Quantum phase estimation combined with Hamiltonian simulation is the most promising algorithmic framework to computing ground-state energies on quantum computers. Its main computational overhead derives from the Hamiltonian simulation subroutine. In this paper we use randomization to speed up product formulas, one of the standard approaches to Hamiltonian simulation. We propose partially randomized Hamiltonian simulation methods in which some terms are kept deterministically and others are randomly sampled. We perform a detailed resource estimate for single-ancilla phase estimation using partially randomized product formulas for benchmark systems in quantum chemistry and obtain orders-of-magnitude improvements compared to other simulations based on product formulas. When applied to the hydrogen chain, we have numerical evidence that our methods exhibit asymptotic scaling with the system size that is competitive with the best known qubitization approaches.
Hamiltonian simulation is a central application of quantum computing. Randomized Hamiltonian simulation approximates the target dynamics by sampling quantum circuits and often allows simpler circuit implementations. We develop a framework for randomized Hamiltonian simulation in which Hamiltonian terms are sampled with arbitrary probabilities and the corresponding short-time evolutions are implemented sequentially. The leading channel error relative to ideal time evolution is governed by the variance of the sampled generators. Minimizing the variance-based upper bound on the worst-case error recovers qDRIFT, a leading randomized Hamiltonian simulation algorithm that samples terms in proportion to their operator norms. For typical input states, however, this sampling distribution need not be optimal. Minimizing Haar-averaged error bounds instead yields sampling probabilities proportional to the Hilbert-Schmidt norms of the terms. This choice can provide smaller average-error bounds than conventional qDRIFT. For Hamiltonians expressed as sums of Pauli strings, we combine this framework with commuting Pauli grouping to obtain smaller error bounds than conventional qDRIFT at fixed
Rz depth. Numerical benchmarks for the Sachdev-Ye-Kitaev model show error-bound improvement factors consistent with linear scaling in the number of qubits. For the 108-qubit FeMoco Hamiltonian, the error bounds are reduced by a factor of about 5.65. These results establish average-error optimization as a practical design principle for randomized Hamiltonian simulation.
This chapter covers the quantum algorithmic primitive of Hamiltonian simulation, which aims to digitally simulate the evolution of a quantum state forward in time according to a Hamiltonian. There are several approaches to Hamiltonian simulation, which are best suited to different situations. We cover approaches for time-independent Hamiltonian simulation based on product formulas, the randomized compiling approach called qDRIFT, and quantum signal processing. We also discuss a method that leverages linear combination of unitaries and truncation of Taylor and Dyson series, which is well suited for time-dependent Hamiltonian simulation