An official website of the United States government
An inverted index is the basic data structure used in most current large-scale information retrieval systems. It can be modeled as a collection of sorted sequences of integers. Many compression techniques for inverted indexes have been studied in the past, with some of them reaching tremendous decompression speeds through the use of SIMD instructions available on modern CPUs. While there has been some work on query processing algorithms for Graphics Processing Units (GPUs), little of it has focused on how to efficiently access compressed index structures, and we see some potential for significant improvements in decompression speed. In this paper, we describe and implement two encoding schemes for index decompression on GPU architectures. Their format and decoding algorithm is adapted from existing CPU-based compression methods to exploit the execution model and memory hierarchy offered by GPUs. We show that our solutions, GPU-BP and GPU-VByte, achieve significant speedups over their already carefully optimized CPU counterparts.
more »
« less
ADEPT: a domain independent sequence alignment strategy for gpu architectures
Abstract Background Bioinformatic workflows frequently make use of automated genome assembly and protein clustering tools. At the core of most of these tools, a significant portion of execution time is spent in determining optimal local alignment between two sequences. This task is performed with the Smith-Waterman algorithm, which is a dynamic programming based method. With the advent of modern sequencing technologies and increasing size of both genome and protein databases, a need for faster Smith-Waterman implementations has emerged. Multiple SIMD strategies for the Smith-Waterman algorithm are available for CPUs. However, with the move of HPC facilities towards accelerator based architectures, a need for an efficient GPU accelerated strategy has emerged. Existing GPU based strategies have either been optimized for a specific type of characters (Nucleotides or Amino Acids) or for only a handful of application use-cases. Results In this paper, we present ADEPT, a new sequence alignment strategy for GPU architectures that is domain independent, supporting alignment of sequences from both genomes and proteins. Our proposed strategy uses GPU specific optimizations that do not rely on the nature of sequence. We demonstrate the feasibility of this strategy by implementing the Smith-Waterman algorithm and comparing it to similar CPU strategies as well as the fastest known GPU methods for each domain. ADEPT’s driver enables it to scale across multiple GPUs and allows easy integration into software pipelines which utilize large scale computational systems. We have shown that the ADEPT based Smith-Waterman algorithm demonstrates a peak performance of 360 GCUPS and 497 GCUPs for protein based and DNA based datasets respectively on a single GPU node (8 GPUs) of the Cori Supercomputer. Overall ADEPT shows 10x faster performance in a node-to-node comparison against a corresponding SIMD CPU implementation. Conclusions ADEPT demonstrates a performance that is either comparable or better than existing GPU strategies. We demonstrated the efficacy of ADEPT in supporting existing bionformatics software pipelines by integrating ADEPT in MetaHipMer a high-performance denovo metagenome assembler and PASTIS a high-performance protein similarity graph construction pipeline. Our results show 10% and 30% boost of performance in MetaHipMer and PASTIS respectively.
more »
« less
- Award ID(s):
- 1823034
- PAR ID:
- 10192458
- Date Published:
- Journal Name:
- BMC Bioinformatics
- Volume:
- 21
- Issue:
- 1
- ISSN:
- 1471-2105
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
More Like this
-
-
Alternating Least Square (ALS) is a classic algorithm to solve matrix factorization widely used in recommendation systems. Existing efforts focus on parallelizing ALS on multi-/many-core platforms to handle large datasets. Recently, an optimized ALS variant called eALS was proposed, and it yields significantly lower time complexity and higher recommending accuracy than ALS. However, it is challenging to parallelize eALS on modern parallel architectures (e.g., CPUs and GPUs) because: 1) eALS’ data dependence prevents it from fine-grained parallel execution, thus eALS cannot fully utilize GPU's massive parallelism, 2) the sparsity of input data causes poor data locality and unbalanced workload, and 3) its large memory usage cannot fit into GPU's limited on-device memory, particularly for real-world large datasets. This paper proposes an efficient CPU/GPU heterogeneous recommendation system based on fast eALS for the first time (called HEALS) that consists of a set of system optimizations. HEALS employs newly designed architecture-adaptive data formats to achieve load balance and good data locality on CPU and GPU. HEALS also presents a CPU/GPU collaboration model that can explore both task parallelism and data parallelism. HEALS also optimizes this collaboration model with data communication overlapping and dynamic workload partition between CPU and GPU. Moreover, HEALS is further enhanced by various parallel techniques (e.g., loop unrolling, vectorization, and GPU parallel reduction). Evaluation results show that HEALS outperforms other state-of-the-art baselines in both performance and recommendation quality. Particularly, HEALS achieves up to 5.75 x better performance than a state-of-the-art ALS GPU library. This work also demonstrates the possibility of conducting fast recommendations on large datasets with constrained (or relaxed) hardware resources, e.g, a single CPU/GPU node.more » « less
-
Abstract MotivationMultiple sequence alignments (MSAs) of homologous sequences contain information on structural and functional constraints and their evolutionary histories. Despite their importance for many downstream tasks, such as structure prediction, MSA generation is often treated as a separate pre-processing step, without any guidance from the application it will be used for. ResultsHere, we implement a smooth and differentiable version of the Smith–Waterman pairwise alignment algorithm that enables jointly learning an MSA and a downstream machine learning system in an end-to-end fashion. To demonstrate its utility, we introduce SMURF (Smooth Markov Unaligned Random Field), a new method that jointly learns an alignment and the parameters of a Markov Random Field for unsupervised contact prediction. We find that SMURF learns MSAs that mildly improve contact prediction on a diverse set of protein and RNA families. As a proof of concept, we demonstrate that by connecting our differentiable alignment module to AlphaFold2 and maximizing predicted confidence, we can learn MSAs that improve structure predictions over the initial MSAs. Interestingly, the alignments that improve AlphaFold predictions are self-inconsistent and can be viewed as adversarial. This work highlights the potential of differentiable dynamic programming to improve neural network pipelines that rely on an alignment and the potential dangers of optimizing predictions of protein sequences with methods that are not fully understood. Availability and implementationOur code and examples are available at: https://github.com/spetti/SMURF. Supplementary informationSupplementary data are available at Bioinformatics online.more » « less
-
Due to the recent announcement of the Frontier supercomputer, many scientific application developers are working to make their applications compatible with AMD (CPU-GPU) architectures, which means moving away from the traditional CPU and NVIDIA-GPU systems. Due to the current limitations of profiling tools for AMD GPUs, this shift leaves a void in how to measure application performance on AMD GPUs. In this article, we design an instruction roofline model for AMD GPUs using AMD’s ROCProfiler and a benchmarking tool, BabelStream (the HIP implementation), as a way to measure an application’s performance in instructions and memory transactions on new AMD hardware. Specifically, we create instruction roofline models for a case study scientific application, PIConGPU, an open source particle-in-cell simulations application used for plasma and laser-plasma physics on the NVIDIA V100, AMD Radeon Instinct MI60, and AMD Instinct MI100 GPUs. When looking at the performance of multiple kernels of interest in PIConGPU we find that although the AMD MI100 GPU achieves a similar, or better, execution time compared to the NVIDIA V100 GPU, profiling tool differences make comparing performance of these two architectures hard. When looking at execution time, GIPS, and instruction intensity, the AMD MI60 achieves the worst performance out of the three GPUs used in this work.more » « less
-
Graph convolutional networks (GCNs) are fundamental in various scientific applications, ranging from biomedical protein-protein interactions (PPI) to large-scale recommendation systems. An essential component for modeling graph structures in GCNs is sparse general matrix-matrix multiplication (SpGEMM). As the size of graph data continues to scale up, SpGEMMs are often conducted in an out-of-core fashion due to limited GPU memory space in resource-constrained systems. Albeit recent efforts that aim to alleviate the memory constraints of out-of-core SpGEMM through either GPU feature caching, hybrid CPU-GPU memory layout, or performing the computation in sparse format, current systems suffer from both high I/O latency and GPU under-utilization issues. In this paper, we first identify the problems of existing systems, where sparse format data alignment and memory allocation are the main performance bottlenecks, and propose AIRES, a novel algorithm-system co-design solution to accelerate out-of-core SpGEMM computation for GCNs. Specifically, from the algorithm angle, AIRES proposes to alleviate the data alignment issues on the block level for matrices in sparse formats and develops a tiling algorithm to facilitate row block-wise alignment. On the system level, AIRES employs a three-phase dynamic scheduling that features a dual-way data transfer strategy utilizing a tiered memory system: integrating GPU memory, GPU Direct Storage (GDS), and host memory to reduce I/O latency and improve throughput. Evaluations show that AIRES significantly outperforms the state-of-the-art methods, achieving up to 1.8× lower latency in real-world graph processing benchmarks.more » « less
- Free Publicly Accessible Full Text
-
Accepted Manuscript1.0
- Journal Article:
- https://doi.org/10.1186/s12859-020-03720-1
