A Benchmark Set of Highly-efficient CUDA and OpenCL Kernels and its Dynamic Autotuning with Kernel Tuning Toolkit

Autotuning of performance-relevant source-code parameters allows to automatically tune applications without hard coding optimizations and thus helps with keeping the performance portable. In this paper, we introduce a benchmark set of ten autotunable kernels for important computational problems implemented in OpenCL or CUDA. Using our Kernel Tuning Toolkit, we show that with autotuning most of the kernels reach near-peak performance on various GPUs and outperform baseline implementations on CPUs and Xeon Phis. Our evaluation also demonstrates that autotuning is key to performance portability. In addition to offline tuning, we also introduce dynamic autotuning of code optimization parameters during application runtime. With dynamic tuning, the Kernel Tuning Toolkit enables applications to re-tune performance-critical kernels at runtime whenever needed, for example, when input data changes. Although it is generally believed that autotuning spaces tend to be too large to be searched during application runtime, we show that it is not necessarily the case when tuning spaces are designed rationally. Many of our kernels reach near peak-performance with moderately sized tuning spaces that can be searched at runtime with acceptable overhead. Finally we demonstrate, how dynamic performance tuning can be integrated into a real-world application from cryo-electron microscopy domain

Benchmarking optimization algorithms for auto-tuning GPU kernels

Recent years have witnessed phenomenal growth in the application, and capabilities of Graphical Processing Units (GPUs) due to their high parallel computation power at relatively low cost. However, writing a computationally efficient GPU program (kernel) is challenging, and generally only certain specific kernel configurations lead to significant increases in performance. Auto-tuning is the process of automatically optimizing software for highly-efficient execution on a target hardware platform. Auto-tuning is particularly useful for GPU programming, as a single kernel requires re-tuning after code changes, for different input data, and for different architectures. However, the discrete, and non-convex nature of the search space creates a challenging optimization problem. In this work, we investigate which algorithm produces the fastest kernels if the time-budget for the tuning task is varied. We conduct a survey by performing experiments on 26 different kernel spaces, from 9 different GPUs, for 16 different evolutionary black-box optimization algorithms. We then analyze these results and introduce a novel metric based on the PageRank centrality concept as a tool for gaining insight into the difficulty of the optimization problem. We demonstrate that our metric correlates strongly with observed tuning performance.Comment: in IEEE Transactions on Evolutionary Computation, 202

Aceleración de algoritmos de procesamiento de imágenes para el análisis de partículas individuales con microscopia electrónica

Tesis Doctoral inédita cotutelada por la Masaryk University (República Checa) y la Universidad Autónoma de Madrid, Escuela Politécnica Superior, Departamento de Ingeniería Informática. Fecha de Lectura: 24-10-2022Cryogenic Electron Microscopy (Cryo-EM) is a vital field in current structural biology. Unlike X-ray crystallography and Nuclear Magnetic Resonance, it can be used to analyze membrane proteins and other samples with overlapping spectral peaks. However, one of the significant limitations of Cryo-EM is the computational complexity. Modern electron microscopes can produce terabytes of data per single session, from which hundreds of thousands of particles must be extracted and processed to obtain a near-atomic resolution of the original sample. Many existing software solutions use high-Performance Computing (HPC) techniques to bring these computations to the realm of practical usability. The common approach to acceleration is parallelization of the processing, but in praxis, we face many complications, such as problem decomposition, data distribution, load scheduling, balancing, and synchronization. Utilization of various accelerators further complicates the situation, as heterogeneous hardware brings additional caveats, for example, limited portability, under-utilization due to synchronization, and sub-optimal code performance due to missing specialization. This dissertation, structured as a compendium of articles, aims to improve the algorithms used in Cryo-EM, esp. the SPA (Single Particle Analysis). We focus on the single-node performance optimizations, using the techniques either available or developed in the HPC field, such as heterogeneous computing or autotuning, which potentially needs the formulation of novel algorithms. The secondary goal of the dissertation is to identify the limitations of state-of-the-art HPC techniques. Since the Cryo-EM pipeline consists of multiple distinct steps targetting different types of data, there is no single bottleneck to be solved. As such, the presented articles show a holistic approach to performance optimization. First, we give details on the GPU acceleration of the specific programs. The achieved speedup is due to the higher performance of the GPU, adjustments of the original algorithm to it, and application of the novel algorithms. More specifically, we provide implementation details of programs for movie alignment, 2D classification, and 3D reconstruction that have been sped up by order of magnitude compared to their original multi-CPU implementation or sufficiently the be used on-the-fly. In addition to these three programs, multiple other programs from an actively used, open-source software package XMIPP have been accelerated and improved. Second, we discuss our contribution to HPC in the form of autotuning. Autotuning is the ability of software to adapt to a changing environment, i.e., input or executing hardware. Towards that goal, we present cuFFTAdvisor, a tool that proposes and, through autotuning, finds the best configuration of the cuFFT library for given constraints of input size and plan settings. We also introduce a benchmark set of ten autotunable kernels for important computational problems implemented in OpenCL or CUDA, together with the introduction of complex dynamic autotuning to the KTT tool. Third, we propose an image processing framework Umpalumpa, which combines a task-based runtime system, data-centric architecture, and dynamic autotuning. The proposed framework allows for writing complex workflows which automatically use available HW resources and adjust to different HW and data but at the same time are easy to maintainThe project that gave rise to these results received the support of a fellowship from the “la Caixa” Foundation (ID 100010434). The fellowship code is LCF/BQ/DI18/11660021. This project has received funding from the European Union’s Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie grant agreement No. 71367

FPGA-based high-performance neural network acceleration

In the last ten years, Artificial Intelligence through Deep Neural Networks (DNNs) has penetrated virtually every aspect of science, technology, and business. Advances are rapid with thousands of papers being published annually. Many types of DNNs have been and continue to be developed -- in this thesis, we address Convolutional Neural Networks (CNNs), Recurrent Neural Networks (RNNs), and Graph Neural Networks (GNNs) -- each with a different set of target applications and implementation challenges. The overall problem for all of these Neural Networks (NNs) is that their target applications generally pose stringent constraints on latency and throughput, but also have strict accuracy requirements. Much research has therefore gone into all aspects of improving NN quality and performance: algorithms, code optimization, acceleration with GPUs, and acceleration with hardware, both dedicated ASICs and off-the-shelf FPGAs. In this thesis, we concentrate on the last of these approaches. There have been many previous efforts in creating hardware to accelerate NNs. The problem designers face is that optimal NN models typically have significant irregularities, making them hardware unfriendly. One commonly used approach is to train NN models to follow regular computation and data patterns. This approach, however, can hurt the models' accuracy or lead to models with non-negligible redundancies. This dissertation takes a different approach. Instead of regularizing the model, we create architectures friendly to irregular models. Our thesis is that high-accuracy and high-performance NN inference and training can be achieved by creating a series of novel irregularity-aware architectures for Field-Programmable Gate Arrays (FPGAs). In four different studies on four different NN types, we find that this approach results in speedups of 2.1x to 3255x compared with carefully selected prior art; for inference, there is no change in accuracy. The bulk of this dissertation revolves around these studies, the various workload balancing techniques, and the resulting NN acceleration architectures. In particular, we propose four different architectures to handle, respectively, data structure level, operation level, bit level, and model level irregularities. At the data structure level, we propose AWB-GCN, which uses runtime workload rebalancing to handle Sparse Matrices Multiplications (SpMM) on extremely sparse and unbalanced input. With GNN inference as a case study, AWB-GCN achieves over 90% system efficiency, guarantees efficient off-chip memory access, and provides considerable speedups over CPUs (3255x), GPUs (80x), and a prior ASIC accelerator (5.1x). At the operation level, we propose O3BNN-R, which can detect redundant operations and prune them at run time. This works even for those that are highly data-dependent and unpredictable. With Binarized NNs (BNNs) as a case study, O3BNN-R can prune over 30% of the operations, without any accuracy loss, yielding speedups over state-of-the-art implementations on CPUs (1122x), GPUs (2.3x), and FPGAs (2.1x). At the bit level, we propose CQNN. CQNN embeds a Coarse-Grained Reconfigurable Architecture (CGRA) which can be programmed at runtime to support NN functions with various data-width requirements. Results show that CQNN can deliver us-level Quantized NN (QNN) inference. At the model level, we propose FPDeep, especially for training. In order to address model-level irregularity, FPDeep uses a novel model partitioning schemes to balance workload and storage among nodes. By using a hybrid of model and layer parallelism to train DNNs, FPDeep avoids the large gap that commonly occurs between training and testing accuracy due to the improper convergence to sharp minimizers (caused by large training batches). Results show that FPDeep provides scalable, fast, and accurate training and leads to 6.6x higher energy efficiency than GPUs

GPU Accelerated Approach to Numerical Linear Algebra and Matrix Analysis with CFD Applications

A GPU accelerated approach to numerical linear algebra and matrix analysis with CFD applications is presented. The works objectives are to (1) develop stable and efficient algorithms utilizing multiple NVIDIA GPUs with CUDA to accelerate common matrix computations, (2) optimize these algorithms through CPU/GPU memory allocation, GPU kernel development, CPU/GPU communication, data transfer and bandwidth control to (3) develop parallel CFD applications for Navier Stokes and Lattice Boltzmann analysis methods. Special consideration will be given to performing the linear algebra algorithms under certain matrix types (banded, dense, diagonal, sparse, symmetric and triangular). Benchmarks are performed for all analyses with baseline CPU times being determined to find speed-up factors and measure computational capability of the GPU accelerated algorithms. The GPU implemented algorithms used in this work along with the optimization techniques performed are measured against preexisting work and test matrices available in the NIST Matrix Market. CFD analysis looked to strengthen the assessment of this work by providing a direct engineering application to analysis that would benefit from matrix optimization techniques and accelerated algorithms. Overall, this work desired to develop optimization for selected linear algebra and matrix computations performed with modern GPU architectures and CUDA developer which were applied directly to mathematical and engineering applications through CFD analysis

A language and a system for program optimization

Hardware complexity has increased over time, and as architectures evolve and new ones are adopted, programs must often be altered by numerous optimizations to attain maximum computing power on each target environment. As a result, the code becomes unrecognizable over time, hard to maintain, and challenging to modify. Furthermore, as the code evolves, it is hard to keep the optimizations up to date. The need to develop and maintain separate versions of the application for each target platform is an immense undertaking, especially for the large and long-lived applications commonly found in the high-performance computing (HPC) community. This dissertation presents Locus, a new system, and a language for optimizing complex, long-lived applications for different platforms. We describe the requirements that we believe are necessary for making automatic performance tuning widely adopted. We present the design and implementation of a system that fulfills these requirements. It includes a domain-specific language that can represent complex collections of transformations, an interface to integrate external modules, and a database to manage platform-specific efficient code. The database allows the system’s users to access optimized code without having to install the code generation toolset. The Locus language allows the definition of a search space combined with the programming of optimization sequences separated from the application’s reference code. After all, we present an approach for performance portability. Our thesis is that we can ameliorate the difficulty of optimizing applications using a methodology based on optimization programming and automated empirical search. Our system automatically selects, generates, and executes candidate implementations to find the one with the best performance. We present examples to illustrate the power and simplicity of the language. The experimental evaluation shows that exploring the space of candidate implementations typically leads to better performing codes than those produced by conventional compiler optimizations that are based solely on heuristics. Locus was able to generate a matrix-matrix multiplication code that outperformed the IBM XLC internal hand-optimized version by 2× on the Power 9 processors. On Intel E5, Locus generates code with performance comparable to Intel MKL’s. We also improve performance relative to the reference implementation of up to 4× on stencil computations. Locus ability to integrate complex search spaces with optimization sequences can result in very complicated optimization programs. Locus compiler applies optimizations to remove from the optimization sequences unnecessary search statements making the exploration for faster implementations more accessible. We optimize matrix transpose, matrix-matrix multiplication, fast Fourier transform, symmetric eigenproblem, and sparse matrix-vector multiplication through divide and conquer. We implement three strategies using the Locus language to create search spaces to find the best shapes of the base case and the best ways of subdividing the problem. The search space representation for the divide-and-conquer strategy uses a combination of recursion and OR blocks. The Locus compiler automatically expands the recursion and ensures that the search space is correctly represented. The results showed that the empirical search was important to improve performance by generating faster base cases and finding the best splitting. We also use Locus to optimize large, complex applications. We match the performance of hand-optimized kernels of the Kripke transport code for different input data layouts. The Plascom2 multi-physics application is optimized to find the best way to use a multi-core CPU and GPU. The use of Tangram, Hydra, and OpenMP provided an interesting search space that improved performance by approximately 4.3× on ZAXPY and ZXDOTY kernels. Lastly, in a similar fashion to how a compiler works, we applied a search space representing a collection of optimization sequences to 856 loops extracted from 16 benchmarks that resulted in good performance improvements

Doctor of Philosophy in Computer Science

dissertationStencil computations are operations on structured grids. They are frequently found in partial differential equation solvers, making their performance critical to a range of scientific applications. On modern architectures where data movement costs dominate computation, optimizing stencil computations is a challenging task. Typically, domain scientists must reduce and orchestrate data movement to tackle the memory bandwidth and latency bottlenecks. Furthermore, optimized code must map efficiently to ever increasing parallelism on a chip. This dissertation studies several stencils with varying arithmetic intensities, thus requiring contrasting optimization strategies. Stencils traditionally have low arithmetic intensity, making their performance limited by memory bandwidth. Contemporary higher-order stencils are designed to require smaller grids, hence less memory, but are bound by increased floating-point operations. This dissertation develops communication-avoiding optimizations to reduce data movement in memory-bound stencils. For higher-order stencils, a novel transformation, partial sums, is designed to reduce the number of floating-point operations and improve register reuse. These optimizations are implemented in a compiler framework, which is further extended to generate parallel code targeting multicores and graphics processor units (GPUs). The augmented compiler framework is then combined with autotuning to productively address stencil optimization challenges. Autotuning explores a search space of possible implementations of a computation to find the optimal code for an execution context. In this dissertation, autotuning is used to compose sequences of optimizations to drive the augmented compiler framework. This compiler-directed autotuning approach is used to optimize stencils in the context of a linear solver, Geometric Multigrid (GMG). GMG uses sequences of stencil computations, and presents greater optimization challenges than isolated stencils, as interactions between stencils must also be considered. The efficacy of our approach is demonstrated by comparing the performance of generated code against manually tuned code, over commercial compiler-generated code, and against analytic performance bounds. Generated code outperforms manually optimized codes on multicores and GPUs. Against Intel's compiler on multicores, generated code achieves up to 4x speedup for stencils, and 3x for the solver. On GPUs, generated code achieves 80% of an analytically computed performance bound

Mixed-Precision Numerical Linear Algebra Algorithms: Integer Arithmetic Based LU Factorization and Iterative Refinement for Hermitian Eigenvalue Problem

Mixed-precision algorithms are a class of algorithms that uses low precision in part of the algorithm in order to save time and energy with less accurate computation and communication. These algorithms usually utilize iterative refinement processes to improve the approximate solution obtained from low precision to the accuracy we desire from doing all the computation in high precision. Due to the demand of deep learning applications, there are hardware developments offering different low-precision formats including half precision (FP16), Bfloat16 and integer operations for quantized integers, which uses integers with a shared scalar to represent a set of equally spaced numbers. As new hardware architectures focus on bringing performance in these formats, the mixed-precision algorithms have more potential leverage on them and outmatch traditional fixed-precision algorithms. This dissertation consists of two articles. In the first article, we adapt one of the most fundamental algorithms in numerical linear algebra---LU factorization with partial pivoting--- to use integer arithmetic. With the goal of obtaining a low accuracy factorization as the preconditioner of generalized minimal residual (GMRES) to solve systems of linear equations, the LU factorization is adapted to use two different fixed-point formats for matrices L and U. A left-looking variant is also proposed for matrices with unbounded column growth. Finally, GMRES iterative refinement has shown that it can work on matrices with condition numbers up to 10000 with the algorithm that uses int16 as input and int32 accumulator for the update step. The second article targets symmetric and Hermitian eigenvalue problems. In this section we revisit the SICE algorithm from Dongarra et al. By applying the Sherman-Morrison formula on the diagonally-shifted tridiagonal systems, we propose an updated SICE-SM algorithm. By incorporating the latest two-stage algorithms from the PLASMA and MAGMA software libraries for numerical linear algebra, we achieved up to 3.6x speedup using the mixed-precision eigensolver with the blocked SICE-SM algorithm for iterative refinement when compared with full double complex precision solvers for the cases with a portion of eigenvalues and eigenvectors requested

Density-Aware Linear Algebra in a Column-Oriented In-Memory Database System

Linear algebra operations appear in nearly every application in advanced analytics, machine learning, and of various science domains. Until today, many data analysts and scientists tend to use statistics software packages or hand-crafted solutions for their analysis. In the era of data deluge, however, the external statistics packages and custom analysis programs that often run on single-workstations are incapable to keep up with the vast increase in data volume and size. In particular, there is an increasing demand of scientists for large scale data manipulation, orchestration, and advanced data management capabilities. These are among the key features of a mature relational database management system (DBMS). With the rise of main memory database systems, it now has become feasible to also consider applications that built up on linear algebra. This thesis presents a deep integration of linear algebra functionality into an in-memory column-oriented database system. In particular, this work shows that it has become feasible to execute linear algebra queries on large data sets directly in a DBMS-integrated engine (LAPEG), without the need of transferring data and being restricted by hard disc latencies. From various application examples that are cited in this work, we deduce a number of requirements that are relevant for a database system that includes linear algebra functionality. Beside the deep integration of matrices and numerical algorithms, these include optimization of expressions, transparent matrix handling, scalability and data-parallelism, and data manipulation capabilities. These requirements are addressed by our linear algebra engine. In particular, the core contributions of this thesis are: firstly, we show that the columnar storage layer of an in-memory DBMS yields an easy adoption of efficient sparse matrix data types and algorithms. Furthermore, we show that the execution of linear algebra expressions significantly benefits from different techniques that are inspired from database technology. In a novel way, we implemented several of these optimization strategies in LAPEG’s optimizer (SpMachO), which uses an advanced density estimation method (SpProdest) to predict the matrix density of intermediate results. Moreover, we present an adaptive matrix data type AT Matrix to obviate the need of scientists for selecting appropriate matrix representations. The tiled substructure of AT Matrix is exploited by our matrix multiplication to saturate the different sockets of a multicore main-memory platform, reaching up to a speed-up of 6x compared to alternative approaches. Finally, a major part of this thesis is devoted to the topic of data manipulation; where we propose a matrix manipulation API and present different mutable matrix types to enable fast insertions and deletes. We finally conclude that our linear algebra engine is well-suited to process dynamic, large matrix workloads in an optimized way. In particular, the DBMS-integrated LAPEG is filling the linear algebra gap, and makes columnar in-memory DBMS attractive as efficient, scalable ad-hoc analysis platform for scientists