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arXiv:1512.03416 · Journal of Mathematical Physics

A Trotter-Suzuki approximation for Lie groups with applications to Hamiltonian simulation

Rolando D. Somma

Published Jun 1, 2016• 36 citations
arXivHTMLPDF

Abstract

We present a product formula to approximate the exponential of a skew-Hermitian operator that is a sum of generators of a Lie algebra. The number of terms in the product depends on the structure factors. When the generators have large norm with respect to the dimension of the Lie algebra, or when the norm of the effective operator resulting from nested commutators is less than the product of the norms, the number of terms in the product is significantly less than that obtained from well-known results. We apply our results to construct product formulas useful for the quantum simulation of some continuous-variable and bosonic physical systems, including systems whose potential is not quadratic. For many of these systems, we show that the number of terms in the product can be sublinear or even subpolynomial in the dimension of the relevant local Hilbert spaces, where such a dimension is usually determined by the energy scale of the problem. Our results emphasize the power of quantum computers for the simulation of various quantum systems.

DOI
10.1063/1.4952761

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We present a product formula to approximate the exponential of a skew-Hermitian operator that is a sum of generators of a Lie algebra. The number of terms in the product depends on the structure factors. When the generators have large norm with respect to the dimension of the Lie algebra, or when the norm of the effective operator resulting from nested commutators is less than the product of the norms, the number of terms in the product is significantly less than that obtained from well-known results. We apply our results to construct product formulas useful for the quantum simulation of some continuous-variable and bosonic physical systems, including systems whose potential is not quadratic. For many of these systems, we show that the number of terms in the product can be sublinear or even subpolynomial in the dimension of the relevant local Hilbert spaces, where such a dimension is usually determined by the energy scale of the problem. Our results emphasize the power of quantum computers for the simulation of various quantum systems.
Abstract Trotter product formulas constitute a cornerstone quantum Hamiltonian simulation technique. However, the efficient implementation of Hamiltonian evolution of nested commutators remains an under explored area.In this work, we construct optimized product formulas of orders 3 to 6 approximating the exponential of a commutator of two arbitrary operators in terms of the exponentials of the operators involved. The new schemes require a reduced number of exponentials and thus provide more efficient approximations than other previouslypublished alternatives. They can also be used as basic methods in recursive procedures to increasethe order of approximation.We expect this research will improve the efficiency of quantum control protocols, as well as quantum algorithms such as the Zassenhaus-based product formula, Magnus operator-based time-dependent simulation, and product formula schemes with modified potentials.
We establish tight connections between entanglement entropy and the approximation error in Trotter-Suzuki product formulas for Hamiltonian simulation. Product formulas remain the workhorse of quantum simulation on near-term devices, yet standard error analyses yield worst-case bounds that can vastly overestimate the resources required for structured problems. For systems governed by geometrically local Hamiltonians with maximum entanglement entropy SmaxS_\text{max}Smax​ across all bipartitions, we prove that the first-order Trotter error scales as O(t2Smaxpolylog⁡(n)/r)\mathcal{O}(t^2 S_\text{max} \operatorname{polylog}(n)/r)O(t2Smax​polylog(n)/r) rather than the worst-case O(t2n/r)\mathcal{O}(t^2 n/r)O(t2n/r), where nnn is the system size and rrr is the number of Trotter steps. This yields improvements of Ω~(n2)\tildeΩ(n^2)Ω~(n2) for one-dimensional area-law systems and Ω~(n3/2)\tildeΩ(n^{3/2})Ω~(n3/2) for two-dimensional systems. We extend these bounds to higher-order Suzuki formulas, where the improvement factor involves 2pS∗/22^{pS^*/2}2pS∗/2 for the ppp-th order formula. We further establish a separation result demonstrating that volume-law entangled systems fundamentally require Ω~(n)\tildeΩ(n)Ω~(n) more Trotter steps than area-law systems to achieve the same precision. This separation is tight up to logarithmic factors. Our analysis combines Lieb-Robinson bounds for locality, tensor network representations for entanglement structure, and novel commutator-entropy inequalities that bound the expectation value of nested commutators by the Schmidt rank of the state. These results have immediate applications to quantum chemistry, condensed matter simulation, and resource estimation for fault-tolerant quantum computing.
We consider Hamiltonian simulation using the first order Lie-Trotter product formula under the assumption that the initial state has a high overlap with an energy eigenstate, or a collection of eigenstates in a narrow energy band. This assumption is motivated by quantum phase estimation (QPE) and digital adiabatic simulation (DAS). Treating the effective Hamiltonian that generates the Trotterized time evolution using rigorous perturbative methods, we show that the Trotter step size needed to estimate an energy eigenvalue within precision εεε using QPE can be improved in scaling from εεε to ε1/2ε^{1/2}ε1/2 for a large class of systems (including any Hamiltonian which can be decomposed as a sum of local terms or commuting layers that each have real-valued matrix elements). For DAS we improve the asymptotic scaling of the Trotter error with the total number of gates MMM from O(M−1)\mathcal{O}(M^{-1})O(M−1) to O(M−2)\mathcal{O}(M^{-2})O(M−2), and for any fixed circuit depth we calculate an approximately optimal step size that balances the error contributions from Trotterization and the adiabatic approximation. These results partially generalize to diabatic processes, which remain in a narrow energy band separated from the rest of the spectrum by a gap, thereby contributing to the explanation of the observed similarities between the quantum approximate optimization algorithm and diabatic quantum annealing at small system sizes. Our analysis depends on the perturbation of eigenvectors as well as eigenvalues, and on quantifying the error using state fidelity (instead of the matrix norm of the difference of unitaries which is sensitive to an overall global phase).
The Lie-Trotter formula has been a fundamental tool in quantum mechanics, quantum computing, and quantum simulations. The error estimations for the Lie-Trotter product formula play a crucial role in achieving scalability and computational efficiency. In this note, we present two error estimates of Lie-Trotter product formulas, utilizing Jordan product within Banach algebras. Additionally, we introduce two generalized Lie-Trotter formula and provide two explicit estimation formulas. Consequently, the renowned Suzuki symmetrized approximation for the exponentiated sums follows directly from our main Theorem.
Abstract We consider the time-independent Hamiltonian simulation using the first order Lie–Trotter–Suzuki product formula under the assumption that the initial state is supported on a low-dimension subspace. By comparing the spectral decomposition of the original Hamiltonian and the effective Hamiltonian, we obtain better upper bounds for various conditions. Especially, we show that the Trotter step size needed to estimate an energy eigenvalue within precision ϵ using quantum phase estimation can be improved in scaling from ϵ to ϵ 1/2 for a large class of systems. Our results also depend on the gap condition of the simulated Hamiltonian.
Trotter product formulas are a leading approach for Hamiltonian simulation on quantum computers, yet their practical performance has remained difficult to assess due to the challenge of accurately estimating the Trotter error. In this work, we develop new theoretical results, algorithms, and software tools that advance the state-of-the-art in Trotter error estimation by orders of magnitude in both scale and accuracy. On the theoretical side, we prove that in the asymptotic limit the error of a product formula depends on the diagonal elements of the Baker-Campbell-Hausdorff (BCH) error operator in the eigenbasis of the Hamiltonian, rather than its full spectral norm -- yielding an improved scaling for Hamiltonian simulation using product formulas. On the algorithmic side, we introduce a compact representation of the BCH expansion that reduces the number of commutators from O(n3)\mathcal{O}(n^3)O(n3) to O(n)\mathcal{O}(n)O(n) for second-order, and from O(n5)\mathcal{O}(n^5)O(n5) to O(n2)\mathcal{O}(n^2)O(n2) for fourth-order formulas on nnn fragments, complemented by an importance sampling scheme to further reduce the computational cost. We provide implementations of these techniques in software and demonstrate their power on two applications: (i) X-ray absorption spectroscopy of an electronic Hamiltonian (Li4_44​Mn2_22​O) at up to 56 qubits using tensor networks; and (ii) vibronic dynamics of naphthalene at over 100 qubits using ML-MCTDH, where we find that naive analytical bounds overestimate the required number of Trotter steps by nearly five orders of magnitude. Our framework enables, for the first time, the accurate estimation of Trotter error at practically relevant system sizes, providing a foundation for fair algorithmic comparisons and rational design of product formulas.