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arXiv:1707.00865 · IEEE Transactions on Computer-Aided Design of Integrated Circuits and Systems

Advanced Simulation of Quantum Computations

Alwin Zulehner, Robert Wille

Published May 8, 2018• 155 citations
arXivHTMLPDF

Abstract

Quantum computation is a promising emerging technology which, compared to conventional computation, allows for substantial speed-ups, e.g., for integer factorization or database search. However, since physical realizations of quantum computers are in their infancy, a significant amount of research in this domain still relies on simulations of quantum computations on conventional machines. This causes a significant complexity which current state-of-the-art simulators try to tackle with a rather straight forward array-based representation and by applying massive hardware power. There also exist solutions based on decision diagrams (i.e., graph-based approaches) that try to tackle the exponential complexity by exploiting redundancies in quantum states and operations. However, these existing approaches do not fully exploit redundancies that are actually present. In this paper, we revisit the basics of quantum computation, investigate how corresponding quantum states and quantum operations can be represented even more compactly, and, eventually, simulated in a more efficient fashion. This leads to a new graph-based simulation approach which outperforms state-of-the-art simulators (array-based as well as graph-based). Experimental evaluations show that the proposed solution is capable of simulating quantum computations for more qubits than before, and in significantly less run-time (several magnitudes faster compared to previously proposed simulators). An implementation of the proposed simulator is publicly available online at http://iic.jku.at/eda/research/quantum_simulation.

DOI
10.1109/tcad.2018.2834427

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Quantum computation is a promising emerging technology which, compared to conventional computation, allows for substantial speed-ups, e.g., for integer factorization or database search. However, since physical realizations of quantum computers are in their infancy, a significant amount of research in this domain still relies on simulations of quantum computations on conventional machines. This causes a significant complexity which current state-of-the-art simulators try to tackle with a rather straight forward array-based representation and by applying massive hardware power. There also exist solutions based on decision diagrams (i.e., graph-based approaches) that try to tackle the exponential complexity by exploiting redundancies in quantum states and operations. However, these existing approaches do not fully exploit redundancies that are actually present. In this paper, we revisit the basics of quantum computation, investigate how corresponding quantum states and quantum operations can be represented even more compactly, and, eventually, simulated in a more efficient fashion. This leads to a new graph-based simulation approach which outperforms state-of-the-art simulators (array-based as well as graph-based). Experimental evaluations show that the proposed solution is capable of simulating quantum computations for more qubits than before, and in significantly less run-time (several magnitudes faster compared to previously proposed simulators). An implementation of the proposed simulator is publicly available online at http://iic.jku.at/eda/research/quantum_simulation.
Quantum-mechanical phenomena are playing an increasing role in information processing as transistor sizes approach the nanometer level, while the securest forms of communication rely on quantum data encoding. When they involve a finite number of basis states, these phenomena can be modeled as quantum circuits, the quantum analogue of conventional or classical logic circuits. Simulation of quantum circuits can therefore be used as a tool to evaluate issues in the design of quantum information processors. Unfortunately, simulating such phenomena efficiently is exceedingly difficult. The matrices representing quantum operators (gates) and vectors modeling quantum states grow exponentially with the number of quantum bits. The information represented by quantum states and operators often exhibits structure that can be exploited when simulating certain classes of quantum circuits. We study the development of simulation methods that run on classical computers and take advantage of such repetitions and redundancies. In particular, we define a new data structure for simulating quantum circuits called the quantum information decision diagram (QuIDD). A QuIDD is a compressed graph representation of a vector or matrix and permits computations to be performed directly on the compressed data. We develop a comprehensive set of algorithms for operating on QuIDDs in both the state-vector and density-matrix formats, and evaluate their complexity. These algorithms have been implemented in a general-purpose simulator program for quantum-mechanical applications called QuIDDPro. Through extensive experiments conducted on representative quantum simulation applications, including Grover's search algorithm, error characterization, and reversible circuits, we demonstrate that QuIDDPro is faster than other existing quantum-mechanical simulators such as the National Institute of Standards and Technology's QCSim program, and is far more memory-efficient. Using QuIDDPro, we explore the advantages of quantum computation over classical computation, simulate quantum errors and error correction, and study the impact of numerical precision on the fidelity of simulations. We also develop several novel algorithms for testing quantum circuit equivalence and compare them empirically. The QuIDDPro software is equipped with a user-friendly interface and is distributed with numerous example scripts. It has been used as a laboratory supplement for quantum computing courses at several universities.
Despite the recent progress in the physical implementation of quantum computers, a significant amount of research still depends on the use of quantum circuit simulators running on classical hardware. While there are several techniques for quantum circuit simulation, many state-of-the-art simulators rely on an array-based simulation approach. However, this array-based approach has exponential memory complexity with respect to the number of simulated qubits. To address this drawback, complementary approaches based on decision diagrams have been proposed. While these approaches allow simulating circuits that could not be simulated before, they come with their own drawbacks. Unfortunately, no detailed case study has been conducted to date, which compares those complementary approaches and their respective strengths and weaknesses. In this work, we are addressing this by providing a survey on both approaches as well as a detailed case study on their respective performances.
Since quantum computers can solve important problems faster than classical computers, many resources have gone into the development of this technology in recent decades. Despite the tremendous progress that has already been made toward the development of quantum computers, they are still an emerging technology, which restricts access and reliability. Thus, research on quantum algorithms still heavily relies on quantum circuit simulators that run on classical hardware. However, simulating the execution of a quantum computer on conventional hardware is exponentially difficult, which is also the reason why quantum computing is an interesting technology in the first place. Particularly complex is noise-aware simulation of quantum computers, i.e., the consideration of noise effects that are common in today’s quantum hardware during quantum circuit simulation. In this work, we investigate the use of decision diagrams for this task. To this end, we present two distinct approaches for noise-aware quantum circuit simulation, investigate how they can be realized using decision diagrams, and implement decision diagram-based solutions for each of the presented noise-aware simulation schemes. In an extensive evaluation, we unveil potential for further improvements and also demonstrate substantial speed-ups compared to the current state of the art.
With the emergence of more and more applications for quantum computing, also the development of corresponding methods for design automation is receiving increasing interest. In this respect, decision diagrams provide a promising basis for many design tasks such as simulation, synthesis, verification, and more. However, users of the corresponding tools often do not have a proper background or an intuition about how these methods based on decision diagrams work and what their strengths and limits are. In an effort to make decision diagrams for quantum computing more accessible, we present a visualization tool which visualizes quantum decision diagrams and allows to explore their behavior when used in the design tasks mentioned above. The installation-free web-tool allows users to interactively learn how decision diagrams can be used in quantum computing, e.g., to (1) compactly represent quantum states and the functionality of quantum circuits, (2) to efficiently simulate quantum circuits, and (3) to verify the equivalence of two circuits. The tool is available at https://iic.jku.at/eda/research/quantum_dd/tool
Quantum computing promises substantial speedups by exploiting quantum mechanical phenomena such as superposition and entanglement. Corresponding design methods require efficient means of representation and manipulation of quantum functionality. In the classical domain, decision diagrams have been successfully employed as a powerful alternative to straightforward means such as truth tables. This motivated extensive research on whether decision diagrams provide similar potential in the quantum domain-resulting in new types of decision diagrams capable of substantially reducing the complexity of representing quantum states and functionality. From an implementation perspective, many concepts and techniques from the classical domain can be re-used in order to implement decision diagrams packages for the quantum realm. However, new problems-namely how to efficiently handle complex numbers-arise. In this work, we propose a solution to overcome these problems. Experimental evaluations confirm that this yields improvements of orders of magnitude in the runtime needed to create and to utilize these decision diagrams. The resulting implementation is publicly available as a quantum DD package at http://iic.jku.at/eda/research/quantum_dd.
The simulation of quantum systems on classical computers faces significant challenges due to the exponential scaling of computational resources required to accurately represent quantum states and their evolution. This work proposes a novel approach to quantum computing simulation based on graph representation and graph neural networks (GNNs). We represent quantum systems as graphs, where nodes correspond to quantum bits (qubits) and edges represent the interactions between them. The dynamics of the quantum system are then learned using GNNs, which can efficiently capture complex correlations and dependencies within the system. This method offers a potential pathway to scaling quantum simulations by exploiting the inherent parallelism and learning capabilities of graph-based models. The core claim of this research is that simulating quantum systems on classical computers is computationally intractable for large systems. The core mechanism involves representing quantum systems as graphs and employing GNNs to learn system dynamics. This approach provides a new way to tackle the problem of quantum simulation.