industries, applications and numerical methods including the meshless method have enjoyed a great deal of success by utilizing the graphical processing unit (GPU) as a parallel coprocessor. These benefits often include performance improvement over the previous implementations. Furthermore, applications running on graphics processors enjoy superior performance per dollar and performance per watt than implementations built exclusively on traditional central processing technologies. The GPU was originally designed for graphics acceleration but the modern GPU, known as the General Purpose Graphical Processing Unit (GPGPU) can be used for scientific and engineering calculations. The GPGPU consists of massively parallel array of integer and floating point processors. There are typically hundreds of processors per graphics card with dedicated high-speed memory. This work describes an application written by the author, titled GaussianRBF to show the implementation and results of a novel meshless method that in-cooperates the collocation of the Gaussian radial basis function by utilizing the GPU as a parallel co-processor. Key phases of the proposed meshless method have been executed on the GPU using the NVIDIA CUDA software development kit. Especially, the matrix fill and solution phases have been carried out on the GPU, along with some post processing. This approach resulted in a decreased processing time compared to similar algorithm implemented on the CPU while maintaining the same accuracy

Generic Techniques in General Purpose GPU Programming with Applications to Ant Colony and Image Processing Algorithms

In 2006 NVIDIA introduced a new unified GPU architecture facilitating general-purpose computation on the GPU. The following year NVIDIA introduced CUDA, a parallel programming architecture for developing general purpose applications for direct execution on the new unified GPU. CUDA exposes the GPU's massively parallel architecture of the GPU so that parallel code can be written to execute much faster than its sequential counterpart. Although CUDA abstracts the underlying architecture, fully utilising and scheduling the GPU is non-trivial and has given rise to a new active area of research. Due to the inherent complexities pertaining to GPU development, in this thesis we explore and find efficient parallel mappings of existing and new parallel algorithms on the GPU using NVIDIA CUDA. We place particular emphasis on metaheuristics, image processing and designing reusable techniques and mappings that can be applied to other problems and domains. We begin by focusing on Ant Colony Optimisation (ACO), a nature inspired heuristic approach for solving optimisation problems. We present a versatile improved data-parallel approach for solving the Travelling Salesman Problem using ACO resulting in significant speedups. By extending our initial work, we show how existing mappings of ACO on the GPU are unable to compete against their sequential counterpart when common CPU optimisation strategies are employed and detail three distinct candidate set parallelisation strategies for execution on the GPU. By further extending our data-parallel approach we present the first implementation of an ACO-based edge detection algorithm on the GPU to reduce the execution time and improve the viability of ACO-based edge detection. We finish by presenting a new color edge detection technique using the volume of a pixel in the HSI color space along with a parallel GPU implementation that is able to withstand greater levels of noise than existing algorithms

Enhancing a Neurosurgical Imaging System with a PC-based Video Processing Solution

This work presents a PC-based prototype video processing application developed to be used with a specific neurosurgical imaging device, the OPMI® PenteroTM operating microscope, in the Department of Neurosurgery of Helsinki University Central Hospital at Töölö, Helsinki. The motivation for implementing the software was the lack of some clinically important features in the imaging system provided by the microscope. The imaging system is used as an online diagnostic aid during surgery. The microscope has two internal video cameras; one for regular white light imaging and one for near-infrared fluorescence imaging, used for indocyanine green videoangiography. The footage of the microscope’s current imaging mode is accessed via the composite auxiliary output of the device. The microscope also has an external high resolution white light video camera, accessed via a composite output of a separate video hub. The PC was chosen as the video processing platform for its unparalleled combination of prototyping and high-throughput video processing capabilities. A thorough analysis of the platform and efficient video processing methods was conducted in the thesis and the results were used in the design of the imaging station. The features found feasible during the project were incorporated into a video processing application running on a GNU/Linux distribution Ubuntu. The clinical usefulness of the implemented features was ensured beforehand by consulting the neurosurgeons using the original system. The most significant shortcomings of the original imaging system were mended in this work. The key features of the developed application include: live streaming, simultaneous streaming and recording, and playing back of upto two video streams. The playback mode provides full media player controls, with a frame-by-frame precision rewinding, in an intuitive and responsive interface. A single view and a side-by-side comparison mode are provided for the streams. The former gives more detail, while the latter can be used, for example, for before-after and anatomic-angiographic comparisons.fi=Opinnäytetyö kokotekstinä PDF-muodossa.|en=Thesis fulltext in PDF format.|sv=Lärdomsprov tillgängligt som fulltext i PDF-format

High-Level GPU Programming: Domain-Specific Optimization and Inference

When writing computer software one is often forced to balance the need for high run-time performance with high programmer productivity. By using a high-level language it is often possible to cut development times, but this typically comes at the cost of reduced run-time performance. Using a lower-level language, programs can be made very efficient but at the cost of increased development time. Real-time computer graphics is an area where there are very high demands on both performance and visual quality. Typically, large portions of such applications are written in lower-level languages and also rely on dedicated hardware, in the form of programmable graphics processing units (GPUs), for handling computationally demanding rendering algorithms. These GPUs are parallel stream processors, specialized towards computer graphics, that have computational performance more than a magnitude higher than corresponding CPUs. This has revolutionized computer graphics and also led to GPUs being used to solve more general numerical problems, such as fluid and physics simulation, protein folding, image processing, and databases. Unfortunately, the highly specialized nature of GPUs has also made them difficult to program. In this dissertation we show that GPUs can be programmed at a higher level, while maintaining performance, compared to current lower-level languages. By constructing a domain-specific language (DSL), which provides appropriate domain-specific abstractions and user-annotations, it is possible to write programs in a more abstract and modular manner. Using knowledge of the domain it is possible for the DSL compiler to generate very efficient code. We show that, by experiment, the performance of our DSLs is equal to that of GPU programs written by hand using current low-level languages. Also, control over the trade-offs between visual quality and performance is retained. In the papers included in this dissertation, we present domain-specific languages targeted at numerical processing and computer graphics, respectively. These DSL have been implemented as embedded languages in Python, a dynamic programming language that provide a rich set of high-level features. In this dissertation we show how these features can be used to facilitate the construction of embedded languages

High-Performance Modelling and Simulation for Big Data Applications

This open access book was prepared as a Final Publication of the COST Action IC1406 “High-Performance Modelling and Simulation for Big Data Applications (cHiPSet)“ project. Long considered important pillars of the scientific method, Modelling and Simulation have evolved from traditional discrete numerical methods to complex data-intensive continuous analytical optimisations. Resolution, scale, and accuracy have become essential to predict and analyse natural and complex systems in science and engineering. When their level of abstraction raises to have a better discernment of the domain at hand, their representation gets increasingly demanding for computational and data resources. On the other hand, High Performance Computing typically entails the effective use of parallel and distributed processing units coupled with efficient storage, communication and visualisation systems to underpin complex data-intensive applications in distinct scientific and technical domains. It is then arguably required to have a seamless interaction of High Performance Computing with Modelling and Simulation in order to store, compute, analyse, and visualise large data sets in science and engineering. Funded by the European Commission, cHiPSet has provided a dynamic trans-European forum for their members and distinguished guests to openly discuss novel perspectives and topics of interests for these two communities. This cHiPSet compendium presents a set of selected case studies related to healthcare, biological data, computational advertising, multimedia, finance, bioinformatics, and telecommunications

Online Modeling and Tuning of Parallel Stream Processing Systems

Writing performant computer programs is hard. Code for high performance applications is profiled, tweaked, and re-factored for months specifically for the hardware for which it is to run. Consumer application code doesn\u27t get the benefit of endless massaging that benefits high performance code, even though heterogeneous processor environments are beginning to resemble those in more performance oriented arenas. This thesis offers a path to performant, parallel code (through stream processing) which is tuned online and automatically adapts to the environment it is given. This approach has the potential to reduce the tuning costs associated with high performance code and brings the benefit of performance tuning to consumer applications where otherwise it would be cost prohibitive. This thesis introduces a stream processing library and multiple techniques to enable its online modeling and tuning. Stream processing (also termed data-flow programming) is a compute paradigm that views an application as a set of logical kernels connected via communications links or streams. Stream processing is increasingly used by computational-x and x-informatics fields (e.g., biology, astrophysics) where the focus is on safe and fast parallelization of specific big-data applications. A major advantage of stream processing is that it enables parallelization without necessitating manual end-user management of non-deterministic behavior often characteristic of more traditional parallel processing methods. Many big-data and high performance applications involve high throughput processing, necessitating usage of many parallel compute kernels on several compute cores. Optimizing the orchestration of kernels has been the focus of much theoretical and empirical modeling work. Purely theoretical parallel programming models can fail when the assumptions implicit within the model are mis-matched with reality (i.e., the model is incorrectly applied). Often it is unclear if the assumptions are actually being met, even when verified under controlled conditions. Full empirical optimization solves this problem by extensively searching the range of likely configurations under native operating conditions. This, however, is expensive in both time and energy. For large, massively parallel systems, even deciding which modeling paradigm to use is often prohibitively expensive and unfortunately transient (with workload and hardware). In an ideal world, a parallel run-time will re-optimize an application continuously to match its environment, with little additional overhead. This work presents methods aimed at doing just that through low overhead instrumentation, modeling, and optimization. Online optimization provides a good trade-off between static optimization and online heuristics. To enable online optimization, modeling decisions must be fast and relatively accurate. Online modeling and optimization of a stream processing system first requires the existence of a stream processing framework that is amenable to the intended type of dynamic manipulation. To fill this void, we developed the RaftLib C++ template library, which enables usage of the stream processing paradigm for C++ applications (it is the run-time which is the basis of almost all the work within this dissertation). An application topology is specified by the user, however almost everything else is optimizable by the run-time. RaftLib takes advantage of the knowledge gained during the design of several prior streaming languages (notably Auto-Pipe). The resultant framework enables online migration of tasks, auto-parallelization, online buffer-reallocation, and other useful dynamic behaviors that were not available in many previous stream processing systems. Several benchmark applications have been designed to assess the performance gains through our approaches and compare performance to other leading stream processing frameworks. Information is essential to any modeling task, to that end a low-overhead instrumentation framework has been developed which is both dynamic and adaptive. Discovering a fast and relatively optimal configuration for a stream processing application often necessitates solving for buffer sizes within a finite capacity queueing network. We show that a generalized gain/loss network flow model can bootstrap the process under certain conditions. Any modeling effort, requires that a model be selected; often a highly manual task, involving many expensive operations. This dissertation demonstrates that machine learning methods (such as a support vector machine) can successfully select models at run-time for a streaming application. The full set of approaches are incorporated into the open source RaftLib framework