Variational quantum algorithms are promising applications of noisy intermediate-scale quantum (NISQ) computers. These algorithms consist of a number of separate prepare-and-measure experiments that estimate terms in a Hamiltonian. The number of terms can become overwhelmingly large for problems at the scale of NISQ hardware that may soon be available. We approach this problem from the perspective of contextuality, and use unitary partitioning (developed independently by Izmaylov et al. [J. Chem. Theory Comput. 16, 190 (2020)]) to define variational quantum eigensolver procedures in which additional unitary operations are appended to the ansatz preparation to reduce the number of terms. This approach may be scaled to use all coherent resources available after ansatz preparation. We also study the use of asymmetric qubitization to implement the additional coherent operations with lower circuit depth. We investigate this technique for lattice Hamiltonians, random Pauli Hamiltonians, and electronic structure Hamiltonians. Using this technique, we find a constant factor speedup for lattice and random Pauli Hamiltonians. For electronic structure Hamiltonians, we prove that linear term reduction with respect to the number of orbitals, which has been previously observed in numerical studies, is always achievable. For systems represented on 10--30 qubits, we find that there is a reduction in the number of terms by approximately an order of magnitude. Applied to the plane-wave dual basis representation of fermionic Hamiltonians, however, unitary partitioning offers only a constant factor reduction. Finally, we show that noncontextual Hamiltonians may be reduced to effective commuting Hamiltonians using unitary partitioning.
Efficient methods for encoding and compression are likely to pave way towards the problem of efficient trainability on higher dimensional Hilbert spaces overcoming issues of barren plateaus. Here we propose an alternative approach to variational autoencoders to reduce the dimensionality of states represented in higher dimensional Hilbert spaces. To this end we build a variational based autoencoder circuit that takes as input a dataset and optimizes the parameters of Parameterized Quantum Circuit (PQC) ansatz to produce an output state that can be represented as tensor product of 2 subsystems b…
College of Science, China University of Petroleum（中国石油大学理学院）
In this work, we present a quantum neighborhood preserving embedding and a quantum local discriminant embedding for dimensionality reduction and classification. We demonstrate that these two algorithms have an exponential speedup over their respectively classical counterparts. Along the way, we propose a variational quantum generalized eigenvalue solver that finds the generalized eigenvalues and eigenstates of a matrix pencil $(\mathcal{G},\mathcal{S})$. As a proof-of-principle, we implement our algorithm to solve $2^5\times2^5$ generalized eigenvalue problems. Finally, our results offer two o…
Variational hybrid quantum-classical algorithms (VHQCAs) have the potential to be useful in the era of near-term quantum computing. However, recently there has been concern regarding the number of measurements needed for convergence of VHQCAs. Here, we address this concern by investigating the classical optimizer in VHQCAs. We introduce a novel optimizer called individual Coupled Adaptive Number of Shots (iCANS). This adaptive optimizer frugally selects the number of measurements (i.e., number of shots) both for a given iteration and for a given partial derivative in a stochastic gradient desc…
Variational Quantum Algorithms (VQAs) are a promising application for near-term quantum processors, however the quality of their results is greatly limited by noise. For this reason, various error mitigation techniques have emerged to deal with noise that can be applied to these algorithms. Recent work introduced a technique for mitigating expectation values against correlated measurement errors that can be applied to measurements of 10s of qubits. We apply these techniques to VQAs and demonstrate its effectiveness in improving estimates to the cost function. Moreover, we use the data resultin…
One limitation of the variational quantum eigensolver algorithm is the large number of measurement steps required to estimate different terms in the Hamiltonian of interest. Unitary partitioning reduces this overhead by transforming the problem Hamiltonian into one containing fewer terms. We explore two different circuit constructions of the transformation required - one built by a sequence of rotations and the other a linear combination of unitaries (LCU). To assess performance, we simulated chemical Hamiltonians and studied the ground states of H2 and LiH. Both implementations are successful…
We introduce an approach to improve the accuracy and reduce the sample complexity of near term quantum-classical algorithms. We construct a simpler initial parameterized quantum state, or ansatz, based on the past causal cone of each observable, generally yielding fewer qubits and gates. We implement this protocol on a trapped ion quantum computer and demonstrate improvement in accuracy and time-to-solution at an arbitrary point in the variational search space. We report a $\sim 27\%$ improvement in the accuracy of the calculation of the deuteron binding energy and $\sim 40\%$ improvement in t…
Quantum back action imposes fundamental sensitivity limits to the majority of quantum measurements. The effect results from the unavoidable contamination of the measured parameter with the quantum noise of a meter. Back action evading measurements take advantage of the quantum correlations introduced by the system under study to the meter and allow overcoming the fundamental limitations. The measurements are frequently restricted in their bandwidth due to a finite response time of the system components. Here we show that probing a mechanical oscillator with a dichromatic field with frequencies…
Variational Quantum Eigensolver (VQE) is a promising algorithm for near-term quantum machines. It can be used to estimate the ground state energy of a molecule by performing separate measurements of $O(N^4)$ terms. Several recent papers observed that this scaling may be reducible to $O(N^3)$ by partitioning the terms into linear-sized commuting families that can be measured simultaneously. We confirm these empirical observations by studying the MIN-COMMUTING-PARTITION problem at the level of the fermionic Hamiltonian and its encoding into qubits. Moreover, we provide a fast, pre-computable pro…
Variational quantum algorithms are promising tools for near-term quantum computers as their shallow circuits are robust to experimental imperfections. Their practical applicability, however, strongly depends on how many times their circuits need to be executed for sufficiently reducing shot-noise. We consider metric-aware quantum algorithms: variational algorithms that use a quantum computer to efficiently estimate both a matrix and a vector object. For example, the recently introduced quantum natural gradient approach uses the quantum Fisher information matrix as a metric tensor to correct th…
We focus on using an architecture similar to the $β$-Variational Autoencoder ($β$-VAE) to discriminate if a quantum state is entangled or separable based on measurements. We split the data into two sets, the set of local and correlated measurements. Using the latent space, which is a low dimensional representation of the data, we show that restricting ourselves to the set of local data it is not possible to distinguish between entangled and separable states. Meanwhile, when considering both correlated and local measurements, an accuracy of over 80% is attained in the structure of the latent sp…
The contextual subspace variational quantum eigensolver (CS-VQE) is a hybrid quantum-classical algorithm that approximates the ground-state energy of a given qubit Hamiltonian. It achieves this by separating the Hamiltonian into contextual and noncontextual parts. The ground-state energy is approximated by classically solving the noncontextual problem, followed by solving the contextual problem using VQE, constrained by the noncontextual solution. In general, computation of the contextual correction needs fewer qubits and measurements compared with solving the full Hamiltonian via traditional …
Many optimization methods for training variational quantum algorithms are based on estimating gradients of the cost function. Due to the statistical nature of quantum measurements, this estimation requires many circuit evaluations, which is a crucial bottleneck of the whole approach. We propose a new gradient estimation method to mitigate this measurement challenge and reduce the required measurement rounds. Within a Bayesian framework and based on the generalized parameter shift rule, we use prior information about the circuit to find an estimation strategy that minimizes expected statistical…
Recently, an adaptive variational algorithm termed Adaptive Derivative-Assembled Pseudo-Trotter ansatz Variational Quantum Eigensolver (ADAPT-VQE) has been proposed by Grimsley et al. (Nat. Commun. 10, 3007) while the number of measurements required to perform this algorithm scales O(N^8). In this work, we present an efficient adaptive variational quantum solver of the Schrodinger equation based on ADAPT-VQE together with the reduced density matrix reconstruction approach, which reduces the number of measurements from O(N^8) to O(N^4). This new algorithm is quite suitable for quantum simulatio…
Variational quantum eigensolvers (VQEs) combine classical optimization with efficient cost function evaluations on quantum computers. We propose a new approach to VQEs using the principles of measurement-based quantum computation. This strategy uses entagled resource states and local measurements. We present two measurement-based VQE schemes. The first introduces a new approach for constructing variational families. The second provides a translation of circuit-based to measurement-based schemes. Both schemes offer problem-specific advantages in terms of the required resources and coherence tim…
Reducing the dimension of nonlinear data is crucial in data processing and visualization. The locally linear embedding algorithm (LLE) is specifically a representative nonlinear dimensionality reduction method with well maintaining the original manifold structure. In this paper, we present two implementations of the quantum locally linear embedding algorithm (QLLE) to perform the nonlinear dimensionality reduction on quantum devices. One implementation, the linear-algebra-based QLLE algorithm, utilizes quantum linear algebra subroutines to reduce the dimension of the given data. The other impl…
Variance reduction for forces and pressure in variational Monte Carlo
École Polytechnique Fédérale de Lausanne (EPFL)（洛桑联邦理工学院）；CNR-IOM DEMOCRITOS, Istituto Officina dei Materiali（意大利国家研究委员会材料研究所DEMOCRITOS）；SISSA Scuola Internazionale Superiore di Studi Avanzati（国际高等研究院）；Univ. Grenoble Alpes（格勒诺布尔阿尔卑斯大学）
Standard Quantum Limit (SQL) of a classical mechanical force detection results from quantum back action perturbing evolution of a mechanical system. In this paper we show that usage of a multidimensional optical transducer may enable a broadband quantum back action evading measurement. We study a corresponding technique for measurement of a resonant signal force acting on a linear mechanical oscillator coupled to an optical system with three optical modes with separation nearly equal to the mechanical frequency. The measurement is performed by optical pumping of the central optical mode and me…
Under dimensional reduction, a system in D spacetime dimensions will not necessarily yield its D-1-dimensional analog version. Among other things, this result will depend on the boundary conditions and the dimension D of the system. We investigate this question for scalar and abelian gauge fields under boundary conditions that obey the symmetries of the action. We apply our findings to the Casimir piston, an ideal system for detecting boundary effects. Our investigation is not limited to extra dimensions and we show that the original piston scenario proposed in 2004, a toy model involving a sc…
Standard Quantum Limit (SQL) of a classical mechanical force detection results from quantum back action impinged by the meter on a probe mechanical transducer perturbed by the force of interest. In this paper we introduce a technique of continuous \vy{broadband} back action avoiding measurements for the case of a resonant signal force acting on a linear mechanical oscillator supporting one of mirrors of an optical Michelson-Sagnac Interferometer (MSI). The interferometer with the movable mirror is an opto-mechanical transducer able to support polychromatic probe field. The method involves a di…
A broad class of hybrid quantum-classical algorithms known as "variational algorithms" have been proposed in the context of quantum simulation, machine learning, and combinatorial optimization as a means of potentially achieving a quantum speedup on a near-term quantum device for a problem of practical interest. Such algorithms use the quantum device only to prepare parameterized quantum states and make simple measurements. A classical controller uses the measurement results to perform an optimization of a classical function induced by a quantum observable which defines the problem. While most…
To obtain estimates of electronic energies, the Variational Quantum Eigensolver (VQE) technique performs separate measurements for multiple parts of the system Hamiltonian. Current quantum hardware is restricted to projective single-qubit measurements, and thus, only parts of the Hamiltonian which form mutually qubit-wise commuting groups can be measured simultaneously. The number of such groups in the electronic structure Hamiltonians grows as $N^4$, where $N$ is the number of qubits, and thus puts serious restrictions on the size of the systems that can be studied. Using a partitioning of th…
Solving the electronic structure problem using the Variational Quantum Eigensolver (VQE) technique involves measurement of the Hamiltonian expectation value. Current hardware can perform only projective single-qubit measurements, and thus, the Hamiltonian expectation value is obtained by measuring parts of the Hamiltonian rather than the full Hamiltonian. This restriction makes the measurement process inefficient because the number of terms in the Hamiltonian grows as $O(N^4)$ with the size of the system, $N$. To optimize VQE measurement one can try to group as many Hamiltonian terms as possib…
We revisit the problem of preparing a mechanical oscillator in the vicinity of its quantum-mechanical ground state by means of feedback cooling based on continuous optical detection of the oscillator position. In the parameter regime relevant to ground state cooling, the optical back-action and imprecision noise set the bottleneck of achievable cooling and must be carefully balanced. This can be achieved by adapting the phase of the local oscillator in the homodyne detection realizing a so-called variational measurement. The trade-off between accurate position measurement and minimal disturban…
Current implementations of the Variational Quantum Eigensolver (VQE) technique for solving the electronic structure problem involve splitting the system qubit Hamiltonian into parts whose elements commute within their single qubit subspaces. The number of such parts rapidly grows with the size of the molecule, this increases the uncertainty in the measurement of the energy expectation value because elements from different parts need to be measured independently. To address this problem we introduce a more efficient partitioning of the qubit Hamiltonian using fewer parts that need to be measure…
This paper presents the geometric setting of quantum variational principles and extends it to comprise the interaction between classical and quantum degrees of freedom. Euler-Poincaré reduction theory is applied to the Schrödinger, Heisenberg and Wigner-Moyal dynamics of pure states. This construction leads to new variational principles for the description of mixed quantum states. The corresponding momentum map properties are presented as they arise from the underlying unitary symmetries. Finally, certain semidirect-product group structures are shown to produce new variational principles for D…
Measuring the expectation value of the molecular electronic Hamiltonian is one of the challenging parts of the variational quantum eigensolver. A widely used strategy is to express the Hamiltonian as a sum of measurable fragments using fermionic operator algebra. Such fragments have an advantage of conserving molecular symmetries that can be used for error mitigation. The number of measurements required to obtain the Hamiltonian expectation value is proportional to a sum of fragment variances. Here, we introduce a new method for lowering the fragments' variances by exploiting flexibility in th…
Measuring quantum observables by grouping terms that can be rotated to sums of only products of Pauli $\hat z$ operators (Ising form) is proven to be efficient in near term quantum computing algorithms. This approach requires extra unitary transformations to rotate the state of interest so that the measurement of a fragment's Ising form would be equivalent to measurement of the fragment for the unrotated state. These extra rotations allow one to perform a fewer number of measurements by grouping more terms into the measurable fragments with a lower overall estimator variance. However, previous…
Rydberg atom arrays are programmable quantum simulators capable of preparing interacting qubit systems in a variety of quantum states. Due to long experimental preparation times, obtaining projective measurement data can be relatively slow for large arrays, which poses a challenge for state reconstruction methods such as tomography. Today, novel groundstate wavefunction ansätze like recurrent neural networks (RNNs) can be efficiently trained not only from projective measurement data, but also through Hamiltonian-guided variational Monte Carlo (VMC). In this paper, we demonstrate how pretrainin…
