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Abstract Background In Overlap-Layout-Consensus (OLC) based de novo assembly, all reads must be compared with every other read to find overlaps. This makes the process rather slow and limits the practicality of using de novo assembly methods at a large scale in the field. Darwin is a fast and accurate read overlapper that can be used for de novo assembly of state-of-the-art third generation long DNA reads. Darwin is designed to be hardware-friendly and can be accelerated on specialized computer system hardware to achieve higher performance. Results This work accelerates Darwin on GPUs. Using real Pacbio data, our GPU implementation on Tesla K40 has shown a speedup of 109x vs 8 CPU threads of an Intel Xeon machine and 24x vs 64 threads of IBM Power8 machine. The GPU implementation supports both linear and affine gap, scoring model. The results show that the GPU implementation can achieve the same high speedup for different scoring schemes. Conclusions The GPU implementation proposed in this work shows significant improvement in performance compared to the CPU version, thereby making it accessible for utilization as a practical read overlapper in a DNA assembly pipeline. Furthermore, our GPU acceleration can also be used for performing fast Smith-Waterman alignment between long DNA reads. GPU hardware has become commonly available in the field today, making the proposed acceleration accessible to a larger public. The implementation is available at https://github.com/Tongdongq/darwin-gpu .

This article presents the definition and implementation of a quantum computer architecture to enable creating a new computational device—a quantum computer as an accelerator. A key question addressed is what such a quantum computer is and how it relates to the classical processor that controls the entire execution process. In this article, we present explicitly the idea of a quantum accelerator that contains the full stack of the layers of an accelerator. Such a stack starts at the highest level describing the target application of the accelerator. The next layer abstracts the quantum logic outlining the algorithm that is to be executed on the quantum accelerator. In our case, the logic is expressed in the universal quantum-classical hybrid computation language developed in the group, called OpenQL, which visualized the quantum processor as a computational accelerator. The OpenQL compiler translates the program to a common assembly language, called cQASM, which can be executed on a quantum simulator. The cQASM represents the instruction set that can be executed by the microarchitecture implemented in the quantum accelerator. In a subsequent step, the compiler can convert the cQASM to generate the eQASM, which is executable on a particular experimental device incorporating the platform-specific parameters. This way, we are able to distinguish clearly the experimental research toward better qubits, and the industrial and societal applications that need to be developed and executed on a quantum device. The first case offers experimental physicists with a full-stack experimental platform using realistic qubits with decoherence and error-rates, whereas the second case offers perfect qubits to the quantum application developer, where there is neither decoherence nor error-rates. We conclude the article by explicitly presenting three examples of full-stack quantum accelerators, for an experimental superconducting processor, for quantum accelerated genome sequencing and for near-term generic optimization problems based on quantum heuristic approaches. The two later full-stack models are currently being actively researched in our group.

Following publication of the original article [1], the author requested changes to the figures 4, 7, 8, 9, 12 and 14 to align these with the text. The corrected figures are supplied below.

Abstract Background Due the computational complexity of sequence alignment algorithms, various accelerated solutions have been proposed to speedup this analysis. NVBIO is the only available GPU library that accelerates sequence alignment of high-throughput NGS data, but has limited performance. In this article we present GASAL2, a GPU library for aligning DNA and RNA sequences that outperforms existing CPU and GPU libraries. Results The GASAL2 library provides specialized, accelerated kernels for local, global and all types of semi-global alignment. Pairwise sequence alignment can be performed with and without traceback. GASAL2 outperforms the fastest CPU-optimized SIMD implementations such as SeqAn and Parasail, as well as NVIDIA’s own GPU-based library known as NVBIO. GASAL2 is unique in performing sequence packing on GPU, which is up to 750x faster than NVBIO. Overall on Geforce GTX 1080 Ti GPU, GASAL2 is up to 21x faster than Parasail on a dual socket hyper-threaded Intel Xeon system with 28 cores and up to 13x faster than NVBIO with a query length of up to 300 bases and 100 bases, respectively. GASAL2 alignment functions are asynchronous/non-blocking and allow full overlap of CPU and GPU execution. The paper shows how to use GASAL2 to accelerate BWA-MEM, speeding up the local alignment by 20x, which gives an overall application speedup of 1.3x vs. CPU with up to 12 threads. Conclusions The library provides high performance APIs for local, global and semi-global alignment that can be easily integrated into various bioinformatics tools.

Abstract Background Pairwise sequence alignment is widely used in many biological tools and applications. Existing GPU accelerated implementations mainly focus on calculating optimal alignment score and omit identifying the optimal alignment itself. In GATK HaplotypeCaller (HC), the semi-global pairwise sequence alignment with traceback has so far been difficult to accelerate effectively on GPUs. Results We first analyze the characteristics of the semi-global alignment with traceback in GATK HC and then propose a new algorithm that allows for retrieving the optimal alignment efficiently on GPUs. For the first stage, we choose intra-task parallelization model to calculate the position of the optimal alignment score and the backtracking matrix. Moreover, in the first stage, our GPU implementation also records the length of consecutive matches/mismatches in addition to lengths of consecutive insertions and deletions as in the CPU-based implementation. This helps efficiently retrieve the backtracking matrix to obtain the optimal alignment in the second stage. Conclusions Experimental results show that our alignment kernel with traceback is up to 80x and 14.14x faster than its CPU counterpart with synthetic datasets and real datasets, respectively. When integrated into GATK HC (alongside a GPU accelerated pair-HMMs forward kernel), the overall acceleration is 2.3x faster than the baseline GATK HC implementation, and 1.34x faster than the GATK HC implementation with the integrated GPU-based pair-HMMs forward algorithm. Although the methods proposed in this paper is to improve the performance of GATK HC, they can also be used in other pairwise alignments and applications.

In this article, we present QuASeR, a reference-free DNA sequence reconstruction implementation via de novo assembly on both gate-based and quantum annealing platforms. This is the first time this important application in bioinformatics is modeled using quantum computation. Each one of the four steps of the implementation (TSP, QUBO, Hamiltonians and QAOA) is explained with a proof-of-concept example to target both the genomics research community and quantum application developers in a self-contained manner. The implementation and results on executing the algorithm from a set of DNA reads to a reconstructed sequence, on a gate-based quantum simulator, the D-Wave quantum annealing simulator and hardware are detailed. We also highlight the limitations of current classical simulation and available quantum hardware systems. The implementation is open-source and can be found on https://github.com/QE-Lab/QuASeR.

Unitary decomposition is a widely used method to map quantum algorithms to an arbitrary set of quantum gates. Efficient implementation of this decomposition allows for the translation of bigger unitary gates into elementary quantum operations, which is key to executing these algorithms on existing quantum computers. The decomposition can be used as an aggressive optimization method for the whole circuit, as well as to test part of an algorithm on a quantum accelerator. For the selection and implementation of the decomposition algorithm, perfect qubits are assumed. We base our decomposition technique on Quantum Shannon Decomposition, which generates O(344n) controlled-not gates for an n-qubit input gate. In addition, we implement optimizations to take advantage of the potential underlying structure in the input or intermediate matrices, as well as to minimize the execution time of the decomposition. Comparing our implementation to Qubiter and the UniversalQCompiler (UQC), we show that our implementation generates circuits that are much shorter than those of Qubiter and not much longer than the UQC. At the same time, it is also up to 10 times as fast as Qubiter and about 500 times as fast as the UQC.

Inferring algorithmic structure in data is essential for discovering causal generative models. In this research, we present a quantum computing framework using the circuit model, for estimating algorithmic information metrics. The canonical computation model of the Turing machine is restricted in time and space resources, to make the target metrics computable under realistic assumptions. The universal prior distribution for the automata is obtained as a quantum superposition, which is further conditioned to estimate the metrics. Specific cases are explored where the quantum implementation offers polynomial advantage, in contrast to the exhaustive enumeration needed in the corresponding classical case. The unstructured output data and the computational irreducibility of Turing machines make this algorithm impossible to approximate using heuristics. Thus, exploring the space of program-output relations is one of the most promising problems for demonstrating quantum supremacy using Grover search that cannot be dequantized. Experimental use cases for quantum acceleration are developed for self-replicating programs and algorithmic complexity of short strings. With quantum computing hardware rapidly attaining technological maturity, we discuss how this framework will have significant advantage for various genomics applications in meta-biology, phylogenetic tree analysis, protein-protein interaction mapping and synthetic biology. This is the first time experimental algorithmic information theory is implemented using quantum computation. Our implementation on the Qiskit quantum programming platform is copy-left and is publicly available on GitHub.

GATK HaplotypeCaller (HC) is a popular variant caller, which is widely used to identify variants in complex genomes. However, due to its high variants detection accuracy, it suffers from long execution time. In GATK HC, the pair-HMMs forward algorithm accounts for a large percentage of the total execution time. This article proposes to accelerate the pair-HMMs forward algorithm on graphics processing units (GPUs) to improve the performance of GATK HC. This article presents several GPU-based implementations of the pair-HMMs forward algorithm. It also analyzes the performance bottlenecks of the implementations on an NVIDIA Tesla K40 card with various data sets. Based on these results and the characteristics of GATK HC, we are able to identify the GPU-based implementations with the highest performance for the various analyzed data sets. Experimental results show that the GPU-based implementations of the pair-HMMs forward algorithm achieve a speedup of up to 5.47× over existing GPU-based implementations.

The large-scale execution of quantum algorithms requires basic quantum operations to be implemented fault-tolerantly. The most popular technique for accomplishing this, using the devices that can be realized in the near term, uses stabilizer codes which can be embedded in a planar layout. The set of fault-tolerant operations which can be executed in these systems using unitary gates is typically very limited. This has driven the development of measurement-based schemes for performing logical operations in these codes, known as lattice surgery and code deformation. In parallel, gauge fixing has emerged as a measurement-based method for performing universal gate sets in subsystem stabilizer codes. In this work, we show that lattice surgery and code deformation can be expressed as special cases of gauge fixing, permitting a simple and rigorous test for fault-tolerance together with simple guiding principles for the implementation of these operations. We demonstrate the accuracy of this method numerically with examples based on the surface code, some of which are novel.

Performing runtime evaluation together with design time exploration enables a system to be more efficient in terms of various design constraints, such as performance, chip area, and power consumption. rSesame is a generic modeling and simulation framework, which can explore and evaluate reconfigurable systems at both design time and runtime. In this paper, we use the rSesame framework to perform a thorough evaluation (at design time and at runtime) of various task mapping heuristics from the state of the art. An extended Motion-JPEG (MJPEG) application is mapped, using the different heuristics, on a reconfigurable architecture, where different Field Programmable Gate Array (FPGA) resources and various nonfunctional design parameters, such as the execution time, the number of reconfigurations, the area usage, reusability efficiency, and other parameters, are taken into consideration. The experimental results suggest that such an extensive evaluation can provide a useful insight both into the characteristics of the reconfigurable architecture and on the efficiency of the task mapping.