Quantum simulation represents a cornerstone application for quantum computers, offering the potential to solve classically intractable problems in physics, chemistry, and materials science. Despite being one of the most accessible simulation methods, the product formula encounters challenges due to the pessimistic gate count estimation. In this work, we elucidate how observable knowledge can accelerate quantum simulations. By focusing on specific knowledge of observables, we reduce product-formula simulation errors and gate counts in both short-time and arbitrary-time scenarios. For short-time simulations, we deliberately design and tailor product formulas to achieve size-independent errors for local and certain global observables. In arbitrary-time simulations, we reveal that Pauli-summation structured observables generally reduce average errors with a typically quadratic error reduction. Our advanced error analyses, supported by numerical studies, indicate improved gate count estimation. We anticipate that the explored speed-ups can pave the way for efficiently realizing quantum simulations and demonstrating advantages on near-term quantum devices. The promise of quantum simulation is challenged by resource estimates that far exceed the capabilities of current devices. This work shows that tailoring simulations, especially product-formula methods, to the specific observable being measured provides significant speed-ups, including size-independent errors and quadratic reductions in gate counts.
Quantum simulation represents a cornerstone application for quantum computers, offering the potential to solve classically intractable problems in physics, chemistry, and materials science. Despite being one of the most accessible simulation methods, the product formula encounters challenges due to the pessimistic gate count estimation. In this work, we elucidate how observable knowledge can accelerate quantum simulations. By focusing on specific knowledge of observables, we reduce product-formula simulation errors and gate counts in both short-time and arbitrary-time scenarios. For short-time simulations, we deliberately design and tailor product formulas to achieve size-independent errors for local and certain global observables. In arbitrary-time simulations, we reveal that Pauli-summation structured observables generally reduce average errors with a typically quadratic error reduction. Our advanced error analyses, supported by numerical studies, indicate improved gate count estimation. We anticipate that the explored speed-ups can pave the way for efficiently realizing quantum simulations and demonstrating advantages on near-term quantum devices. The promise of quantum simulation is challenged by resource estimates that far exceed the capabilities of current devices. This work shows that tailoring simulations, especially product-formula methods, to the specific observable being measured provides significant speed-ups, including size-independent errors and quadratic reductions in gate counts.
With quantum computers on the horizon, it is essential to understand what problems they can be used to solve. One potential application is simulating quantum systems, in particular, systems with many interacting electrons. However, there is a disparity between the computational resources required to study these problems and the capabilities of modern experimental quantum devices. In this thesis, we make progress toward closing this gap by reducing the cost of quantum simulation of quantum chemistry on a number of fronts. In the first half, we develop three improved quantum simulation algorithms by approximating time evolution under the Hamiltonian using a truncated Taylor series rather than the Trotter-Suzuki decomposition. We do this first for the molecular electronic structure Hamiltonian in two representations, obtaining asymptotic improvements in terms of both the number of orbitals and the required precision. We also apply the truncated Taylor series paradigm to quantum simulation in real space, where we consider simulation of general wave functions discretized on a uniform grid. In the second half, by working with Hamiltonians tailored specifically to quantum algorithms, we demonstrate that Trotter steps of the electronic structure Hamiltonian can be simulated in exactly N depth and with only linear connectivity, where N is the number of spin-orbitals. This resolves the problem of non-locality in fermion-to-qubit mappings, and has wide-ranging applications for variational and phase estimation-based quantum simulation of quantum chemistry. We further study this algorithm on an error-corrected quantum computer using the surface code. Benchmarking it alongside other product formula approaches, we show that quantum simulation of scientifically important instances of the electronic structure problem that are classically intractable can be performed with only a few hundred thousand physical qubits and fewer than one billion costly fault-tolerant gates. Finally, we study the effect of using randomized Hamiltonians in iterative phase estimation, and how this allows us to reduce the costs of simulation as well as to exploit knowledge of the ground state in how we design our simulation algorithm.
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. This work provides a comprehensive analysis of 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 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. If the observable is also fixed, the same random evolution provides an even shorter product formula. The proofs depend on concentration inequalities for vector and matrix martingales. Numerical experiments verify the theoretical predictions.
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.
Simulating the Hamiltonian dynamics of quantum systems is one of the most promising applications of digital quantum computers. In this dissertation, we develop an understanding of quantum simulation algorithms concerning their design, analysis, implementation, and application. We implement three leading simulation algorithms, employing diverse techniques to tighten their error analyses and optimize circuit implementations. We produce concrete resource estimates for simulating a Heisenberg spin system, a problem arising in condensed matter physics that is otherwise difficult to solve on a classical computer. The resulting circuits are orders of magnitude smaller than those for the simplest classically-infeasible instances of factoring and quantum chemistry, suggesting the simulation of spin systems as a promising candidate for an early demonstration of practical quantum computation. We design new simulation algorithms by using classical randomness. We show that by simply randomizing how the terms in the Hamiltonian are ordered, one can prove stronger bounds for product formulas and thereby give more efficient quantum simulations. We also develop a classical sampler for time-dependent Hamiltonians, using which we give a simulation algorithm that substantially improves over previous approaches when the Hamiltonian varies significantly with time. We propose a general theory to analyzing product formulas, an approach to quantum simulation widely used in experimental demonstrations but whose error scaling was poorly understood. Our approach directly exploits the commutativity of Hamiltonian, overcoming the limitations of prior error analyses. We prove new speedups of product formulas for simulating many quantum systems, including simulations of nearest-neighbor lattice systems, second-quantized plane-wave electronic structure, k-local Hamiltonians, rapidly decaying power-law interactions, and clustered Hamiltonians, nearly matching or even outperforming the best previous results in quantum simulation. We accompany our analysis with numerical calculation, which suggests that the bounds also have nearly tight constant prefactors. We identify applications of quantum simulation to designing other quantum algorithms and improving quantum Monte Carlo methods. We develop an algorithmic framework ``quantum singular value transformation'' using techniques from quantum simulation and apply it to implement principal component regression. We also apply our new analysis of product formulas and obtain improved quantum Monte Carlo simulations of the transverse field Ising model and quantum ferromagnets.
Quantum simulation, the simulation of quantum processes on quantum computers, suggests a path forward for the efficient simulation of problems in condensed-matter physics, quantum chemistry, and materials science. While the majority of quantum simulation algorithms are deterministic, a recent surge of ideas has shown that randomization can greatly benefit algorithmic performance. In this work, we introduce a scheme for quantum simulation that unites the advantages of randomized compiling on the one hand and higher-order multi-product formulas, as they are used for example in linear-combination-of-unitaries (LCU) algorithms or quantum error mitigation, on the other hand. In doing so, we propose a framework of randomized sampling that is expected to be useful for programmable quantum simulators and present two new multi-product formula algorithms tailored to it. Our framework reduces the circuit depth by circumventing the need for oblivious amplitude amplification required by the implementation of multi-product formulas using standard LCU methods, rendering it especially useful for early quantum computers used to estimate the dynamics of quantum systems instead of performing full-fledged quantum phase estimation. Our algorithms achieve a simulation error that shrinks exponentially with the circuit depth. To corroborate their functioning, we prove rigorous performance bounds as well as the concentration of the randomized sampling procedure. We demonstrate the functioning of the approach for several physically meaningful examples of Hamiltonians, including fermionic systems and the Sachdev–Ye–Kitaev model, for which the method provides a favorable scaling in the effort.
Quantum simulation suggests a path forward for the efficient simulation of problems in condensed-matter physics, quantum chemistry and materials science. While the majority of quantum simulation algorithms is deterministic, a recent surge of ideas has shown that randomization can greatly benefit algorithmic performance. In this work, we introduce a scheme for quantum simulation that unites the advantages of randomized compiling and higher-order multi-product formulas as they are used in linear-combination-of-unitaries (LCU) algorithms. In doing so, we propose a framework of randomized sampling that could prove useful for programmable quantum simulators and present two new algorithms tailored to it. Our framework greatly reduces the circuit depth by circumventing the need for oblivious amplitude amplification required by standard LCU methods, rendering it especially useful for near-term quantum computing. Our algorithms achieve a simulation error that shrinks exponentially with the circuit depth. To corroborate their functioning, we prove rigorous performance bounds as well as the concentration of the randomized sampling procedure. We also discuss examples at hand of a Hamiltonian comprising pairwise anticommuting terms.