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arXiv:2209.03478 · npj Quantum Information

Synthesizing efficient circuits for Hamiltonian simulation

Priyanka Mukhopadhyay, Nathan Wiebe, Hong Tao Zhang

Published Apr 3, 2023• 18 citations
arXivHTMLPDF

Abstract

Abstract We provide an approach for compiling quantum simulation circuits that appear in Trotter, qDRIFT and multi-product formulas to Clifford and non-Clifford operations that can reduce the number of non-Clifford operations. The total number of gates, especially CNOT, reduce in many cases. We show that it is possible to implement an exponentiated sum of commuting Paulis with at most m (controlled)-rotation gates, where m is the number of distinct non-zero eigenvalues (ignoring sign). Thus we can collect mutually commuting Hamiltonian terms into groups satisfying one of several symmetries identified in this work. This allows an inexpensive simulation of the entire group of terms. We further show that the cost can in some cases be reduced by partially allocating Hamiltonian terms to several groups and provide a polynomial time classical algorithm that can greedily allocate the terms to appropriate groupings.

DOI
10.1038/s41534-023-00697-6

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Abstract We provide an approach for compiling quantum simulation circuits that appear in Trotter, qDRIFT and multi-product formulas to Clifford and non-Clifford operations that can reduce the number of non-Clifford operations. The total number of gates, especially CNOT, reduce in many cases. We show that it is possible to implement an exponentiated sum of commuting Paulis with at most m (controlled)-rotation gates, where m is the number of distinct non-zero eigenvalues (ignoring sign). Thus we can collect mutually commuting Hamiltonian terms into groups satisfying one of several symmetries identified in this work. This allows an inexpensive simulation of the entire group of terms. We further show that the cost can in some cases be reduced by partially allocating Hamiltonian terms to several groups and provide a polynomial time classical algorithm that can greedily allocate the terms to appropriate groupings.
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.
The classical simulation of quantum circuits is of central importance for benchmarking near-term quantum devices. The fact that gates belonging to the Clifford group can be simulated efficiently on classical computers has motivated a range of methods that scale exponentially only in the number of non-Clifford gates. Here, we consider the expectation value problem for circuits composed of Clifford gates and non-Clifford Pauli rotations and introduce a heuristic perturbative approach based on the truncation of the exponentially growing sum of Pauli terms in the Heisenberg picture. Numerical results are shown on a quantum approximate optimization algorithm benchmark for the E3LIN2 problem, and we also demonstrate how this method can be used to quantify coherent and incoherent errors of local observables in Clifford circuits. Our results indicate that this systematically improvable perturbative method offers a viable alternative to exact methods for approximating expectation values of large near-Clifford circuits.
Hamiltonian simulation is a key quantum algorithm for modeling complex systems. To implement a Hamiltonian simulation, it is typically decomposed into a list of Pauli strings, each corresponds to an RZ rotation gate with many Clifford gates. These RZ gates are generally synthesized into a sequence of Clifford and T gates in fault-tolerant quantum computers, where the T-gate count and T-gate depth are critical metrics for such systems. In this paper, we propose NCF, a compilation framework that reduces both the T-gate count and T-gate depth for Hamiltonian simulation. NCF partitions Pauli strings into groups, where each group can be conjugated (i.e., transformed) into a list of Pauli strings that apply quantum gates on a restricted subset of qubits, allowing for simultaneous synthesis of the whole group and reducing both T-gate count and depth. Experimental results demonstrate that NCF achieves an average reduction of 57.4%, 49.1%, and 49.0% in T-gate count, T-gate depth, and Clifford count, respectively, compared to the state-of-the-art method.
Abstract Quantum computers can be used to simulate the evolution of quantum systems via the discretization of this evolution into unitary gate sequences. While Trotter-Suzuki (TS) methods stand as the most prevalent approach for quantum simulation, their effectiveness is contingent upon the sparsity of the Hamiltonian system. This is due to the precision and gate complexity of the TS method being dependent on the number of terms within the Hamiltonian. Despite attempts to mitigate this dependence through the random permutation of terms within TS methods, scalability issues persist. To address this, Campbell introduced the qDRIFT algorithm, leveraging random compilation to alleviate the reliance on the Hamiltonian’s term count. However, the initial implementation of this algorithm necessitated the involvement of classical computing resources for gate set compilation. Our study presents two novel quantum circuit implementations of the qDRIFT algorithm, eliminating the need for classical computing resources. We employ the Linear Combination of Unitaries (LCU) approach and the Quantum Forking (QF) procedure to construct efficient circuits to implement the qDRIFT algorithm. Furthermore, we conduct a comparative analysis of the gate complexities between our proposed circuits and TS methods, identifying the scenarios in which our circuits exhibit superior performance.
Abstract Efficiently calculating the low-lying eigenvalues of Hamiltonians, written as sums of Pauli operators, is a fundamental challenge in quantum computing. While various methods have been proposed to reduce the complexity of quantum circuits for this task, there remains room for further improvement. In this article, we introduce a new circuit design using commuting groups within the Hamiltonian to further reduce the circuit complexity of Hamiltonian-based quantum circuits. Our approach involves partitioning the Pauli operators into mutually commuting clusters and finding Clifford unitaries that diagonalize each cluster. We then design an ansatz that uses these Clifford unitaries for efficient switching between the clusters, complemented by a layer of parameterized single qubit rotations for each individual cluster. By conducting numerical simulations, we demonstrate the effectiveness of our method in accurately determining the ground state energy of different quantum chemistry Hamiltonians. Our results highlight the applicability and potential of our approach for designing problem-inspired ansatz for various quantum computing applications.
Simulating quantum circuits classically is an important area of research in quantum information, with applications in computational complexity and validation of quantum devices. One of the state-of-the-art simulators, that of Bravyi et al, utilizes a randomized sparsification technique to approximate the output state of a quantum circuit by a stabilizer sum with a reduced number of terms. In this paper, we describe an improved Monte Carlo algorithm for performing randomized sparsification. This algorithm reduces the runtime of computing the approximate state by the factor ℓ/m , where ℓ and m are respectively the total and non-Clifford gate counts. The main technique is a circuit recompilation routine based on manipulating exponentiated Pauli operators. The recompilation routine also facilitates numerical search for Clifford decompositions of products of non-Clifford gates, which can further reduce the runtime in certain cases by reducing the 1-norm of the vector of expansion, ‖a‖1 . It may additionally lead to a framework for optimizing circuit implementations over a gate-set, reducing the overhead for state-injection in fault-tolerant implementations. We provide a concise exposition of randomized sparsification, and describe how to use it to estimate circuit amplitudes in a way which can be generalized to a broader class of gates and states. This latter method can be used to obtain additive error estimates of circuit probabilities with a faster runtime than the full techniques of Bravyi et al. Such estimates are useful for validating near-term quantum devices provided that the target probability is not exponentially small.