Real- and imaginary-time quantum state evolutions are crucial in physics and chemistry for exploring quantum dynamics, preparing ground states, and computing thermodynamic observables. On near-term devices, variational quantum time evolution is a promising candidate for these tasks, as the required circuit model can be tailored to the available devices' capabilities. Due to the evaluation of the quantum geometric tensor (QGT), however, this approach quickly becomes infeasible for relevant system sizes. Here, we propose a dual formulation for variational time evolution, which replaces the calculation of the QGT by solving a fidelity-based optimization to compute updates to the dynamics in each time step. We demonstrate our algorithm for the time evolution of the Heisenberg Hamiltonian and show that it accurately reproduces the system dynamics at a fraction of the cost of standard variational quantum time evolution algorithms. Published by the American Physical Society 2024
Real- and imaginary-time quantum state evolutions are crucial in physics and chemistry for exploring quantum dynamics, preparing ground states, and computing thermodynamic observables. On near-term devices, variational quantum time evolution is a promising candidate for these tasks, as the required circuit model can be tailored to the available devices' capabilities. Due to the evaluation of the quantum geometric tensor (QGT), however, this approach quickly becomes infeasible for relevant system sizes. Here, we propose a dual formulation for variational time evolution, which replaces the calculation of the QGT by solving a fidelity-based optimization to compute updates to the dynamics in each time step. We demonstrate our algorithm for the time evolution of the Heisenberg Hamiltonian and show that it accurately reproduces the system dynamics at a fraction of the cost of standard variational quantum time evolution algorithms. Published by the American Physical Society 2024
The imaginary-time evolution of quantum states is integral to various fields, ranging from natural sciences to classical optimization or machine learning. Since simulating quantum imaginary-time evolution generally requires storing an exponentially large wave function, quantum computers are emerging as a promising platform for this task. However, variational approaches, suitable for near-term quantum computers, struggle with a prohibitive number of measurements and impractical runtimes for relevant system sizes. Here, we suggest a stochastic approach to variational quantum imaginary-time evolution, which allows a significant reduction in runtimes. Our approach allows trading off invested resources and accuracy, which makes it also suitable for ground state preparation, where simulating the exact dynamics is not required. We demonstrate the efficiency of our algorithm in simulations and show a hardware experiment performing the imaginary-time evolution of the transverse field Ising model on 27 qubits.
Preparing ground states of correlated molecules on near-term quantum computers requires algorithms that are both accurate and resource-efficient. We introduce the qubit-adaptive variational quantum imaginary time evolution (QAITE) algorithm, which synthesizes the systematic convergence of imaginary-time evolution with hardware-efficient, adaptive ansatz construction. By integrating the linear-scaling qubit operator pool into the adaptive variational quantum imaginary time evolution framework, QAITE deterministically constructs a compact ansatz without costly classical optimization loops. Numerical simulations for molecular systems (H4, LiH, H2O, BeH2), benchmarked against our own implementations of established adaptive algorithms under identical conditions, show that QAITE achieves chemical accuracy with a 15-45% reduction in CNOT gates compared to the standard adaptive variational quantum imaginary time evolution (AVQITE) method. For hydrogen chains (RHH = 1.5 Å, N = 6-16 qubits), QAITE's circuit complexity grows approximately quadratically and remains the lowest of the four methods at every system size, reaching 31% fewer CNOT gates than AVQITE at 16 qubits─a saving of 1322 gates. This efficiency extends to heterogeneous (LiH)n and (HBe)n chains, where QAITE maintains a CNOT gate ratio below 1 for all sizes studied (e.g., 0.81 for (LiH)2). We further show that the deterministic parameter update is numerically robust: the results are insensitive to the regularization of the quantum geometric tensor over at least 4 orders of magnitude, and chemical accuracy is retained under realistic shot noise applied to both the quantum geometric tensor and the force vector. By outperforming established adaptive algorithms in both absolute gate count and scaling, QAITE establishes a promising, scalable pathway for quantum molecular simulations on noisy intermediate-scale quantum devices.
We propose an adaptive quantum algorithm to prepare accurate variational time evolved wave functions. The method is based on the projected variational quantum dynamics (pVQD) algorithm, that performs a global optimization with linear scaling in the number of variational parameters. Instead of fixing a variational ansatz at the beginning of the simulation, the circuit is grown systematically during the time evolution. Moreover, the adaptive step does not require auxiliary qubits and the gate search can be performed in parallel on different quantum devices. We apply the algorithm, named adaptive pVQD, to the simulation of driven spin models and fermionic systems, where it shows an advantage when compared to both Trotterized circuits and nonadaptive variational methods. Finally, we use the shallower circuits prepared using the adaptive pVQD algorithm to obtain more accurate measurements of physical properties of quantum systems on hardware. Published by the American Physical Society 2024
Abstract Variational quantum imaginary time evolution (VQITE) is a leading technique for ground state preparation on quantum computers. A significant computational challenge of VQITE is the determination of the quantum geometric tensor. We show that requiring the imaginary-time evolution to be correct only when projected onto a chosen set of operators allows to achieve a twofold reduction in circuit depth by bypassing fidelity estimations, and reduces measurement complexity from quadratic to linear in the number of parameters. We demonstrate by a simulation of the transverse-field Ising model that our algorithm achieves a several orders of magnitude improvement in the number of measurements required for the same accuracy.
The advent of near-term digital quantum computers could offer us an exciting opportunity to investigate quantum many-body phenomena beyond that of classical computing. To make the best use of the hardware available, it is paramount that we have methods that accurately simulate Hamiltonian dynamics for limited circuit depths. In this paper, we propose a method to classically optimize unitary brickwall circuits to approximate quantum time evolution operators. Our method is scalable in system size through the use of tensor networks. We demonstrate that, for various three-body Hamiltonians, our approach produces quantum circuits that can outperform trotterization in both their accuracy and the quantum circuit depth needed to implement the dynamics, with the exact details being dependent on the Hamiltonian. We also explain how to choose an optimal time step that minimizes the combined errors of the quantum device and the brickwall circuit approximation. Published by the American Physical Society 2024
Quantum computing not only holds the potential to solve long-standing problems in quantum physics, but also to offer speed-ups across a broad spectrum of other fields. Access to a computational space that incorporates quantum effects, such as superposition and entanglement, enables the derivation of promising quantum algorithms for important tasks, including preparing the ground state of a quantum system or predicting its evolution over time. Successfully tackling these tasks promises insights into significant theoretical and technological questions, such as superconductivity and the design of new materials. The aim of quantum algorithms is to use a series of quantum operations in a quantum circuit to solve a problem beyond the reach of classical computers. However, the noise and limited scale of current quantum computers restricts these circuits to moderate sizes and depths. As a result, many prominent algorithms are currently infeasible to run for problem sizes of practical interest. In response, recent research focused on variational quantum algorithms, which allow the selection of circuits that act within a quantum device's capabilities. Yet, these algorithms can require the execution of a large number of circuits, leading to prohibitively long computation times. This doctoral thesis develops two main techniques to reduce these quantum computational resource requirements, with the goal of scaling up application sizes on current quantum processors. The first approach is based on stochastic approximations of computationally costly quantities, such as quantum circuit gradients or the quantum geometric tensor (QGT). The second method takes a different perspective on the QGT, leading to a potentially more efficient description of time evolution on current quantum computers. Both techniques rely on maintaining available information and only computing necessary corrections, instead of re-computing possibly redundant data. The main focus of application for our algorithms is the simulation of quantum systems, broadly defined as including the preparation of ground and thermal states, and the real- and imaginary-time propagation of a system. The developed subroutines, however, can further be utilized in the fields of optimization or machine learning. Our algorithms are benchmarked on a range of representative models, such as Ising or Heisenberg spin models, both in numerical simulations and experiments on the hardware. In combination with error mitigation techniques, the latter is scaled up to 27 qubits; into a regime that variational quantum algorithms are challenging to scale to on noisy quantum computers without our algorithms.