Performance analysis of a filtering variational quantum algorithm

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’.

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.

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.

Quantum machine learning stands out as one of the most promising applications of quantum computing, widely believed to possess potential quantum advantages. In the era of noisy intermediate-scale quantum, the scale and quality of quantum computers are limited, and quantum algorithms based on fault-tolerant quantum computing paradigms cannot be experimentally verified in the short term. The variational quantum algorithm design paradigm can better adapt to the practical characteristics of noisy quantum hardware and is currently one of the most promising solutions. However, variational quantum algorithms, due to their highly entangled nature, encounter the phenomenon known as the “barren plateau” during the optimization and training processes, making effective optimization challenging. This paper addresses this challenging issue by researching a variational quantum neural network optimization method based on collective intelligence algorithms. The aim is to overcome optimization difficulties encountered by traditional methods such as gradient descent. We study two typical applications of using quantum neural networks: random 2D Hamiltonian ground state solving and quantum phase recognition. We find that the collective intelligence algorithm shows a better optimization compared to gradient descent. The solution accuracy of ground energy and phase classification is enhanced, and the optimization iterations are also reduced. We highlight that the collective intelligence algorithm has great potential in tackling the optimization of variational quantum algorithms.

Variational quantum algorithms (VQAs) have been successfully applied to quantum approximate optimization algorithms, variational quantum compiling, and quantum machine learning models. The performance of VQAs is significantly influenced by the architecture of parameterized quantum circuits (PQCs). Quantum architecture search aims to automatically discover high-performance quantum circuits for specific VQA tasks. Quantum architecture search algorithms that utilize both SuperCircuit training and a parameter-sharing approach can save computational resources. If we directly follow the parameter-sharing approach, the SuperCircuit has to be trained to compensate for the worse search space. To address the challenges posed by the worse search space, we introduce an optimization strategy known as the efficient continuous evolutionary approach using Non-dominated Sorting Genetic Algorithm-II (NSGA-II). Then, we leverage prior information (symmetric property) designing Structure Symmetric Pruning for removing redundant gates of the searched ansatz. Experiments show that the efficient continuous evolutionary approach can search for more quantum architectures with better performance; the number of high-performance ansatzes obtained by our method is 10% higher than that in the literature (Du et al. in npj Quantum Inf. 8:62, 2022). The application of Structure Symmetric Pruning effectively reduces the number of parameters in quantum circuits without compromising their performance significantly. In binary classification tasks, the pruned quantum circuits exhibit an average accuracy reduction of 0.044 compared to their unpruned counterparts.

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.

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

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.

Circuit-based quantum computing (CBQC), also known as the gate model, is currently regarded as the leading paradigm for performing quantum computation and has garnered widespread interest due to its relatively better-established implementation and close intuitive resemblance to classical computation. However, an alternative model that solely utilizes single-qubit measurements on entangled states to perform computation, namely the measurement-based quantum computing (MBQC), has started to attract further research interest as it is deemed more naturally suited for certain quantum hardware architectures, though its actual implementation remains largely underexplored. Recently, there have been preliminary efforts to characterize the specific regimes in which MBQC may potentially be more advantageous compared to CBQC. Nevertheless, a more systematic assessment is necessary to assess the suitability of each model across a broader range of more practical cases. In this work, we present a detailed comparative analysis of CBQC and MBQC, beginning with reviewing the theoretical foundations of each model before highlighting its distinguishing features that set the two paradigms apart. Furthermore, building on previous work, we propose a generalized regime analysis that more accurately captures the conditions under which a given quantum algorithm is more favorably executed in MBQC or CBQC. Subsequently, we identify critical parameters that likely determine whether a quantum algorithm is better suited to CBQC or MBQC, categorizing detailed key factors and performance metrics into layers of quantum computation. Next, we propose a decision flow that, given specific hardware constraints and algorithm requirements, guides the selection to the most appropriate model, discussing suitability in two representative worked examples of quantum algorithm applications: Quantum Fourier Transform (QFT) and Variational Quantum Algorithm (VQE). Last, we discuss the potential to combine both models as a hybrid approach to leverage the best of both worlds and explore its benefits for practical quantum computing applications.

Variational quantum algorithms (VQAs) are increasingly being applied in simulations of strongly bound (covalently bonded) systems using full molecular orbital basis representations. The application of quantum computers to the weakly bound intermolecular and noncovalently bonded regime, however, has remained largely unexplored. In this work, we develop a coarse-grained representation of the electronic response that is ideally suited for determining the ground state of weakly interacting molecules using a VQA. We require qubit numbers that grow linearly with the number of molecules and derive scaling behavior for the number of circuits and measurements required, which compare favorably to traditional variational quantum eigensolver methods. We demonstrate our method on IBM superconducting quantum processors and show its capability to resolve the dispersion energy as a function of separation for a pair of nonpolar molecules---thereby establishing a means by which quantum computers can model Van der Waals interactions directly from zero-point quantum fluctuations. Within this coarse-grained approximation, we conclude that current-generation quantum hardware is capable of probing energies in this weakly bound but nevertheless chemically ubiquitous and biologically important regime. Finally, we perform experiments on simulated and real quantum computers for systems of three, four, and five oscillators as well as oscillators with anharmonic onsite binding potentials; the consequences of the latter are unexamined in large systems using classical computational methods but can be incorporated here with low computational overhead.

Differential equations (DEs) serve as the cornerstone for a wide range of scientific endeavors, their solutions weaving through the core of diverse fields such as structural engineering, fluid dynamics, and financial modeling. DEs are notoriously hard to solve, due to their intricate nature, and finding solutions to DEs often exceeds the capabilities of traditional computational approaches. Recent advances in quantum computing have triggered a growing interest from researchers for the design of quantum algorithms for solving DEs. In this work, we introduce two different architectures of a novel variational quantum algorithm (VQA) with Lagrange polynomial encoding in combination with derivative quantum circuits using the Hadamard test differentiation to approximate the solution of DEs. To demonstrate the potential of our new VQA, two well-known ordinary differential equations are used: the damped mass-spring system from a given initial condition and the Poisson equation for periodic, Dirichlet, and Neumann boundary conditions. It is shown that the proposed new VQA has a reduced gate complexity compared to previous variational quantum algorithms, for a similar or better quality of the solution.

Quantum Computing and Artificial Intelligence (AI) are two transformative paradigms whose convergence holds immense potential to reshape computational science. This chapter explores the foundational principles of quantum computation and machine learning, emphasizing their interplay in addressing classically intractable problems. A systematic exposition of key quantum algorithms, such as Shor's factoring algorithm, Grover's algorithm, and the Variational Quantum Eigensolver (VQE), and particular focus is placed on variational quantum algorithms (VQAs), which have emerged as central tools in the NISQ era due to their hybrid quantum-classical nature. The experimental investigation conducted through VQE demonstrates the capability of expectation value minimization for approximating ground-state energies, with fidelity analysis offering insight into the accuracy and stability of the method. The chapter concludes with a discussion of open challenges and outlines future research directions, emphasizing error mitigation, algorithmic innovation, and the co-design of hardware and software.

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 introduce a method for solving combinatorial optimization problems on digital quantum computers, where we incorporate auxiliary counterdiabatic (CD) terms into the adiabatic Hamiltonian, while integrating bias terms derived from an iterative digitized counterdiabatic quantum algorithm. We call this protocol bias-field digitized counterdiabatic quantum optimization (BF-DCQO). Designed to effectively tackle large-scale combinatorial optimization problems, BF-DCQO demonstrates resilience against the limitations posed by the restricted coherence times of current quantum processors and shows clear enhancement even in the presence of noise. Additionally, our purely quantum approach eliminates the dependency on classical optimization required in hybrid classical-quantum schemes, thereby circumventing the trainability issues often associated with variational quantum algorithms. Through the analysis of an all-to-all connected general Ising spin-glass problem, we exhibit a polynomial scaling enhancement in ground-state success probability compared to traditional DCQO and finite-time adiabatic quantum optimization methods. Furthermore, it achieves scaling improvements in ground-state success probabilities, increasing by up to two orders of magnitude, and offers an average 1.3× better approximation ratio than the quantum approximate optimization algorithm for the problem sizes studied. We validate these findings through experimental implementations on both trapped-ion quantum computers and superconducting processors, tackling a maximum weighted independent set problem with 36 qubits and a spin glass on a heavy-hexagonal lattice with 100 qubits, respectively. These results mark a significant advancement in gate-based quantum computing, employing a fully quantum algorithmic approach.