Variational Quantum Algorithms Research Articles

Sequential optimal selections of single-qubit gates in parameterized quantum circuits

In variational quantum algorithms, it is important to balance conflicting requirements of expressibility and trainability of a parameterized quantum circuit (PQC). However, appropriate PQC designs are not necessarily trivial. Here, we propose an algorithm for optimizing the PQC structure, where single-qubit gates are sequentially replaced by the optimal ones via diagonalization of a matrix whose elements are evaluated on slightly modified circuits. This replacement leads to a better approximation of target states with limited circuit depth. Furthermore, we clarify the existence of a barren plateau in the sequential optimization in terms of the spectrum concentration of the matrix, which defines the cost landscape with respect to changes in the target gate. Then, we rigorously show the concentration is no faster than polynomials in the number of qubits when an n-qubit PQC depth is O(log⁡n) using local observables. Finally, numerical experiments are provided to show the convergence of our method which is faster than classical optimizers on both simulators and a real device. Our results provide evidences for sequential optimizers as better alternatives to optimize PQCs on near-term quantum devices.

Meta-optimization of resources on quantum computers

The current state of quantum computing is commonly described as the Noisy Intermediate-Scale Quantum era. Available computers contain a few dozens of qubits and can perform a few dozens of operations before the inevitable noise erases all information encoded in the calculation. Even if the technology advances fast within the next years, any use of quantum computers will be limited to short and simple tasks, serving as subroutines of more complex classical procedures. Even for these applications the resource efficiency, measured in the number of quantum computer runs, will be a key parameter. Here we suggest a general meta-optimization procedure for hybrid quantum-classical algorithms that allows finding the optimal approach with limited quantum resources. This method optimizes the usage of resources of an existing method by testing its capabilities and setting the optimal resource utilization. We demonstrate this procedure on a specific example of variational quantum algorithm used to find the ground state energy of a hydrogen molecule.

Near-term distributed quantum computation using mean-field corrections and auxiliary qubits

Distributed quantum computation is often proposed to increase the scalability of quantum hardware, as it reduces cooperative noise and requisite connectivity by sharing quantum information between distant quantum devices. However, such exchange of quantum information itself poses unique engineering challenges, requiring high gate fidelity and costly non-local operations. To mitigate this, we propose near-term distributed quantum computing, focusing on approximate approaches that involve limited information transfer and conservative entanglement production. We first devise an approximate distributed computing scheme for the time evolution of quantum systems split across any combination of classical and quantum devices. Our procedure harnesses mean-field corrections and auxiliary qubits to link two or more devices classically, optimally encoding the auxiliary qubits to both minimize short-time evolution error and extend the approximate scheme’s performance to longer evolution times. We then expand the scheme to include limited quantum information transfer through selective qubit shuffling or teleportation, broadening our method’s applicability and boosting its performance. Finally, we build upon these concepts to produce an approximate circuit-cutting technique for the fragmented pre-training of variational quantum algorithms. To characterize our technique, we introduce a non-linear perturbation theory that discerns the critical role of our mean-field corrections in optimization and may be suitable for analyzing other non-linear quantum techniques. This fragmented pre-training is remarkably successful, reducing algorithmic error by orders of magnitude while requiring fewer iterations.

Restricted global optimization for QAOA

The Quantum Approximate Optimization Algorithm (QAOA) has emerged as a promising variational quantum algorithm for addressing NP-hard combinatorial optimization problems. However, a significant limitation lies in optimizing its classical parameters, which is in itself an NP-hard problem. To circumvent this obstacle, initialization heuristics, enhanced problem encodings and beneficial problem scalings have been proposed. While such strategies further improve QAOA’s performance, their remaining problem is the sole utilization of local optimizers. We show that local optimization methods are inherently inadequate within the complex cost landscape of QAOA. Instead, global optimization techniques greatly improve QAOA’s performance across diverse problem instances. While global optimization generally requires high numbers of function evaluations, we demonstrate how restricted global optimizers still show better performance without requiring an exceeding amount of function evaluations.

Predicting Brain Age and Gender from Brain Volume Data Using Variational Quantum Circuits.

The morphology of the brain undergoes changes throughout the aging process, and accurately predicting a person's brain age and gender using brain morphology features can aid in detecting atypical brain patterns. Neuroimaging-based estimation of brain age is commonly used to assess an individual's brain health relative to a typical aging trajectory, while accurately classifying gender from neuroimaging data offers valuable insights into the inherent neurological differences between males and females. In this study, we aimed to compare the efficacy of classical machine learning models with that of a quantum machine learning method called a variational quantum circuit in estimating brain age and predicting gender based on structural magnetic resonance imaging data. We evaluated six classical machine learning models alongside a quantum machine learning model using both combined and sub-datasets, which included data from both in-house collections and public sources. The total number of participants was 1157, ranging from ages 14 to 89, with a gender distribution of 607 males and 550 females. Performance evaluation was conducted within each dataset using training and testing sets. The variational quantum circuit model generally demonstrated superior performance in estimating brain age and gender classification compared to classical machine learning algorithms when using the combined dataset. Additionally, in benchmark sub-datasets, our approach exhibited better performance compared to previous studies that utilized the same dataset for brain age prediction. Thus, our results suggest that variational quantum algorithms demonstrate comparable effectiveness to classical machine learning algorithms for both brain age and gender prediction, potentially offering reduced error and improved accuracy.

Optimizing Variational Quantum Algorithms with qBang: Efficiently Interweaving Metric and Momentum to Navigate Flat Energy Landscapes

Variational quantum algorithms (VQAs) represent a promising approach to utilizing current quantum computing infrastructures. VQAs are based on a parameterized quantum circuit optimized in a closed loop via a classical algorithm. This hybrid approach reduces the quantum processing unit load but comes at the cost of a classical optimization that can feature a flat energy landscape. Existing optimization techniques, including either imaginary time-propagation, natural gradient, or momentum-based approaches, are promising candidates but place either a significant burden on the quantum device or suffer frequently from slow convergence. In this work, we propose the quantum Broyden adaptive natural gradient (qBang) approach, a novel optimizer that aims to distill the best aspects of existing approaches. By employing the Broyden approach to approximate updates in the Fisher information matrix and combining it with a momentum-based algorithm, qBang reduces quantum-resource requirements while performing better than more resource-demanding alternatives. Benchmarks for the barren plateau, quantum chemistry, and the max-cut problem demonstrate an overall stable performance with a clear improvement over existing techniques in the case of flat (but not exponentially flat) optimization landscapes. qBang introduces a new development strategy for gradient-based VQAs with a plethora of possible improvements.

Emulating two qubits with a four-level transmon qudit for variational quantum algorithms

Using quantum systems with more than two levels, or qudits, can scale the computational space of quantum processors more efficiently than using qubits, which may offer an easier physical implementation for larger Hilbert spaces. However, individual qudits may exhibit larger noise, and algorithms designed for qubits require to be recompiled to qudit algorithms for execution. In this work, we implemented a two-qubit emulator using a 4-level superconducting transmon qudit for variational quantum algorithm applications and analyzed its noise model. The major source of error for the variational algorithm was readout misclassification error and amplitude damping. To improve the accuracy of the results, we applied error-mitigation techniques to reduce the effects of the misclassification and qudit decay event. The final predicted energy value is within the range of chemical accuracy.

Unbalanced penalization: a new approach to encode inequality constraints of combinatorial problems for quantum optimization algorithms

Solving combinatorial optimization problems of the kind that can be codified by quadratic unconstrained binary optimization (QUBO) is a promising application of quantum computation. Some problems of this class suitable for practical applications such as the traveling salesman problem (TSP), the bin packing problem (BPP), or the knapsack problem (KP) have inequality constraints that require a particular cost function encoding. The common approach is the use of slack variables to represent the inequality constraints in the cost function. However, the use of slack variables considerably increases the number of qubits and operations required to solve these problems using quantum devices. In this work, we present an alternative method that does not require extra slack variables and consists of using an unbalanced penalization function to represent the inequality constraints in the QUBO. This function is characterized by larger penalization when the inequality constraint is not achieved than when it is. We evaluate our approach on the TSP, BPP, and KP, successfully encoding the optimal solution of the original optimization problem near the ground state cost Hamiltonian. Additionally, we employ D-Wave Advantage and D-Wave hybrid solvers to solve the BPP, surpassing the performance of the slack variables approach by achieving solutions for up to 29 items, whereas the slack variables approach only handles up to 11 items. This new approach can be used to solve combinatorial problems with inequality constraints with a reduced number of resources compared to the slack variables approach using quantum annealing or variational quantum algorithms.

Training-Free Quantum Architecture Search

Variational quantum algorithm (VQA) derives advantages from its error resilience and high flexibility in quantum resource requirements, rendering it broadly applicable in the noisy intermediate-scale quantum era. As the performance of VQA highly relies on the structure of the parameterized quantum circuit, it is worthwhile to propose quantum architecture search (QAS) algorithms to automatically search for high-performance circuits. Nevertheless, existing QAS methods are time-consuming, requiring circuit training to assess circuit performance. This study pioneers training-free QAS by utilizing two training-free proxies to rank quantum circuits, in place of the expensive circuit training employed in conventional QAS. Taking into account the precision and computational overhead of the path-based and expressibility-based proxies, we devise a two-stage progressive training-free QAS (TF-QAS). Initially, directed acyclic graphs (DAGs) are employed for circuit representation, and a zero-cost proxy based on the number of paths in the DAG is designed to filter out a substantial portion of unpromising circuits. Subsequently, an expressibility-based proxy, finely reflecting circuit performance, is employed to identify high-performance circuits from the remaining candidates. These proxies evaluate circuit performance without circuit training, resulting in a remarkable reduction in computational cost compared to current training-based QAS methods. Simulations on three VQE tasks demonstrate that TF-QAS achieves a substantial enhancement of sampling efficiency ranging from 5 to 57 times compared to state-of-the-art QAS, while also being 6 to 17 times faster.

Quantum Convolutional Long Short-Term Memory Based on Variational Quantum Algorithms in the Era of NISQ

In the era of noisy intermediate-scale quantum (NISQ) computing, the synergistic collaboration between quantum and classical computing models has emerged as a promising solution for tackling complex computational challenges. Long short-term memory (LSTM), as a popular network for modeling sequential data, has been widely acknowledged for its effectiveness. However, with the increasing demand for data and spatial feature extraction, the training cost of LSTM exhibits exponential growth. In this study, we propose the quantum convolutional long short-term memory (QConvLSTM) model. By ingeniously integrating classical convolutional LSTM (ConvLSTM) networks and quantum variational algorithms, we leverage the variational quantum properties and the accelerating characteristics of quantum states to optimize the model training process. Experimental validation demonstrates that, compared to various LSTM variants, our proposed QConvLSTM model outperforms in terms of performance. Additionally, we adopt a hierarchical tree-like circuit design philosophy to enhance the model’s parallel computing capabilities while reducing dependence on quantum bit counts and circuit depth. Moreover, the inherent noise resilience in variational quantum algorithms makes this model more suitable for spatiotemporal sequence modeling tasks on NISQ devices.

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The properties of strongly-coupled lattice gauge theories at finite density as well as in real time have largely eluded first-principles studies on the lattice. This is due to the failure of importance sampling for systems with a complex action. An alternative to evade the sign problem is quantum simulation. Although still in its infancy, a lot of progress has been made in devising algorithms to address these problems. In particular, recent efforts have addressed the question of how to produce thermal Gibbs states on a quantum computer. In this study, we apply a variational quantum algorithm to a low-dimensional model which has a local abelian gauge symmetry. We demonstrate how this approach can be applied to obtain information regarding the phase diagram as well as unequal-time correlation functions at non-zero temperature.

Can Error Mitigation Improve Trainability of Noisy Variational Quantum Algorithms?

Variational Quantum Algorithms (VQAs) are often viewed as the best hope for near-term quantum advantage. However, recent studies have shown that noise can severely limit the trainability of VQAs, e.g., by exponentially flattening the cost landscape and suppressing the magnitudes of cost gradients. Error Mitigation (EM) shows promise in reducing the impact of noise on near-term devices. Thus, it is natural to ask whether EM can improve the trainability of VQAs. In this work, we first show that, for a broad class of EM strategies, exponential cost concentration cannot be resolved without committing exponential resources elsewhere. This class of strategies includes as special cases Zero Noise Extrapolation, Virtual Distillation, Probabilistic Error Cancellation, and Clifford Data Regression. Second, we perform analytical and numerical analysis of these EM protocols, and we find that some of them (e.g., Virtual Distillation) can make it harder to resolve cost function values compared to running no EM at all. As a positive result, we do find numerical evidence that Clifford Data Regression (CDR) can aid the training process in certain settings where cost concentration is not too severe. Our results show that care should be taken in applying EM protocols as they can either worsen or not improve trainability. On the other hand, our positive results for CDR highlight the possibility of engineering error mitigation methods to improve trainability.

Here comes the SU(N): multivariate quantum gates and gradients

Variational quantum algorithms use non-convex optimization methods to find the optimal parameters for a parametrized quantum circuit in order to solve a computational problem. The choice of the circuit ansatz, which consists of parameterized gates, is crucial to the success of these algorithms. Here, we propose a gate which fully parameterizes the special unitary group SU(N). This gate is generated by a sum of non-commuting operators, and we provide a method for calculating its gradient on quantum hardware. In addition, we provide a theorem for the computational complexity of calculating these gradients by using results from Lie algebra theory. In doing so, we further generalize previous parameter-shift methods. We show that the proposed gate and its optimization satisfy the quantum speed limit, resulting in geodesics on the unitary group. Finally, we give numerical evidence to support the feasibility of our approach and show the advantage of our gate over a standard gate decomposition scheme. In doing so, we show that not only the expressibility of an ansatz matters, but also how it's explicitly parameterized.

Expressive quantum supervised machine learning using Kerr-nonlinear parametric oscillators

Quantum machine learning with variational quantum algorithms (VQA) has been actively investigated as a practical algorithm in the noisy intermediate-scale quantum (NISQ) era. Recent researches reveal that the data reuploading, which repeatedly encode classical data into quantum circuit, is necessary for obtaining the expressive quantum machine learning model in the conventional quantum computing architecture. However, the data reuploading tends to require a large amount of quantum resources, which motivates us to find an alternative strategy for realizing the expressive quantum machine learning efficiently. In this paper, we propose quantum machine learning with Kerr-nonlinear parametric oscillators (KPOs), as another promising quantum computing device. We use not only the ground state and first excited state but also higher excited states, which allows us to use a large Hilbert space even if we have a single KPO. Our numerical simulations show that the expressibility of our method with only one mode of the KPO is much higher than that of the conventional method with six qubits. Our results pave the way towards resource-efficient quantum machine learning, which is essential for the practical applications in the NISQ era.

Laziness, barren plateau, and noises in machine learning

We define laziness to describe a large suppression of variational parameter updates for neural networks, classical or quantum. In the quantum case, the suppression is exponential in the number of qubits for randomized variational quantum circuits. We discuss the difference between laziness and barren plateau in quantum machine learning created by quantum physicists in McClean et al (2018 Nat. Commun. 9 1–6) for the flatness of the loss function landscape during gradient descent. We address a novel theoretical understanding of those two phenomena in light of the theory of neural tangent kernels. For noiseless quantum circuits, without the measurement noise, the loss function landscape is complicated in the overparametrized regime with a large number of trainable variational angles. Instead, around a random starting point in optimization, there are large numbers of local minima that are good enough and could minimize the mean square loss function, where we still have quantum laziness, but we do not have barren plateaus. However, the complicated landscape is not visible within a limited number of iterations, and low precision in quantum control and quantum sensing. Moreover, we look at the effect of noises during optimization by assuming intuitive noise models, and show that variational quantum algorithms are noise-resilient in the overparametrization regime. Our work precisely reformulates the quantum barren plateau statement towards a precision statement and justifies the statement in certain noise models, injects new hope toward near-term variational quantum algorithms, and provides theoretical connections toward classical machine learning. Our paper provides conceptual perspectives about quantum barren plateaus, together with discussions about the gradient descent dynamics in Liu et al (2023 Phys. Rev. Lett. 130 150601).

Analyzing variational quantum landscapes with information content

The parameters of the quantum circuit in a variational quantum algorithm induce a landscape that contains the relevant information regarding its optimization hardness. In this work, we investigate such landscapes through the lens of information content, a measure of the variability between points in parameter space. Our major contribution connects the information content to the average norm of the gradient, for which we provide robust analytical bounds on its estimators. This result holds for any (classical or quantum) variational landscape. We validate the analytical understating by numerically studying the scaling of the gradient in an instance of the barren plateau problem. In such instance, we are able to estimate the scaling pre-factors in the gradient. Our work provides a way to analyze variational quantum algorithms in a data-driven fashion well-suited for near-term quantum computers.

Avoiding barren plateaus in the variational determination of geometric entanglement

The barren plateau (BP) phenomenon is one of the main obstacles to implementing variational quantum algorithms in the current generation of quantum processors. Here, we introduce a method capable of avoiding the BP phenomenon in the variational determination of the geometric measure of entanglement for a large number of qubits. The method is based on measuring compatible two-qubit local functions whose optimization allows for achieving a well-suited initial condition from which a global function can be further optimized without encountering a BP. We analytically demonstrate that the local functions can be efficiently estimated and optimized. Numerical simulations up to 18 qubit GHZ and W states demonstrate that the method converges to the exact value. In particular, the method allows for escaping from BPs induced by hardware noise or global functions defined on high-dimensional systems. Numerical simulations with noise agree with experiments carried out on IBM’s quantum processors for seven qubits.

Lithium-ion battery state of health estimation method based on variational quantum algorithm optimized stacking strategy

Accurate state-of-health (SOH) estimation is critical for the performance and safety of lithium-ion batteries. An innovative method for SOH estimation is proposed by employing a variational quantum algorithm to optimize a stacking integrated learning strategy. The strategy effectively combines multiple model advantages, enhancing the estimation accuracy and generalizability. Using this method, eight sets of health factors are extracted, focusing on the relationship between battery capacity degradation and electrothermal parameters. A stacking integrated learning framework is developed by utilizing diverse primary learners to effectively capture the dynamic changes in health factors. A ridge regression meta-learner is incorporated to address overfitting problems found in primary learners. A significant innovation is the integration of a variational quantum circuit module as the primary learner. This module plays a crucial role in optimizing the hyperparameters for the analysis of complex and high-dimensional battery data. The effectiveness of the method is validated using four different types of batteries, showing a 77.4% improvement in prediction accuracy compared with traditional methods, with the SOH estimation error maintained within a tight margin of 0.67%. The mean absolute error, mean absolute percentage error, and root mean square error with maximum reduction rates are 76.7%, 77.4%, and 62.7%, respectively. The maximum increase in the R-squared coefficient is 5.3%. This study demonstrates the potential of variational quantum algorithms in enhancing the SOH estimation accuracy and opens new possibilities for the advanced health status management of lithium-ion batteries.

Adaptive variational simulation for open quantum systems

Emerging quantum hardware provides new possibilities for quantum simulation. While much of the research has focused on simulating closed quantum systems, the real-world quantum systems are mostly open. Therefore, it is essential to develop quantum algorithms that can effectively simulate open quantum systems. Here we present an adaptive variational quantum algorithm for simulating open quantum system dynamics described by the Lindblad equation. The algorithm is designed to build resource-efficient ansatze through the dynamical addition of operators by maintaining the simulation accuracy. We validate the effectiveness of our algorithm on both noiseless simulators and IBM quantum processors and observe good quantitative and qualitative agreement with the exact solution. We also investigate the scaling of the required resources with system size and accuracy and find polynomial behavior. Our results demonstrate that near-future quantum processors are capable of simulating open quantum systems.

Variational quantum algorithms for scanning the complex spectrum of non-Hermitian systems

Variational quantum algorithms for scanning the complex spectrum of non-Hermitian systems