One promising application of near-term quantum devices is to prepare trial wave functions using short circuits for solving different problems via variational algorithms. For this purpose, we introduce a circuit design that combines graph-based diagonalization circuits with arbitrary single-qubit rotation gates to get a Hamiltonian-based graph states ansatz. We test the accuracy of the proposed ansatz in estimating ground-state energies of various molecules of size up to 12 qubits. Additionally, we compare the gate count and parameter number complexity of the proposed ansatz against previously proposed schemes and find an order magnitude reduction in gate count complexity with a slight increase in the number of parameters. Our work represents a significant step towards constructing compact quantum circuits with good trainability and convergence properties and applications in solving chemistry and physics problems.
One promising application of near-term quantum devices is to prepare trial wave functions using short circuits for solving different problems via variational algorithms. For this purpose, we introduce a circuit design that combines graph-based diagonalization circuits with arbitrary single-qubit rotation gates to get a Hamiltonian-based graph states ansatz. We test the accuracy of the proposed ansatz in estimating ground-state energies of various molecules of size up to 12 qubits. Additionally, we compare the gate count and parameter number complexity of the proposed ansatz against previously proposed schemes and find an order magnitude reduction in gate count complexity with a slight increase in the number of parameters. Our work represents a significant step towards constructing compact quantum circuits with good trainability and convergence properties and applications in solving chemistry and physics problems.
The preparation of quantum states using short quantum circuits is one of the most promising near-term applications of small quantum computers, especially if the circuit is short enough and the fidelity of gates high enough that it can be executed without quantum error correction. Such quantum state preparation can be used in variational approaches, optimizing parameters in the circuit to minimize the energy of the constructed quantum state for a given problem Hamiltonian. For this purpose we propose a simple-to-implement class of quantum states motivated by adiabatic state preparation. We test its accuracy and determine the required circuit depth for a Hubbard model on ladders with up to 12 sites (24 spin orbitals), and for small molecules. We find that this ansatz converges faster than previously proposed schemes based on unitary coupled clusters. While the required number of measurements is astronomically large for quantum chemistry applications to molecules, applying the variational approach to the Hubbard model (and related models) is found to be far less demanding and potentially practical on small quantum computers. We also discuss another application of quantum state preparation using short quantum circuits, to prepare trial ground states of models faster than using adiabatic state preparation.
The variational quantum eigensolver (VQE), which is a quantum–classical hybrid approach, has latent powers to leverage near-term quantum devices by effectively managing a limited number of qubits with finite coherent lifetimes. While it is generally argued that the quantum approximate optimization algorithm (QAOA), which is a special case of VQE with a variational Ansatz based on the adiabatic theorem, may enable practical applications of noisy quantum devices for classical combinatorial optimizations, the strategy to improve the performance of this algorithm by increasing the circuit depth conflicts with the limited coherence time of near-term quantum devices. Here, we introduce strategies involving the VQE to reduce the circuit resources required for solving combinatorial optimizations. Our concept of a parameterized quantum circuit allows the Ansatz preparation to be achieved by only single-qubit operation. We find that the variational Ansatz without controlled X-gates leads to quick convergence in a classical subroutine used to determine the variational parameters. In addition, the variational Ansatz with optimized parameters maintains performance over the problem sizes both on the numerical simulation and IBM 27-qubit processor “ibm_kawasaki.” Therefore, the variational Ansatz introduced in this study has several advantages considering the total calculation time and performance scaling over the problem sizes. We also show that the variational Ansatz consisting of a lower number of gate operations than that of QAOA can approximate the eigenstates of diagonal Hamiltonians with high accuracy. We illustrate our ideas with a maximum-cut problem and show that near-term quantum applications may be feasible using short-depth circuits.
Quantum computers promise a great computational advantage over classical computers, which might help solve various computational challenges such as the simulation of complicated quantum systems, finding optimum in large optimization problems, and solving large-scale linear algebra problems. Current available quantum devices have only a limited amount of qubits and a high level of noise, limiting the size of problems that can be solved accurately with those devices. Variational quantum algorithms (VQAs) have emerged as a leading strategy to address these limitations by optimizing cost function based on measurement results of shallow depth circuits. Recently, various pulse engineering methods were suggested in order to improve VQA results, including optimizing pulse parameters instead of gate angles as part of the VQA optimization process. In this paper, we suggest a novel pulse-based ansatz, which is parameterized mainly by pulses’ duration of pre-defined pulse structures. This ansatz structure provides relatively low amounts of optimization parameters while maintaining high expressibility, allowing fast convergence. In addition, the ansatz has structured adaptivity to the entanglement level required by the problem, allowing low noise and accurate results. We tested this ansatz against quantum chemistry problems. Specifically, finding the ground-state energy associated with the electron configuration problem, using the variational quantum eigensolver (VQE) algorithm for several different molecules. We manage to achieve chemical accuracy both in simulation for several molecules and on one of IBM’s NISQ devices for the H2 molecule in the STO-3G basis, without the need for extensive error mitigation. Our results are compared to a common gate-based ansatz and show better accuracy and significant latency reduction—up to 7× shorter ansatz schedules.
Variational quantum algorithms have been a promising candidate to utilize near-term quantum devices to solve real-world problems. The powerfulness of variational quantum algorithms is ultimately determined by the expressiveness of the underlying quantum circuit ansatz for a given problem. In this work, we propose a sequentially generated circuit ansatz, which naturally adapts to 1D, 2D, 3D quantum many-body problems. Specifically, in 1D our ansatz can efficiently generate any matrix product states with a fixed bond dimension, while in 2D our ansatz generates the string-bond states. As applications, we demonstrate that our ansatz can be used to accurately reconstruct unknown pure and mixed quantum states which can be represented as matrix product states, and that our ansatz is more efficient compared to several alternatives in finding the ground states of some prototypical quantum many-body systems as well as quantum chemistry systems, in terms of the number of quantum gate operations.
Universal fault-tolerant quantum computers will require error-free execution of long sequences of quantum gate operations, which is expected to involve millions of physical qubits. Before the full power of such machines will be available, near-term quantum devices will provide several hundred qubits and limited error correction. Still, there is a realistic prospect to run useful algorithms within the limited circuit depth of such devices. Particularly promising are optimization algorithms that follow a hybrid approach: the aim is to steer a highly entangled state on a quantum system to a target state that minimizes a cost function via variation of some gate parameters. This variational approach can be used both for classical optimization problems as well as for problems in quantum chemistry. The challenge is to converge to the target state given the limited coherence time and connectivity of the qubits. In this context, the quantum volume as a metric to compare the power of near-term quantum devices is discussed. With focus on chemistry applications, a general description of variational algorithms is provided and the mapping from fermions to qubits is explained. Coupled-cluster and heuristic trial wave-functions are considered for efficiently finding molecular ground states. Furthermore, simple error-mitigation schemes are introduced that could improve the accuracy of determining ground-state energies. Advancing these techniques may lead to near-term demonstrations of useful quantum computation with systems containing several hundred qubits.
In recent years, the Variational Quantum Eigensolver (VQE) has emerged as one of the most popular algorithms for solving the electronic structure problem on near-term quantum computers. The utility of VQE is often hindered by the limitations of current quantum hardware, including, but not limited to, short qubit coherence times and low gate fidelities. These limitations become particularly pronounced when VQE is used along with deep quantum circuits, such as those required by the ”Unitary Coupled Cluster Singles and Doubles” (UCCSD) ansatz, often resulting in significant errors. To address these issues, we propose a low-depth ansatz based on parallelized Givens rotations, which can recover substantial correlation energy while drastically reducing circuit depth and two-qubit gate counts for an arbitrary active space (AS). Also, considering the current hardware architectures with low qubit counts, we introduce a systematic way to select molecular orbitals to define active spaces (ASs) that retain significant electron correlation. We validate our approach by computing bond dissociation profiles of water and strongly correlated systems, such as molecular nitrogen and oxygen, across various ASs. Noiseless simulations using the new ansatz yield ground-state energies comparable to those from the UCCSD ansatz while reducing circuit depth by 50–70%. Moreover, in noisy simulations, our approach achieves energy error rates an order of magnitude lower than that of UCCSD. Considering the efficiency and practical usage of our ansatz, we hope that it becomes a potential choice for performing quantum chemistry calculations on near-term quantum devices.