Abstract Quantum simulation is a promising application of future quantum computers. Product formulas, or Trotterization, are the oldest and still remain an appealing method to simulate quantum systems. For an accurate product formula approximation, the state-of-the-art gate complexity depends on the number of terms in the Hamiltonian and a local energy estimate. In this work, we give evidence that product formulas, in practice, may work much better than expected. We prove that the Trotter error exhibits a qualitatively better scaling for the vast majority of input states, while the existing estimate is for the worst states. For general k-local Hamiltonians and higher-order product formulas, we obtain gate count estimates for input states drawn from any orthogonal basis. The gate complexity significantly improves over the worst case for systems with large connectivity. Our typical-case results generalize to Hamiltonians with Fermionic terms, with input states drawn from a fixed-particle number subspace, and with Gaussian coefficients (e.g., the SYK models). Technically, we employ a family of simple but versatile inequalities from non-commutative martingales called uniform smoothness, which leads to Hypercontractivity, namely p-norm estimates for k-local operators. This delivers concentration bounds via Markov’s inequality. For optimality, we give analytic and numerical examples that simultaneously match our typical-case estimates and the existing worst-case estimates. Therefore, our improvement is due to asking a qualitatively different question, and our results open doors to the study of quantum algorithms in the average case.
Abstract Quantum simulation is a promising application of future quantum computers. Product formulas, or Trotterization, are the oldest and still remain an appealing method to simulate quantum systems. For an accurate product formula approximation, the state-of-the-art gate complexity depends on the number of terms in the Hamiltonian and a local energy estimate. In this work, we give evidence that product formulas, in practice, may work much better than expected. We prove that the Trotter error exhibits a qualitatively better scaling for the vast majority of input states, while the existing estimate is for the worst states. For general k-local Hamiltonians and higher-order product formulas, we obtain gate count estimates for input states drawn from any orthogonal basis. The gate complexity significantly improves over the worst case for systems with large connectivity. Our typical-case results generalize to Hamiltonians with Fermionic terms, with input states drawn from a fixed-particle number subspace, and with Gaussian coefficients (e.g., the SYK models). Technically, we employ a family of simple but versatile inequalities from non-commutative martingales called uniform smoothness, which leads to Hypercontractivity, namely p-norm estimates for k-local operators. This delivers concentration bounds via Markov’s inequality. For optimality, we give analytic and numerical examples that simultaneously match our typical-case estimates and the existing worst-case estimates. Therefore, our improvement is due to asking a qualitatively different question, and our results open doors to the study of quantum algorithms in the average case.
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 Smax across all bipartitions, we prove that the first-order Trotter error scales as O(t2Smaxpolylog(n)/r) rather than the worst-case O(t2n/r), where n is the system size and r is the number of Trotter steps. This yields improvements of Ω~(n2) for one-dimensional area-law systems and Ω~(n3/2) for two-dimensional systems. We extend these bounds to higher-order Suzuki formulas, where the improvement factor involves 2pS∗/2 for the p-th order formula. We further establish a separation result demonstrating that volume-law entangled systems fundamentally require 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.
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) to O(n) for second-order, and from O(n5) to O(n2) for fourth-order formulas on n 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 (Li4Mn2O) 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.
Quantum simulation has wide applications in quantum chemistry and physics.Recently, scientists have begun exploring the use of randomized methods for accelerating quantum simulation.Among them, a simple and powerful technique, called QDRIFT, is known to generate random product formulas for which the average quantum channel approximates the ideal evolution.QDRIFT achieves a gate count that does not explicitly depend on the number of terms in the Hamiltonian, which contrasts with Suzuki formulas.This work aims to understand the origin of this speedup by comprehensively analyzing a single realization of the random product formula produced by QDRIFT.The main results prove that a typical realization of the randomized product formula approximates the ideal unitary evolution up to a small diamond-norm error.The gate complexity is already independent of the number of terms in the Hamiltonian, but it depends on the system size and the sum of the interaction strengths in the Hamiltonian.Remarkably, the same random evolution starting from an arbitrary, but fixed, input state yields a much shorter circuit suitable for that input state.In contrast, in deterministic settings, such an improvement usually requires initial state knowledge.The proofs depend on concentration inequalities for vector and matrix martingales, and the framework is applicable to other randomized product formulas.Our bounds are saturated by certain commuting Hamiltonians.
Quantum phase estimation requires simulating the evolution of the Hamiltonian, for which product formulas are attractive due to their smaller qubit cost and ease of implementation. However, the estimation of the error incurred by product formulas is usually pessimistic and task-agnostic, which poses problems for assessing their performance in practice for problems of interest. In this work, we study the error of product formulas for the specific task of quantum energy estimation. To this end, we employ the theory of Trotter error with a Magnus-based expansion of the effectively simulated Hamiltonian. The result is a generalization of previous energy estimation error analysis of gapped eigenstates to arbitrary order product formulas. As an application, we discover a 9-term second-order product formula with an energy estimation error that is quadratically better than Trotter-Suzuki. Furthermore, by leveraging recent work on low-energy dynamics of product formulas, we provide tighter bounds for energy estimation error in the low-energy subspace. We show that for Hamiltonians with some locality and positivity properties, the cost can achieve up to a quadratic asymptotic speedup in terms of the target error.
Product formulas, also known as Trotter formulas, are among the most widely used and practical methods for simulating quantum systems on quantum computers. Here we introduce two new classes of randomized product formulas for simulating Hamiltonians with separated energy scales, H=A+αB, where α is small. In the standard access model, where one can implement exponentials of A and B separately, our randomized formulas achieve O(α2) error scaling at the cost of only doubling the gate depth of the corresponding deterministic formula. We further prove an Ω(α) lower bound for deterministic product formulas. In a stronger access model, allowing exponentials of A+αBℓ for B=∑ℓBℓ, our randomized formula, based on Trotter Heuristic Resource Improved Formulas for Time-dynamics (THRIFT)~[J. L. Bosse et al., Nat. Commun. 16, 2673 (2025)], achieves O(α3) error scaling with only constant-factor expected gate overhead. We also establish an Ω(α2) lower bound for deterministic product formulas in this access model. Numerical simulations confirm gate-count reductions for simulating physically motivated systems.
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 ε using QPE can be improved in scaling from ε to 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 M from O(M−1) to 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).