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arXiv:2101.02504 · IEEE Transactions on Quantum Engineering

Distributed Quantum Computing and Network Control for Accelerated VQE

Stephen DiAdamo, Marco Ghibaudi, James R. Cruise

Published Jan 1, 2021• 71 citations
arXivHTMLPDF

Abstract

Interconnecting small quantum computers will be essential in the future for creating large-scale, robust quantum computers. Methods for distributing monolithic quantum algorithms efficiently are, thus, needed. In this article, we consider an approach for distributing the accelerated variational quantum eigensolver algorithm over arbitrary sized—in terms of number of qubits—distributed quantum computers. We consider approaches for distributing qubit assignments of the Ansatz states required to estimate the expectation value of Hamiltonian operators in quantum chemistry in a parallelized computation and provide a systematic approach to generate distributed quantum circuits for distributed quantum computing. Moreover, we propose an architecture for a distributed quantum control system in the context of centralized and decentralized network control.

DOI
10.1109/tqe.2021.3057908

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Quantum computational chemistry methods for early-stage quantum computers

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One of the first practical applications of quantum computers is expected to be molecular modelling. Performing this task would profoundly affect areas such as chemistry, materials science and drug synthesis. Modelling of molecules, which are classically intractable, can be achieved with just over $30$ qubits, whereas state of the art quantum computers already have more than $50$ qubits. The Variational Quantum Eigensolver (VQE) algorithm and VQE based protocols, are promising candidates to enable this task on emerging Noisy Intermediate-Scale Quantum (NISQ) computers. These protocols require short quantum circuits and short coherence times, and are particularly resilient to quantum errors. Nevertheless, there is still a significant gap between the accuracy and the coherence times of current NISQ computers, and the hardware requirements of VQE protocols to simulate practically interesting molecules. In this thesis, I present my contribution to narrowing this gap by developing VQE protocols for molecular modelling that are less demanding on quantum hardware. The VQE relies on the Rayleigh-Ritz variational principle to estimate the eigenvalues of a Hamiltonian operator, by minimizing its expectation value with respect to a trial quantum state, prepared by an ansatz. A major challenge for the practical realisation of VQE protocols on NISQ computers is to construct an ansatz that: (1) can accurately approximate the eigenstates of the Hamiltonian; (2) is easy to optimize; and (3) can be implemented by a shallow circuit, within the capabilities of a NISQ computer. The most widely used, unitary coupled cluster (UCC), type of ans\"atze mathematically correspond to a product of unitary evolutions of fermionic excitation operators. Owing to their fermionic structure, UCC ans\"atze preserve the symmetries of electronic wavefunctions, and thus are accurate and easy to optimize. Nevertheless, UCC ans\"atze are implemented by high depth circuits, which severely limit the size of the molecules that can be reliably simulated on NISQ computers. In this thesis, I begin by constructing efficient quantum circuits to perform evolutions of fermionic excitation operators. The circuits are optimized in the number of two-qubit entangling gates, which are the current bottleneck of NISQ computers. Compared to the standard circuits used to implement evolutions of fermionic excitation operators, the circuits derived in this thesis reduce the number of two-qubit entangling gates by more than $70\%$ on average. As an intermediate result, I also derive efficient circuits to perform evolutions of qubit excitation operators (excitation operators that account for qubit, rather than fermionic commutation relations). Even with the fermionic-excitation-evolution circuits derived here, UCC ans\"atze still require very long circuits, with a particularly large number of two-qubit entangling gates. In this thesis, I consider the use of alternative VQE ans\"atze, based on evolutions of qubit excitation operators. Due to not accounting for fermionic anticommutation, evolutions of qubit excitation operators can be performed by circuits that require asymptotically fewer two-qubit entangling gates. Furthermore, qubit excitation operators preserve many of the physical properties of fermionic excitation operators. Performing a number of classical numerical VQE simulations for small molecules, I show that qubit-excitation-based ans\"atze can approximate molecular electronic wavefunctions almost as accurately as fermionic-excitation-based ans\"atze. Hence, I argue that evolutions of qubit excitation operators are more suitable to construct molecular ans\"atze than evolutions of fermionic excitation operators, especially in the era of NISQ computers. Motivated by the advantage of qubit-excitation-based ans\"atze, I introduce the qubit-excitation-based adaptive variational quantum eigensolver (QEB-ADAPT-VQE). The QEB-ADAPT-VQE belongs to a family of ADAPT-VQE protocols for molecular modelling that grow a problem-tailored ansatz by iteratively appending unitary operators sampled from a predefined finite-size pool of operators. The operator at each iteration is sampled based on an ansatz-growing strategy, which aims to achieve the lowest estimate for the Hamiltonian expectation value at each iteration. In this way, ADAPT-VQE protocols construct shallow-circuit, few-parameter ans\"atze tailored specifically to the molecular systems of interest. In the case of the QEB-ADAPT-VQE, the operator pool is defined by a set of evolutions of single and double qubit excitation operators. I benchmark the performance of the QEB-ADAPT-VQE, by performing classical numerical simulations. I demonstrate that it can construct ans\"atze that are several orders of magnitude more accurate, and require significantly shallower circuits, than standard UCC ans\"atze. I also compare the QEB-ADAPT-VQE against the original fermionic-ADAPT-VQE, which utilizes a pool of fermionic excitation evolutions, and the qubit-ADAPT-VQE, which utilizes a pool of Pauli-string evolutions. I demonstrate that, in terms of circuit efficiency and convergence speed, the QEB-ADAPT-VQE systematically outperforms the qubit-ADAPT-VQE, which to my knowledge was the previous most circuit-efficient, scalable VQE protocol for molecular modeling. The QEB-ADAPT-VQE protocol, therefore represents a significant improvement in the field of VQE protocols for molecular modelling and brings us closer to achieving practical quantum advantage. Lastly, I outline a modified version of the QEB-ADAPT-VQE, the excited-QEB-ADAPT-VQE, designed to estimate energies of excited molecular states. The excited-QEB-ADAPT-VQE is more robust to initial simulation conditions, at the expense of increased computational complexity.

•Jul 26, 2021•1 citation
Interconnecting small quantum computers will be essential in the future for creating large-scale, robust quantum computers. Methods for distributing monolithic quantum algorithms efficiently are, thus, needed. In this article, we consider an approach for distributing the accelerated variational quantum eigensolver algorithm over arbitrary sized—in terms of number of qubits—distributed quantum computers. We consider approaches for distributing qubit assignments of the Ansatz states required to estimate the expectation value of Hamiltonian operators in quantum chemistry in a parallelized computation and provide a systematic approach to generate distributed quantum circuits for distributed quantum computing. Moreover, we propose an architecture for a distributed quantum control system in the context of centralized and decentralized network control.
Abstract We demonstrate a two-qubit variational quantum eigensolver (VQE) implementation using two spatially separated single-photon processors connected via a 3 km optical fiber network. Our approach leverages local operations on pre-shared entanglement to evaluate two-qubit Hamiltonians. By incorporating parameterized weak measurement operations within the local operations framework, we enable access to the complete Hilbert space across distributed quantum processors – a capability typically requiring complex non-local operations. Our experimental results show accurate ground state energy estimation for Hamiltonians including H-He + cation and the Schwinger model, validating both the necessity of weak measurements and high-quality entanglement in distributed quantum computing. This work establishes a promising direction for resource-efficient, scalable quantum network architectures that maintain full computational capabilities through local operations and controlled entanglement manipulation.
Scaling the size of monolithic quantum computer systems is a difficult task. As the number of qubits within a device increases, a number of factors contribute to decreases in yield and performance. To meet this challenge, distributed architectures composed of many networked quantum computers have been proposed as a viable path to scalability. Such systems will need algorithms and compilers that are tailored to their distributed architectures. In this work we introduce the Quantum Divide and Conquer Algorithm (QDCA), a hybrid variational approach to mapping large combinatorial optimization problems onto distributed quantum architectures. This is achieved through the combined use of graph partitioning and quantum circuit cutting. The QDCA, an example of application-compiler co-design, alters the structure of the variational ansatz to tame the exponential compilation overhead incurred by quantum circuit cutting. The result of this cross-layer co-design is a highly flexible algorithm which can be tuned to the amount of classical or quantum computational resources that are available, and can be applied to both near- and long-term distributed quantum ar-chitectures. We simulate the QDCA on instances of the Maximum Independent Set problem and find that it is able to outperform similar classical algorithms. We also evaluate an 8-qubit QDCA ansatz on a superconducting quantum computer and show that circuit cutting can help to mitigate the effects of noise. Our work demonstrates how many small-scale quantum computers canwork together to solve problems 85 % larger than their own qubit count, motivating the development and potential of large-scale distributed quantum computing.
Abstract Distributed quantum computing (DQC) combines the computing power of multiple networked quantum processing modules, ideally enabling the execution of large quantum circuits without compromising performance or qubit connectivity 1,2 . Photonic networks are well suited as a versatile and reconfigurable interconnect layer for DQC; remote entanglement shared between matter qubits across the network enables all-to-all logical connectivity through quantum gate teleportation (QGT) 3,4 . For a scalable DQC architecture, the QGT implementation must be deterministic and repeatable; until now, no demonstration has satisfied these requirements. Here we experimentally demonstrate the distribution of quantum computations between two photonically interconnected trapped-ion modules. The modules, separated by about two metres, each contain dedicated network and circuit qubits. By using heralded remote entanglement between the network qubits, we deterministically teleport a controlled-Z (CZ) gate between two circuit qubits in separate modules, achieving 86% fidelity. We then execute Grover’s search algorithm 5 —to our knowledge, the first implementation of a distributed quantum algorithm comprising several non-local two-qubit gates—and measure a 71% success rate. Furthermore, we implement distributed iSWAP and SWAP circuits, compiled with two and three instances of QGT, respectively, demonstrating the ability to distribute arbitrary two-qubit operations 6 . As photons can be interfaced with a variety of systems, the versatile DQC architecture demonstrated here provides a viable pathway towards large-scale quantum computing for a range of physical platforms.
A viable approach for building large-scale quantum computers is to interlink small-scale quantum computers with a quantum network to create a larger distributed quantum computer. When designing quantum algorithms for such a distributed quantum computer, one can make use of the added parallelization and distribution abilities inherent in the system. An added difficulty to then overcome for distributed quantum computing is that a complex control system to orchestrate the various components is required. In this work, we aim to address these issues. We explicitly define what it means for a quantum algorithm to be distributed and then present various quantum algorithms that fit the definition. We discuss potential benefits and propose a high-level scheme for controlling the system. With this, we present our software framework called Interlin-q, a simulation platform that aims to simplify designing and verifying parallel and distributed quantum algorithms. We demonstrate Interlin-q by implementing some of the discussed algorithms using Interlin-q and layout future steps for developing Interlin-q into a control system for distributed quantum computers.
The variational quantum eigensolver (VQE) stands as a prominent quantum-classical hybrid algorithm for near-term quantum computers to obtain the ground states of molecular Hamiltonians in quantum chemistry. However, due to the noncommutativity of the Pauli operators in the Hamiltonian, the number of measurements required on quantum computers increases significantly as the system size grows, which may hinder practical applications of VQE. In this work, we present a protocol termed (JBM-VQE) to reduce the number of measurements and speed up the VQE algorithm. Our method employs joint Bell measurements, enabling the simultaneous measurement of the absolute values of all expectation values of Pauli operators present in the Hamiltonian. In the course of the optimization, JBM-VQE estimates the absolute values of the expectation values of the Pauli operators for each iteration by the joint Bell measurement, while the signs of them are measured less frequently by the conventional method to measure the expectation values. Our approach is based on the empirical observation that the signs do not often change during optimization. We illustrate the speed-up of JBM-VQE compared to conventional VQE by numerical simulations for finding the ground states of molecular Hamiltonians of small molecules, and the speed-up of JBM-VQE at the early stage of the optimization becomes increasingly pronounced in larger systems. Our approach based on the joint Bell measurement is not limited to VQE and can be utilized in various quantum algorithms whose cost functions are expectation values of many Pauli operators. Published by the American Physical Society 2024
One of the first practical applications of quantum computers is expected to be molecular modelling. Performing this task would profoundly affect areas such as chemistry, materials science and drug synthesis. Modelling of molecules, which are classically intractable, can be achieved with just over 303030 qubits, whereas state of the art quantum computers already have more than 505050 qubits. The Variational Quantum Eigensolver (VQE) algorithm and VQE based protocols, are promising candidates to enable this task on emerging Noisy Intermediate-Scale Quantum (NISQ) computers. These protocols require short quantum circuits and short coherence times, and are particularly resilient to quantum errors. Nevertheless, there is still a significant gap between the accuracy and the coherence times of current NISQ computers, and the hardware requirements of VQE protocols to simulate practically interesting molecules. In this thesis, I present my contribution to narrowing this gap by developing VQE protocols for molecular modelling that are less demanding on quantum hardware. The VQE relies on the Rayleigh-Ritz variational principle to estimate the eigenvalues of a Hamiltonian operator, by minimizing its expectation value with respect to a trial quantum state, prepared by an ansatz. A major challenge for the practical realisation of VQE protocols on NISQ computers is to construct an ansatz that: (1) can accurately approximate the eigenstates of the Hamiltonian; (2) is easy to optimize; and (3) can be implemented by a shallow circuit, within the capabilities of a NISQ computer. The most widely used, unitary coupled cluster (UCC), type of ans\"atze mathematically correspond to a product of unitary evolutions of fermionic excitation operators. Owing to their fermionic structure, UCC ans\"atze preserve the symmetries of electronic wavefunctions, and thus are accurate and easy to optimize. Nevertheless, UCC ans\"atze are implemented by high depth circuits, which severely limit the size of the molecules that can be reliably simulated on NISQ computers. In this thesis, I begin by constructing efficient quantum circuits to perform evolutions of fermionic excitation operators. The circuits are optimized in the number of two-qubit entangling gates, which are the current bottleneck of NISQ computers. Compared to the standard circuits used to implement evolutions of fermionic excitation operators, the circuits derived in this thesis reduce the number of two-qubit entangling gates by more than 70%70\%70% on average. As an intermediate result, I also derive efficient circuits to perform evolutions of qubit excitation operators (excitation operators that account for qubit, rather than fermionic commutation relations). Even with the fermionic-excitation-evolution circuits derived here, UCC ans\"atze still require very long circuits, with a particularly large number of two-qubit entangling gates. In this thesis, I consider the use of alternative VQE ans\"atze, based on evolutions of qubit excitation operators. Due to not accounting for fermionic anticommutation, evolutions of qubit excitation operators can be performed by circuits that require asymptotically fewer two-qubit entangling gates. Furthermore, qubit excitation operators preserve many of the physical properties of fermionic excitation operators. Performing a number of classical numerical VQE simulations for small molecules, I show that qubit-excitation-based ans\"atze can approximate molecular electronic wavefunctions almost as accurately as fermionic-excitation-based ans\"atze. Hence, I argue that evolutions of qubit excitation operators are more suitable to construct molecular ans\"atze than evolutions of fermionic excitation operators, especially in the era of NISQ computers. Motivated by the advantage of qubit-excitation-based ans\"atze, I introduce the qubit-excitation-based adaptive variational quantum eigensolver (QEB-ADAPT-VQE). The QEB-ADAPT-VQE belongs to a family of ADAPT-VQE protocols for molecular modelling that grow a problem-tailored ansatz by iteratively appending unitary operators sampled from a predefined finite-size pool of operators. The operator at each iteration is sampled based on an ansatz-growing strategy, which aims to achieve the lowest estimate for the Hamiltonian expectation value at each iteration. In this way, ADAPT-VQE protocols construct shallow-circuit, few-parameter ans\"atze tailored specifically to the molecular systems of interest. In the case of the QEB-ADAPT-VQE, the operator pool is defined by a set of evolutions of single and double qubit excitation operators. I benchmark the performance of the QEB-ADAPT-VQE, by performing classical numerical simulations. I demonstrate that it can construct ans\"atze that are several orders of magnitude more accurate, and require significantly shallower circuits, than standard UCC ans\"atze. I also compare the QEB-ADAPT-VQE against the original fermionic-ADAPT-VQE, which utilizes a pool of fermionic excitation evolutions, and the qubit-ADAPT-VQE, which utilizes a pool of Pauli-string evolutions. I demonstrate that, in terms of circuit efficiency and convergence speed, the QEB-ADAPT-VQE systematically outperforms the qubit-ADAPT-VQE, which to my knowledge was the previous most circuit-efficient, scalable VQE protocol for molecular modeling. The QEB-ADAPT-VQE protocol, therefore represents a significant improvement in the field of VQE protocols for molecular modelling and brings us closer to achieving practical quantum advantage. Lastly, I outline a modified version of the QEB-ADAPT-VQE, the excited-QEB-ADAPT-VQE, designed to estimate energies of excited molecular states. The excited-QEB-ADAPT-VQE is more robust to initial simulation conditions, at the expense of increased computational complexity.