We develop a hybrid quantum-classical algorithm to solve an optimal population transfer problem for a molecule subject to a laser pulse. The evolution of the molecular wave function under the laser pulse is simulated on a quantum computer, while the optimal pulse is iteratively shaped via a machine learning (evolutionary) algorithm. A method to encode on the quantum computer the $n$-electrons wave function is discussed, the circuits accomplishing its quantum simulation are derived and the scalability in terms of number of operations is discussed. Performance on noisy intermediate-scale quantum devices (IBM Q X2) is provided to assess the current technological gap. Furthermore the hybrid algorithm is tested on a quantum emulator to compare performance of the evolutionary algorithm with standard ones. Our results show that such algorithms are able to outperform the optimization with a downhill simplex method and provide performance comparable to more advanced (but quantum-computer unfriendly) algorithms such as Rabitz's or gradient-based optimization.
We develop a hybrid quantum-classical algorithm to solve an optimal population transfer problem for a molecule subject to a laser pulse. The evolution of the molecular wave function under the laser pulse is simulated on a quantum computer, while the optimal pulse is iteratively shaped via a machine learning (evolutionary) algorithm. A method to encode on the quantum computer the n-electrons wave function is discussed, the circuits accomplishing its quantum simulation are derived and the scalability in terms of number of operations is discussed. Performance on noisy intermediate-scale quantum devices (IBM Q X2) is provided to assess the current technological gap. Furthermore the hybrid algorithm is tested on a quantum emulator to compare performance of the evolutionary algorithm with standard ones. Our results show that such algorithms are able to outperform the optimization with a downhill simplex method and provide performance comparable to more advanced (but quantum-computer unfriendly) algorithms such as Rabitz's or gradient-based optimization.
The convergence of machine learning (ML) and quantum computing is quickly becoming a game-changing new frontier in computational science. The most intriguing area of overlap may be quantum optimization, which seeks to reduce the exponentially increasing complexity and computational cost of ML algorithms. As they grow larger and more complicated, traditional optimization methods, particularly in high-dimensional and non-convex space, will inevitably hit performance limits. Quantum optimization is the whole new paradigm that leverages quantum mechanical effects like superposition, entanglement, and tunnelling to explore solution spaces more efficiently. The chapter outlines the theory, practice, and potential of hybrid quantum-classical optimization algorithms for machine learning. The most brilliant research direction in the current NISQ (noisy intermediate-scale quantum) era is mixed systems leveraging classical computing capability augmented by quantum capacity. In such designs, computationally intensive subroutines like optimization for global optima or escape from local minima are left to quantum processors and data preprocessing, iterative refinement, and model testing are performed by classical processors. We start by defining the fundamental principles of quantum computing and acquainting readers with the fundamentals like qubits, quantum gates, and quantum circuits. These are the building blocks for quantum algorithms, which hopefully can be utilized for optimization, for example, the QAOA (quantum approximate optimization algorithm), the VQE (variational quantum Eigensolver), and quantum annealing. They all build to optimize the problems in some way differently: QAOA through parameterized quantum circuits, VQE through approximations of ground states of the Hamiltonians, and quantum annealing through quantum evolution to low-energy solutions. We then form a loop between these quantum algorithms and regular machine learning tasks. Optimization impacts virtually all ML phases, from training neural networks, where one reduces loss functions; feature selection, where one aims to discover the most relevant subset of input variables; and hyperparameter optimization, which often involves expensive search procedures over extremely large combinatorial spaces. Quantum optimization techniques can therefore, in principle, accelerate such procedures through computational complexity reduction and enhancing solutions over challenging landscapes. Realistic simulations and case studies emphasize the degree to which hybrid quantum-classical algorithms have been employed in solving ML problems, that is, QSVMs, quantum-enhanced clustering, and quantum reinforcement learning. Despite their experimental nature, these applications already show encouraging results in terms of improved performance metrics as well as reduction in time-to-solution compared to classical-only solutions. Notwithstanding that, this new field is not bereft of real challenges. Quantum hardware suffers from hard limits on qubit fidelity, decoherence, and scalability in the current times. Furthermore, quantum circuit integration into broad ML pipelines requires novel architectures and software platforms. As a counter to those issues, this chapter surveys recent advances in quantum programming languages, simulators, and hybrid platforms like PennyLane, Qiskit, and TensorFlow Quantum. We conclude by looking to the future possibility that quantum optimization will revolutionize the machine learning landscape. As hardware improves and algorithmic complexity increases, the possibility of quantum-powered learning systems solving hard problems becomes increasingly accessible. From speeding up deep network training to enabling new types of unsupervised learning, quantum optimization holds the potential to recast computational tractability in machine learning. This chapter is an all-encompassing introduction and state-of-the-art work for students, researchers, and practitioners interested in using quantum optimization for practical ML applications. It sets the foundation for understanding how to pursue hybrid approaches (how they may be applied today in the real world and bracing oneself for disruption in the future).
Quantum computing has emerged as one of the most influential paradigms capable of transforming computational processes that struggle under classical limitations. In recent years, hybrid quantum–classical algorithms have gained significant attention for their ability to leverage the strengths of both architectures, especially within the Noisy Intermediate-Scale Quantum (NISQ) era. This research paper explores a quantum-enhanced optimization framework designed to improve machine learning model performance through parameterized quantum circuits (PQCs). The goal of this study is to provide a practical, scalable approach that can be integrated into existing machine learning workflows without requiring fully developed fault-tolerant quantum hardware. The proposed framework uses classical preprocessing to encode data into quantum states, followed by quantum transformations that explore richer feature spaces due to quantum superposition and entanglement. A classical optimizer then updates the quantum circuit parameters based on measurement results, forming an end-to-end feedback loop. This hybrid model aims to demonstrate improved optimization efficiency, reduction in loss-function plateaus, and better generalization for specific ML tasks involving small to medium-sized datasets. This paper provides a comprehensive investigation of methodology, literature background, and experimental reasoning with statistical analysis, along with conceptual diagrams illustrating system architecture and circuit layouts. The outcomes further strengthen the viability of hybrid quantum–classical computation as a promising direction for advanced machine learning systems.
Optimization problems are pervasive across various domains, including logistics, finance, machine learning, and operations research. Quantum computing has emerged as a promising frontier to address these challenges, offering potential speedups for certain classes of optimization tasks. This paper explores the development and application of quantum algorithms, such as the Quantum Approximate Optimization Algorithm (QAOA), Variational Quantum Eigensolver (VQE), and Grover’s search algorithm, tailored for optimization. Recent advancements in hardware, hybrid quantum-classical approaches, and variational techniques have enabled practical implementations on Noisy Intermediate-Scale Quantum (NISQ) devices. Challenges such as noise, scalability, and performance limitations are also discussed. Through theoretical analysis and case studies, this work demonstrates how quantum computing can complement classical methods, paving the way for breakthroughs in solving complex optimization problems.
A central challenge in quantum computing is to identify more computational problems for which utilization of quantum resources can offer significant speedup. Here, we propose a hybrid quantum-classical scheme to tackle the quantum optimal control problem. We show that the most computationally demanding part of gradient-based algorithms, namely, computing the fitness function and its gradient for a control input, can be accomplished by the process of evolution and measurement on a quantum simulator. By posing queries to and receiving answers from the quantum simulator, classical computing devices update the control parameters until an optimal control solution is found. To demonstrate the quantum-classical scheme in experiment, we use a seven-qubit nuclear magnetic resonance system, on which we have succeeded in optimizing state preparation without involving classical computation of the large Hilbert space evolution.
Parameterized quantum circuits (PQCs) play an essential role in the application of variational quantum algorithms (VQAs) in noisy intermediate-scale quantum (NISQ) devices. The PQCs are a leading candidate to achieve a quantum advantage in NISQ devices and have already been applied in various domains such as quantum chemistry, quantum machine learning, combinatorial optimization, and many others. There is no single definitive way to optimize PQCs. The most commonly used methods are based on computing the gradient via the parameter-shift rule to use classical gradient descent (GD) optimizers like Adam, stochastic GD, and others. In addition, sequential single-qubit optimizers have been proposed, such as Rotosolve, Free-Axis Selection (Fraxis), Free-Quaternion Selection (FQS), and hybrid algorithms from the aforementioned optimizers. We further develop hybrid algorithms than those represented in the previous work by drawing inspiration from the early stopping method used in classical machine learning. The switch between the optimizers depends on the previous cost function values compared to the previous ones. We introduce two new hybrid algorithms that are more robust and scalable, and they outperform previous hybrid methods in terms of convergence towards the global minima across various cost functions. In addition, we find that they are feasible for NISQ devices with different noise profiles.
Quantum machine learning has emerged as a promising approach to enhance computational efficiency by leveraging the principles of quantum computing. However, the limitations of current Noisy Intermediate-Scale Quantum (NISQ) devices, such as noise, limited qubit availability, and circuit depth constraints, restrict the implementation of fully quantum models. To address these challenges, this study focuses on the design, implementation, and performance evaluation of hybrid quantum-classical machine learning (HQML) models. The proposed approach integrates parameterized quantum circuits with classical optimization techniques to enable efficient learning within NISQ environments. The study employs standard benchmark datasets, including Iris, Breast Cancer, and MNIST, to evaluate the performance of the hybrid model. The results indicate that the HQML model achieves competitive accuracy on small and medium-sized datasets while maintaining balanced precision, recall, and F1-score. However, performance declines for complex datasets due to hardware limitations and noise effects. Additionally, the hybrid model demonstrates a lower number of parameters compared to classical deep learning models but requires higher training time due to iterative quantum-classical optimization. The findings highlight that hybrid quantum-classical models provide a practical and scalable approach for utilizing quantum computing in the current technological landscape. Although challenges related to noise, scalability, and computational overhead persist, advancements in quantum hardware and algorithm design are expected to improve performance. This study contributes to the growing field of quantum machine learning by providing a systematic framework for evaluating hybrid models on NISQ devices and identifying key areas for future research.