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arXiv:2306.00170 · Physical Review A

Reducing circuit depth with qubitwise diagonalization

Edison M. Murairi, Michael J. Cervia

Published Dec 13, 2023• 2 citations
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Abstract

A variety of quantum algorithms employ Pauli operators as a convenient basis for studying the spectrum or evolution of Hamiltonians or measuring multibody observables. One strategy to reduce circuit depth in such algorithms involves simultaneous diagonalization of Pauli operators generating unitary evolution operators or observables of interest. We propose an algorithm yielding quantum circuits with depths $O(nlogr)$ diagonalizing $n$-qubit operators generated by $r$ Pauli operators. Moreover, as our algorithm iteratively diagonalizes all operators on at least one qubit per step, it is well suited to maintain low circuit depth even on hardware with limited qubit connectivity. We observe that our algorithm performs favorably in producing quantum circuits diagonalizing randomly generated Hamiltonians as well as molecular Hamiltonians with short depths and low two-qubit gate counts.

DOI
10.1103/physreva.108.062414

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A variety of quantum algorithms employ Pauli operators as a convenient basis for studying the spectrum or evolution of Hamiltonians or measuring multibody observables. One strategy to reduce circuit depth in such algorithms involves simultaneous diagonalization of Pauli operators generating unitary evolution operators or observables of interest. We propose an algorithm yielding quantum circuits with depths O(nlogr)O(nlogr)O(nlogr) diagonalizing nnn-qubit operators generated by rrr Pauli operators. Moreover, as our algorithm iteratively diagonalizes all operators on at least one qubit per step, it is well suited to maintain low circuit depth even on hardware with limited qubit connectivity. We observe that our algorithm performs favorably in producing quantum circuits diagonalizing randomly generated Hamiltonians as well as molecular Hamiltonians with short depths and low two-qubit gate counts.
A central building block of many quantum algorithms is the diagonalization of Pauli operators. Although it is always possible to construct a quantum circuit that simultaneously diagonalizes a given set of commuting Pauli operators, only resource-efficient circuits can be executed reliably on near-term quantum computers. Generic diagonalization circuits, in contrast, often lead to an unaffordable Swap gate overhead on quantum devices with limited hardware connectivity. A common alternative is to exclude two-qubit gates altogether. However, this comes at the severe cost of restricting the class of diagonalizable sets of Pauli operators to tensor product bases (TPBs). In this article, we introduce a theoretical framework for constructing hardware-tailored (HT) diagonalization circuits. Our framework establishes a systematic and highly flexible procedure for tailoring diagonalization circuits with ultra-low gate counts. We highlight promising use cases of our framework and - as a proof-of-principle application - we devise an efficient algorithm for grouping the Pauli operators of a given Hamiltonian into jointly-HT-diagonalizable sets. For several classes of Hamiltonians, we observe that our approach requires fewer measurements than conventional TPB approaches. Finally, we experimentally demonstrate that HT circuits can improve the efficiency of estimating expectation values with cloud-based quantum computers.
A central building block of many quantum algorithms is the diagonalization of Pauli operators. Although it is always possible to construct a quantum circuit that simultaneously diagonalizes a given set of commuting Pauli operators, only resource-efficient circuits can be executed reliably on near-term quantum computers. Generic diagonalization circuits, in contrast, often lead to an unaffordable SWAP gate overhead on quantum devices with limited hardware connectivity. A common alternative is to exclude two-qubit gates altogether. However, this comes at the severe cost of restricting the class of diagonalizable sets of Pauli operators to tensor product bases (TPBs). In this article, we introduce a theoretical framework for constructing hardware-tailored (HT) diagonalization circuits. Our framework establishes a systematic and highly flexible procedure for tailoring diagonalization circuits with ultra-low gate counts. We highlight promising use cases of our framework and - as a proof-of-principle application - we devise an efficient algorithm for grouping the Pauli operators of a given Hamiltonian into jointly-HT-diagonalizable sets. For several classes of Hamiltonians, we observe that our approach requires fewer measurements than conventional TPB approaches. Finally, we experimentally demonstrate that HT circuits can improve the efficiency of estimating expectation values with cloud-based quantum computers.
Diagonal unitary operators are well known to be key building blocks of many quantum algorithms and quantum computing procedures, and thus resource-efficient quantum circuit implementations are in demand. Here we propose a constructive algorithm that can generate a quantum circuit over the primitive gate set {cnot, RZ{R}_{Z}RZ​} for realizing any given diagonal unitary operator piece by piece. The theoretical analysis reveals that, for the general case, our generated circuit not only ensures the asymptotically optimal gate count, but also nearly halves the circuit depth compared with the previous Welch's method [New J. Phys. 16, 033040 (2014)]. Specifically, this substantial depth optimization originates from the use of a uniform circuit rewriting rule developed here. The performance of our circuit synthesis algorithm is further validated by numerical evaluations on two examples. First, we achieve a nearly 50% depth reduction over Welch's method for synthesizing random diagonal unitary operators with up to 16 qubits. Second, we achieve an average of 22.05% depth reduction for resynthesizing the diagonal part of the specific quantum approximate optimization algorithm (QAOA) circuits with up to 14 qubits.
Many applications of practical interest rely on time evolution of Hamiltonians that are given by a sum of Pauli operators. Quantum circuits for exact time evolution of single Pauli operators are well known, and can be extended trivially to sums of commuting Paulis by concatenating the circuits of individual terms. In this paper we reduce the circuit complexity of Hamiltonian simulation by partitioning the Pauli operators into mutually commuting clusters and exponentiating the elements within each cluster after applying simultaneous diagonalization. We provide a practical algorithm for partitioning sets of Paulis into commuting subsets, and show that the proposed approach can help to significantly reduce both the number of C N O T operations and circuit depth for Hamiltonians arising in quantum chemistry. The algorithms for simultaneous diagonalization are also applicable in the context of stabilizer states; in particular we provide novel four- and five-stage representations, each containing only a single stage of conditional gates.
During the noisy intermediate-scale quantum (NISQ) era, it is important to optimize the quantum circuits in circuit depth and gate count, especially entanglement gates, including the CNOT gate. Among all the unitary operators, diagonal unitary matrices form a special class that plays a crucial role in many quantum algorithms/subroutines. Based on a natural gate set {CNOT, Rz}, quantum circuits for general diagonal unitary matrices were discussed in several previous works, and an optimal synthesis algorithm was proposed in terms of circuit depth. In this paper, we are interested in the implementation of diagonal unitary matrices with reflection symmetry, which has promising applications, including the realization of real-time evolution for first quantized Hamiltonians by quantum circuits. Owing to such a symmetric property, we show that the quantum circuit in the existing work can be further simplified and propose a constructive algorithm that optimizes the entanglement gate count. Compared to the previous synthesis methods for general diagonal unitary matrices, the quantum circuit by our proposed algorithm achieves nearly half the reduction in both the gate count and circuit depth.
This work proposes double-bracket iterations as a framework for obtaining diagonalizing quantum circuits. Their implementation on a quantum computer consists of interlacing evolutions generated by the input Hamiltonian with diagonal evolutions which can be chosen variationally. No qubit overheads or controlled-unitary operations are needed but the method is recursive which makes the circuit depth grow exponentially with the number of recursion steps. To make near-term implementations viable, the proposal includes optimization of diagonal evolution generators and of recursion step durations. Indeed, thanks to this numerical examples show that the expressive power of double-bracket iterations suffices to approximate eigenstates of relevant quantum models with few recursion steps. Compared to brute-force optimization of unstructured circuits double-bracket iterations do not suffer from the same trainability limitations. Moreover, with an implementation cost lower than required for quantum phase estimation they are more suitable for near-term quantum computing experiments. More broadly, this work opens a pathway for constructing purposeful quantum algorithms based on so-called double-bracket flows also for tasks different from diagonalization and thus enlarges the quantum computing toolkit geared towards practical physics problems.