Continuous evolution for efficient quantum architecture search

Quantum computers have proven to be effective in simulating many quantum systems. Simulating nuclear processes and state preparation poses significant challenges, even for traditional supercomputers. This study demonstrates the feasibility of a complete simulation of a nuclear transition, including the preparation of both ground and first excited states. To tackle the complexity of strong interactions between two and three nucleons, the states are modeled on the tritium nucleus. Both the initial and final states are represented using quantum circuits with variational quantum algorithms and inductive biases. Describing the spin‐isospin states requires four qubits, and a parameterized quantum circuit that exploits a total of 16 parameters is initialized. The estimated energy has a relative error of 2% for the ground state and 10% for the first excited state of the system. The simulation estimates the transition probability between the two states as a function of the dipole polarization angle. This work marks a first step toward leveraging digital quantum computers to simulate nuclear physics.

Variational quantum algorithms (VQAs) can potentially solve practical problems using contemporary Noisy Intermediate Scale Quantum (NISQ) computers. VQAs find near-optimal solutions in the presence of qubit errors by classically optimizing a loss function computed by parameterized quantum circuits. However, developing and testing VQAs is challenging due to the limited availability of quantum hardware, their high error rates, and the significant overhead of classical simulations. Furthermore, VQA researchers must pick the right initialization for circuit parameters, utilize suitable classical optimizer configurations, and deploy appropriate error mitigation methods. Unfortunately, these tasks are done in an ad-hoc manner today, as there are no software tools to configure and tune the VQA hyperparameters.

Variational quantum algorithms (VQAs) are promising hybrid quantum-classical methods designed to leverage the computational advantages of quantum computing while mitigating the limitations of current noisy intermediate-scale quantum (NISQ) hardware. Although VQAs have been demonstrated as proofs of concept, their practical utility in solving real-world problems—and whether quantum-inspired classical algorithms can match their performance—remains an open question. We present a novel application of the variational quantum linear solver (VQLS) and its classical neural quantum states-based counterpart, the variational neural linear solver (VNLS), as key components within a minimum map Newton solver for a complementarity-based rigid-body contact model. We demonstrate using the VNLS that our solver accurately simulates the dynamics of rigid spherical bodies during collision events. These results suggest that quantum and quantum-inspired linear algebra algorithms can serve as viable alternatives to standard linear algebra solvers for modelling certain physical systems.This article is part of the theme issue ‘Numerical analysis, spectral graph theory, orthogonal polynomials and quantum algorithms’.

Quantum machine learning (QML) models based on parameterized quantum circuits are often highlighted as candidates for quantum computing's near-term “killer application''. However, the understanding of the empirical and generalization performance of these models is still in its infancy. In this paper we study how to balance between training accuracy and generalization performance (also called structural risk minimization) for two prominent QML models introduced by Havlíček et al. \cite{havlivcek:qsvm}, and Schuld and Killoran \cite{schuld:qsvm}. Firstly, using relationships to well understood classical models, we prove that two model parameters – i.e., the dimension of the sum of the images and the Frobenius norm of the observables used by the model – closely control the models' complexity and therefore its generalization performance. Secondly, using ideas inspired by process tomography, we prove that these model parameters also closely control the models' ability to capture correlations in sets of training examples. In summary, our results give rise to new options for structural risk minimization for QML models.

Variational quantum algorithms, which combine highly expressive parameterized quantum circuits (PQCs) and optimization techniques in machine learning, are one of the most promising applications of a near-term quantum computer. Despite their huge potential, the utility of variational quantum algorithms beyond tens of qubits is still questioned. One of the central problems is the trainability of PQCs. The cost function landscape of a randomly initialized PQC is often too flat, asking for an exponential amount of quantum resources to find a solution. This problem, dubbed barren plateaus, has gained lots of attention recently, but a general solution is still not available. In this paper, we solve this problem for the Hamiltonian variational ansatz (HVA), which is widely studied for solving quantum many-body problems. After showing that a circuit described by a time-evolution operator generated by a local Hamiltonian does not have exponentially small gradients, we derive parameter conditions for which the HVA is well approximated by such an operator. Based on this result, we propose an initialization scheme for the variational quantum algorithms and a parameter-constrained ansatz free from barren plateaus.

As a mainstream approach in the quantum machine learning field, variational quantum algorithms (VQAs) are frequently mentioned among the most promising applications for quantum computing. However, VQAs suffer from inefficient training methods. Here, we propose a pretraining strategy named near Clifford circuits warm start (NCC-WS) to find the initialization for parameterized quantum circuits (PQCs) in VQAs. We explored the expressibility of NCCs and the correlation between the expressibility and acceleration. The achieved results suggest that NCC-WS can find the correct initialization for the training of VQAs to achieve acceleration.

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.

Variational quantum algorithms (VQAs) and their applications in the field of quantum machine learning through parametrized quantum circuits (PQCs) are thought to be one major way of leveraging noisy intermediate-scale quantum computing devices. However, differences in the performance of certain VQA architectures are often unclear since established best practices, as well as detailed studies, are missing. In this paper, we build upon the work by Schuld [] and Vidal [] by comparing how well popular ansatz for PQCs learn different one-dimensional truncated Fourier series. We also examine dissipative quantum neural networks (dQNN) as introduced by Beer [] and propose a data reupload structure for dQNNs to increase their capability for this regression task. By comparing the results for different PQC architectures, we can provide guidelines for designing efficient PQCs. Published by the American Physical Society 2025

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.

Even a minor boost in solving combinatorial optimization problems can greatly benefit multiple industries. Quantum computers, with their unique information processing capabilities, hold promise for delivering such enhancements. The filtering variational quantum eigensolver (F-VQE) is a variational hybrid quantum algorithm designed to solve combinatorial optimization problems on existing quantum computers with limited qubit number, connectivity, and fidelity. In this work we employ instantaneous quantum polynomial circuits as our parameterized quantum circuits. We propose a hardware-efficient implementation that respects limited qubit connectivity and show that they halve the number of circuits necessary to evaluate the gradient with the parameter-shift rule. To assess the potential of this protocol in the context of combinatorial optimization, we conduct extensive numerical analysis. We compare the performance against three classical baseline algorithms on weighted MaxCut and the asymmetric traveling salesperson problem (ATSP). We employ noiseless simulators for problems encoded on 13–29 qubits, and up to 37 qubits on the IBMQ real quantum devices. The ATSP encoding employed reduces the number of qubits and avoids the need of constraints compared to the standard quadratic unconstrained binary optimization/Ising model. Despite some observed positive signs, we conclude that significant development is necessary for a practical advantage with F-VQE.

Variational quantum algorithms (VQAs), which classically optimize a parametrized quantum circuit to solve a computational task, promise to advance our understanding of quantum many-body systems and improve machine learning algorithms using near-term quantum computers. Prominent challenges associated with this family of quantum-classical hybrid algorithms are the control of quantum entanglement and quantum gradients linked to their classical optimization. Known as the barren plateau phenomenon, these quantum gradients may rapidly vanish in the presence of volume-law entanglement growth, which poses a serious obstacle to the practical utility of VQAs. Inspired by recent studies of measurement-induced entanglement transition in random circuits, we investigate the entanglement transition in variational quantum circuits endowed with intermediate projective measurements. Considering the Hamiltonian Variational Ansatz (HVA) for the XXZ model and the Hardware Efficient Ansatz (HEA), we observe a measurement-induced entanglement transition from volume-law to area-law with increasing measurement rate. Moreover, we provide evidence that the transition belongs to the same universality class of random unitary circuits. Importantly, the transition coincides with a “landscape transition” from severe to mild/no barren plateaus in the classical optimization. Our work may provide an avenue for improving the trainability of quantum circuits by incorporating intermediate measurement protocols in currently available quantum hardware.

Coherent states, known as displaced vacuum states, play an important role in quantum information processing, quantum machine learning, and quantum optics. In this article, two ways to digitally prepare coherent states in quantum circuits are introduced. First, we construct the displacement operator by decomposing it into Pauli matrices via ladder operators, i.e., creation and annihilation operators. The high fidelity of the digitally generated coherent states is verified compared with the Poissonian distribution in Fock space. Secondly, by using Variational Quantum Algorithms, we choose different ansatzes to generate coherent states. The quantum resources—such as numbers of quantum gates, layers and iterations—are analyzed for quantum circuit learning. The simulation results show that quantum circuit learning can provide high fidelity on learning coherent states by choosing appropriate ansatzes.

In recent years, parameterized quantum circuits have been regarded as machine learning models within the framework of the hybrid quantum–classical approach. Quantum machine learning (QML) has been applied to binary classification problems and unsupervised learning. However, practical quantum application to nonlinear regression tasks has received considerably less attention. Here, we develop QML models designed for predicting the toxicity of 221 phenols on the basis of quantitative structure activity relationship. The results suggest that our data encoding enhanced by quantum entanglement provided more expressive power than the previous ones, implying that quantum correlation could be beneficial for the feature map representation of classical data. Our QML models performed significantly better than the multiple linear regression method. Furthermore, our simulations indicate that the QML models were comparable to those obtained using radial basis function networks, while improving the generalization performance. The present study implies that QML could be an alternative approach for nonlinear regression tasks such as cheminformatics.

Variational quantum algorithms have the potential for significant impact on high-dimensional optimization, with applications in classical combinatorics, quantum chemistry, and condensed matter. Nevertheless, the optimization landscape of these algorithms is generally nonconvex, leading the algorithms to converge to local, rather than global, minima and the production of suboptimal solutions. In this work, we introduce a variational quantum algorithm that couples classical Markov chain Monte Carlo techniques with variational quantum algorithms, allowing the former to provably converge to global minima and thus assure solution quality. Due to the generality of our approach, it is suitable for a myriad of quantum minimization problems, including optimization and quantum state preparation. Specifically, we devise a Metropolis–Hastings method that is suitable for variational quantum devices and use it, in conjunction with quantum optimization, to construct quantum ensembles that converge to Gibbs states. These performance guarantees are derived from the ergodicity of our algorithm’s state space and enable us to place analytic bounds on its time-complexity. We demonstrate both the effectiveness of our technique and the validity of our analysis through quantum circuit simulations for MaxCut instances, solving these problems deterministically and with perfect accuracy, as well as large-scale quantum Ising and transverse field spin models of up to 50 qubits. Our technique stands to broadly enrich the field of variational quantum algorithms, improving and guaranteeing the performance of these promising, yet often heuristic, methods.

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).