Dynamical quantum simulation may be one of the first applications to see quantum advantage. However, the circuit depth of standard Trotterization methods can rapidly exceed the coherence time of noisy quantum computers. This has led to recent proposals for variational approaches to dynamical simulation. In this work, we aim to make variational dynamical simulation even more practical and near-term. We propose a new algorithm called Variational Hamiltonian Diagonalization (VHD), which approximately transforms a given Hamiltonian into a diagonal form that can be easily exponentiated. VHD allows for fast forwarding, i.e., simulation beyond the coherence time of the quantum computer with a fixed-depth quantum circuit. It also removes Trotterization error and allows simulation of the entire Hilbert space. We prove an operational meaning for the VHD cost function in terms of the average simulation fidelity. Moreover, we prove that the VHD cost function does not exhibit a shallow-depth barren plateau, i.e., its gradient does not vanish exponentially. Our proof relies on locality of the Hamiltonian, and hence we connect locality to trainability. Our numerical simulations verify that VHD can be used for fast-forwarding dynamics.
Dynamical quantum simulation may be one of the first applications to see quantum advantage. However, the circuit depth of standard Trotterization methods can rapidly exceed the coherence time of noisy quantum computers. This has led to recent proposals for variational approaches to dynamical simulation. In this work, we aim to make variational dynamical simulation even more practical and near-term. We propose a new algorithm called Variational Hamiltonian Diagonalization (VHD), which approximately transforms a given Hamiltonian into a diagonal form that can be easily exponentiated. VHD allows for fast forwarding, i.e., simulation beyond the coherence time of the quantum computer with a fixed-depth quantum circuit. It also removes Trotterization error and allows simulation of the entire Hilbert space. We prove an operational meaning for the VHD cost function in terms of the average simulation fidelity. Moreover, we prove that the VHD cost function does not exhibit a shallow-depth barren plateau, i.e., its gradient does not vanish exponentially. Our proof relies on locality of the Hamiltonian, and hence we connect locality to trainability. Our numerical simulations verify that VHD can be used for fast-forwarding dynamics.
Abstract Trotterization-based, iterative approaches to quantum simulation (QS) are restricted to simulation times less than the coherence time of the quantum computer (QC), which limits their utility in the near term. Here, we present a hybrid quantum-classical algorithm, called variational fast forwarding (VFF), for decreasing the quantum circuit depth of QSs. VFF seeks an approximate diagonalization of a short-time simulation to enable longer-time simulations using a constant number of gates. Our error analysis provides two results: (1) the simulation error of VFF scales at worst linearly in the fast-forwarded simulation time, and (2) our cost function’s operational meaning as an upper bound on average-case simulation error provides a natural termination condition for VFF. We implement VFF for the Hubbard, Ising, and Heisenberg models on a simulator. In addition, we implement VFF on Rigetti’s QC to demonstrate simulation beyond the coherence time. Finally, we show how to estimate energy eigenvalues using VFF.
Abstract Simulating quantum dynamics is expected to be performed more easily on a quantum computer than on a classical computer. However, the currently available quantum devices lack the capability to implement fault-tolerant quantum algorithms for quantum simulation. Hybrid classical quantum algorithms such as the variational quantum algorithms have been proposed to effectively use current term quantum devices. One promising approach to quantum simulation in the noisy intermediate-scale quantum (NISQ) era is the diagonalisation based approach, with some of the promising examples being the subspace variational quantum simulator (SVQS), variational fast forwarding (VFF), fixed-state variational fast forwarding (fs-VFF), and the variational Hamiltonian diagonalisation (VHD) algorithms. However, these algorithms require a feedback loop between the classical and quantum computers, which can be a crucial bottleneck in practical application. Here, we present the classical quantum fast forwarding (CQFF) as an alternative diagonalisation based algorithm for quantum simulation. CQFF shares some similarities with SVQS, VFF, fs-VFF and VHD but removes the need for a classical-quantum feedback loop and controlled multi-qubit unitaries. The CQFF algorithm does not suffer from the barren plateau problem and the accuracy can be systematically increased. Furthermore, if the Hamiltonian to be simulated is expressed as a linear combination of tensored-Pauli matrices, the CQFF algorithm reduces to the task of sampling some many-body quantum state in a set of Pauli-rotated bases, which is easy to do in the NISQ era. We run the CQFF algorithm on existing quantum processors and demonstrate the promise of the CQFF algorithm for current-term quantum hardware. We compare CQFF with Trotterization for a XY spin chain model Hamiltonian and find that the CQFF algorithm can simulate the dynamics more than 10 5 times longer than Trotterization on current-term quantum hardware. This provides a 10 4 times improvement over the previous record.
Abstract Publicly accessible quantum computers open the exciting possibility of experimental dynamical quantum simulations. While rapidly improving, current devices have short coherence times, restricting the viable circuit depth. Despite these limitations, we demonstrate long-time, high fidelity simulations on current hardware. Specifically, we simulate an XY-model spin chain on Rigetti and IBM quantum computers, maintaining a fidelity over 0.9 for 150 times longer than is possible using the iterated Trotter method. Our simulations use an algorithm we call fixed state Variational Fast Forwarding (fsVFF). Recent work has shown an approximate diagonalization of a short time evolution unitary allows a fixed-depth simulation. fsVFF substantially reduces the required resources by only diagonalizing the energy subspace spanned by the initial state, rather than over the total Hilbert space. We further demonstrate the viability of fsVFF through large numerical simulations, and provide an analysis of the noise resilience and scaling of simulation errors.
Implementing time-evolution operators in shallow quantum circuits is important for quantum simulations. The standard method of Trotterization requires a large number of gates to achieve practical accuracy. Variational Quantum Simulation (VQS) is an algorithm that calculates the time evolution of a quantum state and can be executed with shallower circuits than Trotterization. However, the operator obtained by VQS evolves only a fixed initial state and is not the time evolution operator itself. In this paper, we propose Variational Quantum Operator Simulation (VQOS), a method to realize time evolution operators in shallow quantum circuits. This method is based on the variational principle for operators and does not require the implementation of the desired Trotter decomposition of the time evolution operator. We performed numerical simulations of the VQOS algorithm and successfully implemented the time evolution operator for closed systems in a quantum circuit that is up to 5 times shallower than the Trotterization. By providing a more practical way to implement time evolution operators, VQOS increases the applicability of near-term quantum computers.
Moderate-size quantum computers are now publicly accessible over the cloud, opening the exciting possibility of performing dynamical simulations of quantum systems. However, while rapidly improving, these devices have short coherence times, limiting the depth of algorithms that may be successfully implemented. Here we demonstrate that, despite these limitations, it is possible to implement long-time, high fidelity simulations on current hardware. Specifically, we simulate an XY-model spin chain on the Rigetti and IBM quantum computers, maintaining a fidelity of at least 0.9 for over 600 time steps. This is a factor of 150 longer than is possible using the iterated Trotter method. Our simulations are performed using a new algorithm that we call the fixed state Variational Fast Forwarding (fsVFF) algorithm. This algorithm decreases the circuit depth and width required for a quantum simulation by finding an approximate diagonalization of a short time evolution unitary. Crucially, fsVFF only requires finding a diagonalization on the subspace spanned by the initial state, rather than on the total Hilbert space as with previous methods, substantially reducing the required resources. We further demonstrate the viability of fsVFF through large numerical implementations of the algorithm, as well as an analysis of its noise resilience and the scaling of simulation errors.
Dynamical simulation of quantum many-body systems is a central task in quantum chemistry and requires efficient wavefunction representations. Although tensor-network and neural-network quantum states have achieved considerable success in ground-state calculations, entanglement growth hinders their application to quantum dynamics. Quantum computing may offer a route to quantum advantage, but algorithms such as Trotterization generally require fault-tolerant quantum computers, whereas near-term hardware supports only limited circuit sizes. Variational quantum simulation (VQS) instead represents the evolving state with a single shallow, fixed-size parameterized quantum circuit (PQC). Here, we introduce nonorthogonal variational quantum simulation (NOVQS), which applies linear combinations of parameterized quantum states to real- and imaginary-time evolutions. We design a shallow, hardware-friendly ansatz tailored to second-quantized electronic-structure Hamiltonians, together with resource-efficient protocols for measuring the matrices and vectors in the parameter equations of motion. Error analysis and resource estimation are also provided. Numerical simulations of hydrogen chains and the nitrogen molecule demonstrate that a collection of shallow, or even single-layer, PQCs can match or outperform a much deeper PQC in VQS. In particular, we identify a trade-off between circuit number and depth. NOVQS therefore provides a flexible route to enhancing wavefunction expressivity under circuit-depth constraints, making it a promising framework for quantum dynamics simulations on near-term quantum processors.