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International Conference for High Performance Computing, Networking, Storage and Analysis (SC)

SW_Qsim

Fang Li, Xin Liu, Yong Liu, Pengpeng Zhao, Yuling Yang, Honghui Shang, Weizhe Sun, Zhen Wang, Enming Dong, Dexun Chen

Published Oct 21, 2021• 12 citations
Publisher

Abstract

Classical simulation of quantum computation plays a critical role in numerical studies of quantum algorithms and the validation of quantum devices. Here, we introduce SW_Qsim, a tensor-network-based quantum simulator, which is designed with a two-level parallel structure for efficient implementation on the many-core New Sunway Supercomputer. We propose a minimize-memory contraction path algorithm for rectangular quantum grids to reduce the memory overhead, and provide the memory-limited simulation capacity of SW26010pro. Moreover, tensor operations are carefully optimized on the SW processor to achieve high performance. We design a fault tolerance mechanism to improve the extreme-scale parallel stability. We benchmark SW_Qsim's simulation of RQCs up to 400-qubits, achieving near-linear strong and weak scaling with up to 28.75 million cores, far beyond the previous state of the art. Our work sheds light on the development of efficient quantum algorithms for use in the physical, chemical, and engineering science fields.

DOI
10.1145/3458817.3476161

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Classical simulation of quantum computation plays a critical role in numerical studies of quantum algorithms and the validation of quantum devices. Here, we introduce SW_Qsim, a tensor-network-based quantum simulator, which is designed with a two-level parallel structure for efficient implementation on the many-core New Sunway Supercomputer. We propose a minimize-memory contraction path algorithm for rectangular quantum grids to reduce the memory overhead, and provide the memory-limited simulation capacity of SW26010pro. Moreover, tensor operations are carefully optimized on the SW processor to achieve high performance. We design a fault tolerance mechanism to improve the extreme-scale parallel stability. We benchmark SW_Qsim's simulation of RQCs up to 400-qubits, achieving near-linear strong and weak scaling with up to 28.75 million cores, far beyond the previous state of the art. Our work sheds light on the development of efficient quantum algorithms for use in the physical, chemical, and engineering science fields.
We develop a high-performance tensor-based simulator for random quantum circuits(RQCs) on the new Sunway supercomputer. Our major innovations include: (1) a near-optimal slicing scheme, and a path-optimization strategy that considers both complexity and compute density; (2) a three-level parallelization scheme that scales to about 42 million cores; (3) a fused permutation and multiplication design that improves the compute efficiency for a wide range of tensor contraction scenarios; and (4) a mixed-precision scheme to further improve the performance. Our simulator effectively expands the scope of simulatable RQCs to include the 10X10(qubits)X(1+40+1)(depth) circuit, with a sustained performance of 1.2 Eflops (single-precision), or 4.4 Eflops (mixed-precision)as a new milestone for classical simulation of quantum circuits; and reduces the simulation sampling time of Google Sycamore to 304 seconds, from the previously claimed 10,000 years.
Classical simulation is essential in quantum algorithm development and quantum device verification. With the increasing complexity and diversity of quantum circuit structures, existing classical simulation algorithms need to be improved and extended. In this work, we propose novel strategies for tensor network contraction based simulator on Sunway architecture. Our approach addresses three main aspects: complexity, computational paradigms and fine-grained optimization. Data reuse schemes are designed to reduce floating-point operations, and memory organization techniques are employed to eliminate slicing overhead while maintaining parallelism. Step fusion strategy is extended by multi-core cooperation to improve the data locality and computation intensity. Fine-grained optimizations, such as in-kernel vectorized permutations, and split-K operators, are developed as well to address the challenges in new hotspot distribution and topological structure. These innovations can accelerate the simulation of the Zuchongzhi-60-24 by more than 10 times, using more than 1024 Sunway nodes (399,360 cores). Our work demonstrates the potential for enabling efficient classical simulation of increasingly complex quantum circuits.
High-performance classical simulator for quantum circuits, in particular the tensor network contraction algorithm, has become an important tool for the validation of noisy quantum computing. In order to address the memory limitations, the slicing technique is used to reduce the tensor dimensions, but it could also lead to additional computation overhead that greatly slows down the overall performance. This paper proposes novel lifetime-based methods to reduce the slicing overhead and improve the computing efficiency, including, an interpretation method to deal with slicing overhead, an inplace slicing strategy to find the smallest slicing set and an adaptive tensor network contraction path refiner customized for Sunway architecture. Experiments show that in most cases the slicing overhead with our inplace slicing strategy would be less than the Cotengra, which is the most used graph path optimization software at present. Finally, the resulting simulation time is reduced to 96.1s for the Sycamore quantum processor RQC, with a sustainable single-precision performance of 308.6Pflops using over 41M cores to generate 1M correlated samples, which is more than 5 times performance improvement compared to 60.4 Pflops in 2021 Gordon Bell Prize work.
Large-scale tensor network simulations are crucial for developing robust complexity-theoretic bounds on classical quantum simulation, enabling circuit cutting approaches, and optimizing circuit compilation, all of which aid efficient quantum computation on limited quantum resources. Modern exascale high-performance computing platforms offer significant potential for advancing tensor network quantum circuit simulation capabilities. We implement TN-Sim, a tensor network simulator backend within the NWQ-Sim software package that utilizes the Tensor Algebra for Many-body Methods (TAMM) framework to support both distributed HPC-scale computations and local simulations with ITensor. To optimize the scale up in computation across multiple nodes we implement a task based parallelization scheme to demonstrate parallelized gate contraction for wide quantum circuits with many gates per layer. Through the integration of the TAMM framework with Matrix Product State (MPS) tensor network approaches, we deliver a simulation environment that can scale from local systems to HPC clusters. We demonstrate an MPS tensor network simulator running on the state-of-the-art Perlmutter (NVIDIA) supercomputer and discuss the potential portability of this software to HPC clusters such as Frontier (AMD) and Aurora (Intel). We also discuss future improvements including support for different tensor network topologies and enhanced computational efficiency.
Quantum computational chemistry (QCC) is the use of quantum computers to solve problems in computational quantum chemistry. We develop a high performance variational quantum eigensolver (VQE) simulator for simulating quantum computational chemistry problems on a new Sunway supercomputer. The major innovations include: (1) a Matrix Product State (MPS) based VQE simulator to reduce the amount of memory needed and increase the simulation efficiency; (2) a combination of the Density Matrix Embedding Theory with the MPS-based VQE simulator to further extend the simulation range; (3) A three-level parallelization scheme to scale up to 20 million cores; (4) Usage of the Julia script language as the main programming language, which both makes the programming easier and enables cutting edge performance as native C or Fortran; (5) Study of real chemistry systems based on the VQE simulator, achieving nearly linearly strong and weak scaling. Our simulation demonstrates the power of VQE for large quantum chemistry systems, thus paves the way for large-scale VQE experiments on near-term quantum computers.
Classical simulation of quantum computation is vital for verifying quantum devices and assessing quantum algorithms. We present a new quantum circuit simulator developed on the Sunway TaihuLight supercomputer. Compared with other simulators, the present one is distinguished in two aspects. First, our simulator is more versatile. The simulator consists of three mutually independent parts to compute the full, partial and single amplitudes of a quantum state with different methods. It has the function of emulating the effect of noise and support more kinds of quantum operations. Second, our simulator is of high efficiency. The simulator is designed in a two-level parallel structure to be implemented efficiently on the distributed many-core Sunway TaihuLight supercomputer. Random quantum circuits can be simulated with 40, 75 and 200 qubits on the full, partial and single amplitude, respectively. As illustrative applications of the simulator, we present a quantum fast Poisson solver and an algorithm for quantum arithmetic of evaluating transcendental functions. Our simulator is expected to have broader applications in developing quantum algorithms in various fields.