skip to main content

Title: 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 more » 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. « less
Authors:
; ; ; ; ; ;
Award ID(s):
1823034
Publication Date:
NSF-PAR ID:
10192458
Journal Name:
BMC Bioinformatics
Volume:
21
Issue:
1
ISSN:
1471-2105
Sponsoring Org:
National Science Foundation
More Like this
  1. 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.
  2. 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 ismore »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.« less
  3. Pairwise sequence alignment is one of the most computationally intensive kernels in genomic data analysis, accounting for more than 90% of the runtime for key bioinformatics applications. This method is particularly expensive for third generation sequences due to the high computational cost of analyzing sequences of length between 1Kb and 1Mb. Given the quadratic overhead of exact pairwise algorithms for long alignments, the community primarily relies on approximate algorithms that search only for high-quality alignments and stop early when one is not found. In this work, we present the first GPU optimization of the popular X-drop alignment algorithm, that we named LOGAN. Results show that our high performance multi-GPU implementation achieves up to 181.6 GCUPS and speed-ups up to 6.6 and 30.7 using 1 and 6 NVIDIA Tesla V100, respectively, over the state-of-the-art software running on two IBM Power9 processors using 168 CPU threads, with equivalent accuracy. We also demonstrate a 2.3 LOGAN speed-up versus ksw2, a state-of-art vectorized algorithm for sequence alignment implemented in minimap2, a long-read mapping software. To highlight the impact of our work on a real-world application, we couple LOGAN with a many-to-many long-read alignment software called BELLA, and demonstrate that our implementation improves the overallmore »BELLA runtime by up to 10.6. Finally, we adapt the Roofline model for LOGAN and demonstrate that our implementation is near optimal on the NVIDIA Tesla V100s.« less
  4. Aligning DNA sequences to an annotated reference is a key step for genotyping in biology. Recent scientific studies have demonstrated improved inference by aligning reads to a variation graph, i.e., a reference sequence augmented with known genetic variations. Given a variation graph in the form of a directed acyclic string graph, the sequence to graph alignment problem seeks to find the best matching path in the graph for an input query sequence. Solving this problem exactly using a sequential dynamic programming algorithm takes quadratic time in terms of the graph size and query length, making it difficult to scale to high throughput DNA sequencing data. In this work, we propose the first parallel algorithm for computing sequence to graph alignments that leverages multiple cores and single-instruction multiple-data (SIMD) operations. We take advantage of the available inter-task parallelism, and provide a novel blocked approach to compute the score matrix while ensuring high memory locality. Using a 48-core Intel Xeon Skylake processor, the proposed algorithm achieves peak performance of 317 billion cell updates per second (GCUPS), and demonstrates near linear weak and strong scaling on up to 48 cores. It delivers significant performance gains compared to existing algorithms, and results in run-timemore »reduction from multiple days to three hours for the problem of optimally aligning high coverage long (PacBio/ONT) or short (Illumina) DNA reads to an MHC human variation graph containing 10 million vertices.« less
  5. Doglioni, C. ; Kim, D. ; Stewart, G.A. ; Silvestris, L. ; Jackson, P. ; Kamleh, W. (Ed.)
    One of the most computationally challenging problems expected for the High-Luminosity Large Hadron Collider (HL-LHC) is finding and fitting particle tracks during event reconstruction. Algorithms used at the LHC today rely on Kalman filtering, which builds physical trajectories incrementally while incorporating material effects and error estimation. Recognizing the need for faster computational throughput, we have adapted Kalman-filterbased methods for highly parallel, many-core SIMD and SIMT architectures that are now prevalent in high-performance hardware. Previously we observed significant parallel speedups, with physics performance comparable to CMS standard tracking, on Intel Xeon, Intel Xeon Phi, and (to a limited extent) NVIDIA GPUs. While early tests were based on artificial events occurring inside an idealized barrel detector, we showed subsequently that our mkFit software builds tracks successfully from complex simulated events (including detector pileup) occurring inside a geometrically accurate representation of the CMS-2017 tracker. Here, we report on advances in both the computational and physics performance of mkFit, as well as progress toward integration with CMS production software. Recently we have improved the overall efficiency of the algorithm by preserving short track candidates at a relatively early stage rather than attempting to extend them over many layers. Moreover, mkFit formerly produced an excessmore »of duplicate tracks; these are now explicitly removed in an additional processing step. We demonstrate that with these enhancements, mkFit becomes a suitable choice for the first iteration of CMS tracking, and eventually for later iterations as well. We plan to test this capability in the CMS High Level Trigger during Run 3 of the LHC, with an ultimate goal of using it in both the CMS HLT and offline reconstruction for the HL-LHC CMS tracker.« less