Simulation of quantum chemistry is expected to be a principal application of quantum computing. In quantum simulation, a complicated Hamiltonian describing the dynamics of a quantum system is decomposed into its constituent terms, where the effect of each term during time-evolution is individually computed. For many physical systems, the Hamiltonian has a large number of terms, constraining the scalability of established simulation methods. To address this limitation we introduce a new scheme that approximates the actual Hamiltonian with a sparser Hamiltonian containing fewer terms. By stochastically sparsifying weaker Hamiltonian terms, we benefit from a quadratic suppression of errors relative to deterministic approaches. Relying on optimality conditions from convex optimisation theory, we derive an appropriate probability distribution for the weaker Hamiltonian terms, and compare its error bounds with other probability ansatzes for some electronic structure Hamiltonians. Tuning the sparsity of our approximate Hamiltonians allows our scheme to interpolate between two recent random compilers: qDRIFT and randomized first order Trotter. Our scheme is thus an algorithm that combines the strengths of randomised Trotterisation with the efficiency of qDRIFT, and for intermediate gate budgets, outperforms both of these prior methods.Simulation of quantum chemistry is expected to be a principal application of quantum computing. In quantum simulation, a complicated Hamiltonian describing the dynamics of a quantum system is decomposed into its constituent terms, where the effect of each term during time-evolution is individually computed. For many physical systems, the Hamiltonian has a large number of terms, constraining the scalability of established simulation methods. To address this limitation we introduce a new scheme that approximates the actual Hamiltonian with a sparser Hamiltonian containing fewer terms. By stochastically sparsifying weaker Hamiltonian terms, we benefit from a quadratic suppression of errors relative to deterministic approaches. Relying on optimality conditions from convex optimisation theory, we derive an appropriate probability distribution for the weaker Hamiltonian terms, and compare its error bounds with other probability ansatzes for some electronic structure Hamiltonians. Tuning the sparsity of our approximate Hamiltonians allows our scheme to interpolate between two recent random compilers: qDRIFT and randomized first order Trotter. Our scheme is thus an algorithm that combines the strengths of randomised Trotterisation with the efficiency of qDRIFT, and for intermediate gate budgets, outperforms both of these prior methods.

Feb 27, 202041 citations

Random Compiler for Fast Hamiltonian Simulation

Earl T. Campbell

The dynamics of a quantum system can be simulated using a quantum computer by breaking down the unitary into a quantum circuit of one and two qubit gates. The most established methods are the Trotter-Suzuki decompositions, for which rigorous bounds on the circuit size depend on the number of terms L in the system Hamiltonian and the size of the largest term in the Hamiltonian Λ. Consequently, the Trotter-Suzuki method is only practical for sparse Hamiltonians. Trotter-Suzuki is a deterministic compiler but it was recently shown that randomized compiling offers lower overheads. Here we present and analyze a randomized compiler for Hamiltonian simulation where gate probabilities are proportional to the strength of a corresponding term in the Hamiltonian. This approach requires a circuit size independent of L and Λ, but instead depending on λ the absolute sum of Hamiltonian strengths (the ℓ_{1} norm). Therefore, it is especially suited to electronic structure Hamiltonians relevant to quantum chemistry. Considering propane, carbon dioxide, and ethane, we observe speed-ups compared to standard Trotter-Suzuki of between 306× and 1591× for physically significant simulation times at precision 10^{-3}. Performing phase estimation at chemical accuracy, we report that the savings are similar.The dynamics of a quantum system can be simulated using a quantum computer by breaking down the unitary into a quantum circuit of one and two qubit gates. The most established methods are the Trotter-Suzuki decompositions, for which rigorous bounds on the circuit size depend on the number of terms L in the system Hamiltonian and the size of the largest term in the Hamiltonian Λ. Consequently, the Trotter-Suzuki method is only practical for sparse Hamiltonians. Trotter-Suzuki is a deterministic compiler but it was recently shown that randomized compiling offers lower overheads. Here we present and analyze a randomized compiler for Hamiltonian simulation where gate probabilities are proportional to the strength of a corresponding term in the Hamiltonian. This approach requires a circuit size independent of L and Λ, but instead depending on λ the absolute sum of Hamiltonian strengths (the ℓ_{1} norm). Therefore, it is especially suited to electronic structure Hamiltonians relevant to quantum chemistry. Considering propane, carbon dioxide, and ethane, we observe speed-ups compared to standard Trotter-Suzuki of between 306× and 1591× for physically significant simulation times at precision 10^{-3}. Performing phase estimation at chemical accuracy, we report that the savings are similar.

arXiv:1811.08017Physical Review LettersAug 14, 2019354 citations

Pathwise Random Hamiltonian Simulation

Davide Cugini

Randomized product formulas such as qDrift offer a resource-efficient alternative to deterministic Trotter--Suzuki decompositions for Hamiltonian simulation, removing their polynomial dependence on the number of Hamiltonian terms. qDrift, however, is intrinsically limited to first order in the evolution time, so its query complexity remains linear in the inverse of the target accuracy, $1/ε$ . We introduce Pathwise Random Hamiltonian Simulation (PRHS), which extends qDrift to arbitrary order by subdividing each time step into $M$ correlated slices, each evolving under a term sampled from a quasi-probability distribution that we construct in closed form and prove unique, with a bias decaying factorially in $M$ . Optimizing jointly over the number of slices $M$ and the number of independent blocks $N$ interpolates between the standard qDrift protocol at long times and a high-precision regime where the query cost grows slower than any power of $1/ε$ , without requiring ancillary qubits. Numerical simulations of five molecular Hamiltonians confirm this advantage, with PRHS achieving accuracies two to four orders of magnitude beyond qDrift at equal query cost.Randomized product formulas such as qDrift offer a resource-efficient alternative to deterministic Trotter--Suzuki decompositions for Hamiltonian simulation, removing their polynomial dependence on the number of Hamiltonian terms. qDrift, however, is intrinsically limited to first order in the evolution time, so its query complexity remains linear in the inverse of the target accuracy, $1/ε$. We introduce Pathwise Random Hamiltonian Simulation (PRHS), which extends qDrift to arbitrary order by subdividing each time step into $M$ correlated slices, each evolving under a term sampled from a quasi-probability distribution that we construct in closed form and prove unique, with a bias decaying factorially in $M$. Optimizing jointly over the number of slices $M$ and the number of independent blocks $N$ interpolates between the standard qDrift protocol at long times and a high-precision regime where the query cost grows slower than any power of $1/ε$, without requiring ancillary qubits. Numerical simulations of five molecular Hamiltonians confirm this advantage, with PRHS achieving accuracies two to four orders of magnitude beyond qDrift at equal query cost.

quant-pharXiv:2608.29756Sep 1, 20260 citations

New random compiler for Hamiltonians via Markov Chains

Dubus, Benoît, Cunningham, Joseph, Jérémie Roland

Many quantum algorithms, such as adiabatic algorithms (e.g. AQC) and phase randomisation, require simulating Hamiltonian evolution. In addition, the simulation of physical systems is an important objective in its own right. In many cases, the Hamiltonian is complex at first sight, but can be decomposed as a linear combination of simple ones; for instance, a sum of local Hamiltonians for Ising models or a sum of time-independent Hamiltonians with time-dependent coefficients (which is typically the case for adiabatic algorithms). In this paper we develop a new compiler, similar to the first order randomized Trotter, or qDRIFT, but with an arguably simpler framework. It is more versatile as it supports a large class of randomisation schemes and as well as time-dependent weights. We first present the model and derive its governing equations. We then define and analyze the simulation error for a sum of two Hamiltonians, and generalize it to a sum of $Q$ Hamiltonians. We prove that the number of gates necessary to simulate the weighted sum of $Q$ Hamiltonians of magnitude $C$ during a time $T$ with an error less than $ε_0$ grows as $\tilde{\mathcal{O}}\left(C^2T^2ε_0^{-1}\right)$ .Many quantum algorithms, such as adiabatic algorithms (e.g. AQC) and phase randomisation, require simulating Hamiltonian evolution. In addition, the simulation of physical systems is an important objective in its own right. In many cases, the Hamiltonian is complex at first sight, but can be decomposed as a linear combination of simple ones; for instance, a sum of local Hamiltonians for Ising models or a sum of time-independent Hamiltonians with time-dependent coefficients (which is typically the case for adiabatic algorithms). In this paper we develop a new compiler, similar to the first order randomized Trotter, or qDRIFT, but with an arguably simpler framework. It is more versatile as it supports a large class of randomisation schemes and as well as time-dependent weights. We first present the model and derive its governing equations. We then define and analyze the simulation error for a sum of two Hamiltonians, and generalize it to a sum of $Q$ Hamiltonians. We prove that the number of gates necessary to simulate the weighted sum of $Q$ Hamiltonians of magnitude $C$ during a time $T$ with an error less than $ε_0$ grows as $\tilde{\mathcal{O}}\left(C^2T^2ε_0^{-1}\right)$.

arXiv:2411.06485Nov 10, 20240 citations

Optimized Randomized Hamiltonian Simulation via Average-Error Analysis

Hayata Morisaki, Keisuke Fujii

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 $R_z$ 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.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 $R_z$ 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.

quant-pharXiv:2609.36694Sep 30, 20260 citations

Faster Quantum Simulation Of Markovian Open Quantum Systems Via Randomisation

I. J. David, Ilya Sinayskiy, Francesco Petruccione

When simulating the dynamics of open quantum systems with quantum computers, it is essential to accurately approximate the system's behaviour while preserving the physicality of its evolution. Traditionally, for Markovian open quantum systems, this has been achieved using first and second-order Trotter-Suzuki product formulas or probabilistic algorithms. In this work, we introduce novel non-probabilistic algorithms for simulating Markovian open quantum systems using randomisation. Our methods, including first and second-order randomised Trotter-Suzuki formulas and the QDRIFT channel, not only maintain the physicality of the system's evolution but also enhance the scalability and precision of quantum simulations. We derive error bounds and step count limits for these techniques, bypassing the need for the mixing lemma typically employed in Hamiltonian simulation proofs. Furthermore, we implement these randomised algorithms using Classical Sampling (CS), demonstrating their gate complexity advantages over deterministic TS product formulas. This work systematically extends powerful randomisation techniques from Hamiltonian simulation to the general setting of Markovian open quantum systems, highlighting their potential to enable faster and more accurate simulations.When simulating the dynamics of open quantum systems with quantum computers, it is essential to accurately approximate the system's behaviour while preserving the physicality of its evolution. Traditionally, for Markovian open quantum systems, this has been achieved using first and second-order Trotter-Suzuki product formulas or probabilistic algorithms. In this work, we introduce novel non-probabilistic algorithms for simulating Markovian open quantum systems using randomisation. Our methods, including first and second-order randomised Trotter-Suzuki formulas and the QDRIFT channel, not only maintain the physicality of the system's evolution but also enhance the scalability and precision of quantum simulations. We derive error bounds and step count limits for these techniques, bypassing the need for the mixing lemma typically employed in Hamiltonian simulation proofs. Furthermore, we implement these randomised algorithms using Classical Sampling (CS), demonstrating their gate complexity advantages over deterministic TS product formulas. This work systematically extends powerful randomisation techniques from Hamiltonian simulation to the general setting of Markovian open quantum systems, highlighting their potential to enable faster and more accurate simulations.

arXiv:2408.11683QuantumSep 3, 20261 citation

1/ε

. We introduce Pathwise Random Hamiltonian Simulation (PRHS), which extends qDrift to arbitrary order by subdividing each time step into

M

correlated slices, each evolving under a term sampled from a quasi-probability distribution that we construct in closed form and prove unique, with a bias decaying factorially in

M

. Optimizing jointly over the number of slices

M

and the number of independent blocks

N

interpolates between the standard qDrift protocol at long times and a high-precision regime where the query cost grows slower than any power of

1/ε

, without requiring ancillary qubits. Numerical simulations of five molecular Hamiltonians confirm this advantage, with PRHS achieving accuracies two to four orders of magnitude beyond qDrift at equal query cost.

Q

Hamiltonians. We prove that the number of gates necessary to simulate the weighted sum of

Q

Hamiltonians of magnitude

C

during a time

T

with an error less than

ε_0

grows as

\tilde{\mathcal{O}}\left(C^2T^2ε_0^{-1}\right)

R_z

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.