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arXiv:2311.01512

Distributed Simulation of Statevectors and Density Matrices

Tyson Jones, Bálint Koczor, Simon C. Benjamin

Published Nov 2, 2023• 1 citation
arXivHTMLPDF

Abstract

Classical simulation of quantum computers is an irreplaceable step in the design of quantum algorithms. Exponential simulation costs demand the use of high-performance computing techniques, and in particular distribution, whereby the quantum state description is partitioned between a network of cooperating computers - necessary for the exact simulation of more than approximately 30 qubits. Distributed computing is notoriously difficult, requiring bespoke algorithms dissimilar to their serial counterparts with different resource considerations, and which appear to restrict the utilities of a quantum simulator. This manuscript presents a plethora of novel algorithms for distributed full-state simulation of gates, operators, noise channels and other calculations in digital quantum computers. We show how a simple, common but seemingly restrictive distribution model actually permits a rich set of advanced facilities including Pauli gadgets, many-controlled many-target general unitaries, density matrices, general decoherence channels, and partial traces. These algorithms include asymptotically, polynomially improved simulations of exotic gates, and thorough motivations for high-performance computing techniques which will be useful for even non-distributed simulators. Our results are derived in language familiar to a quantum information theory audience, and our algorithms formalised for the scientific simulation community. We have implemented all algorithms herein presented into an isolated, minimalist C++ project, hosted open-source on Github with a permissive MIT license, and extensive testing. This manuscript aims both to significantly improve the high-performance quantum simulation tools available, and offer a thorough introduction to, and derivation of, full-state simulation techniques.

DOI
10.48550/arxiv.2311.01512

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Classical simulation of quantum computers is an irreplaceable step in the design of quantum algorithms. Exponential simulation costs demand the use of high-performance computing techniques, and in particular distribution, whereby the quantum state description is partitioned between a network of cooperating computers - necessary for the exact simulation of more than approximately 30 qubits. Distributed computing is notoriously difficult, requiring bespoke algorithms dissimilar to their serial counterparts with different resource considerations, and which appear to restrict the utilities of a quantum simulator. This manuscript presents a plethora of novel algorithms for distributed full-state simulation of gates, operators, noise channels and other calculations in digital quantum computers. We show how a simple, common but seemingly restrictive distribution model actually permits a rich set of advanced facilities including Pauli gadgets, many-controlled many-target general unitaries, density matrices, general decoherence channels, and partial traces. These algorithms include asymptotically, polynomially improved simulations of exotic gates, and thorough motivations for high-performance computing techniques which will be useful for even non-distributed simulators. Our results are derived in language familiar to a quantum information theory audience, and our algorithms formalised for the scientific simulation community. We have implemented all algorithms herein presented into an isolated, minimalist C++ project, hosted open-source on Github with a permissive MIT license, and extensive testing. This manuscript aims both to significantly improve the high-performance quantum simulation tools available, and offer a thorough introduction to, and derivation of, full-state simulation techniques.
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Simulating quantum computation on a classical computer is a difficult problem. The matrices representing quantum gates, and vectors modeling qubit states grow exponentially with an increase in the number of qubits. However, by using a new data structure called the Quantum Information Decision Diagram (QuIDD) that exploits the structure of quantum operators, many of these matrices and vectors can be represented in a form that grows polynomially. Using QuIDDs, we implemented a general-purpose quantum computing simulator in C++ called QuIDDPro and tested it on Grover's algorithm. Our QuIDD technique asymptotically outperforms other known simulation techniques.
Abstract Large-scale classical simulation of quantum computers is crucial for benchmarking quantum algorithms, establishing boundaries of quantum advantage and exploring heuristic quantum algorithms. We present a full-state vector simulation algorithm and software implementation designed to perform HPC simulation of layers of rotations around a string of Pauli operators. We demonstrate robust scalability of the simulation method on large distributed CPU and GPU systems. Our distributed computation harnessed up to 16384 CPU cores and 512 NVIDIA H100 GPUs, using 32 TB of memory. The simulator significantly outperforms other high-performance libraries, showing a typical speedup of 10-100 for large-scale multi-GPU workloads. As a first application of our approach, we report a numerical experiment aimed at simulating exactly Hamiltonian dynamics of up to 40 qubits to investigate the Trotter error for a quantum chemistry problem. Bounding the Trotter error is important for evaluating the cost of quantum algorithms for chemistry, and rigorous bounds are often conservative, as our simulations confirm. Our software, specifically designed for quantum time evolution applications, is also well equipped to manage circuits that utilize standard gate sets.
Developing state-of-the-art classical simulators of quantum circuits is of utmost importance to test and evaluate early quantum technology and understand the true potential of full-blown error-corrected quantum computers. In the past few years, multiple theoretical and numerical advances have continuously pushed the boundary of what is classically simulable, hence the development of a plethora of tools which are often limited to a specific purpose or designed for a particular hardware (e.g. CPUs vs. GPUs). Moreover, such tools are typically developed using tailored languages and syntax, which makes it hard to compare results from, and create hybrid approaches using, different simulation techniques. To support unified and optimized use of these techniques across platforms, we developed HybridQ , a highly extensible platform designed to provide a common framework to integrate multiple state-of-the-art techniques to run on a variety of hardware. The philosophy behind its development has been driven by three main pillars: Easy to Use, Easy to Extend, and Use the Best Available Technology. The powerful tools of HybridQ allow users to manipulate, develop, and extend noiseless and noisy circuits for different hardware architectures. HybridQ supports large-scale high-performance computing (HPC) simulations, automatically balancing workload among different processor nodes and enabling the use of multiple backends to maximize parallel efficiency. Everything is then glued together by a simple and expressive language that allows seamless switching from one technique to another as well as from one hardware to the next, without the need to write lengthy translations, thus greatly simplifying the development of new hybrid algorithms and techniques.
Abstract Classical simulation of quantum computers will continue to play an essential role in the progress of quantum information science, both for numerical studies of quantum algorithms and for modeling noise and errors. Here we introduce the latest release of Intel Quantum Simulator (IQS), formerly known as qHiPSTER. The high-performance computing (HPC) capability of the software allows users to leverage the available hardware resources provided by supercomputers, as well as available public cloud computing infrastructure. To take advantage of the latter platform, together with the distributed simulation of each separate quantum state, IQS allows to subdivide the computational resources to simulate a pool of related circuits in parallel. We highlight the technical implementation of the distributed algorithm and details about the new pool functionality. We also include some basic benchmarks (up to 42 qubits) and performance results obtained using HPC infrastructure. Finally, we use IQS to emulate a scenario in which many quantum devices are running in parallel to implement the quantum approximate optimization algorithm, using particle swarm optimization as the classical subroutine. The results demonstrate that the hyperparameters of this classical optimization algorithm depends on the total number of quantum circuit simulations one has the bandwidth to perform. Intel Quantum Simulator has been released open-source with permissive licensing and is designed to simulate a large number of qubits, to emulate multiple quantum devices running in parallel, and/or to study the effects of decoherence and other hardware errors on calculation results.
In the effort to develop useful quantum computers, simulating quantum machines with conventional classical computing resources is a key capability. Such simulations will always face limits, preventing the emulation of quantum computers at substantial scale; however, by pushing the envelope through optimal choices of algorithms and hardware, the value of simulator tools can be maximized. This work reviews state-of-the-art numerical simulation methods, i.e., classical algorithms that emulate quantum computer evolution under specific operations. We focus on the mainstream state-vector and tensor-network paradigms, while briefly mentioning alternative methods. Moreover, we review the diverse applications of simulation across different facets of quantum computer development, including understanding the fundamental differences between quantum and classical computations, exploring algorithmic design for quantum advantage, predicting quantum processor performance at the design stage, and efficiently characterizing fabricated devices for rapid iterations. This review complements recent surveys of current tools and implementations; here, we aim to provide readers with an essential understanding of the theoretical basis of classical simulation methods, a detailed discussion of their advantages and limitations, and an overview of the demands and challenges arising from practical use cases.