Hybrid variational quantum algorithms are promising for solving practical problems, such as combinatorial optimization, quantum chemistry simulation, quantum machine learning, and quantum error correction on noisy quantum computers. However, variational quantum algorithms (derived from randomized hardware-efficient ansatz or adaptive ansatz) become a black box, not trustworthy for model interpretation, and not to mention for application deployment in informing critical decisions. In this paper, we construct the first interpretable quantum regression algorithm, in which the quantum state exactly encodes the classical data table and the variational parameters correspond directly to the regression coefficients, which are real numbers by construction, providing a high degree of model interpretability and minimal cost to optimize due to the right expressiveness. We also exploit the encoded data structure to reduce the gate complexity of computing the regression map. To reduce circuit depth in nonlinear regression, our algorithm can be extended by directly constructing nonlinear features via classical preprocessing, such as independent encoded column vectors. By design, the model performance is determined by the cost function measurement results $\mathcal{C}$ synchronous to the mean squared errors (MSE) for the regression models. We derived the read-out errors induced by one-hot encoding and compact encoding; the required physical qubit resources are exponentially compressed for the compact encoding to be favorable for noisy quantum devices. We also derive the cost function dependent sample complexity $ \in \mathcal{O}\left(σ^{2}(\mathcal{C}) \ln (1/α)/ε^{2}\right)$ under the error budget $ε$ and confidence tolerance $α$.
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arXiv admin note: substantial text overlap with arXiv:2307.03334
Hybrid variational quantum algorithms are promising for solving practical problems, such as combinatorial optimization, quantum chemistry simulation, quantum machine learning, and quantum error correction on noisy quantum computers. However, variational quantum algorithms (derived from randomized hardware-efficient ansatz or adaptive ansatz) become a black box, not trustworthy for model interpretation, and not to mention for application deployment in informing critical decisions. In this paper, we construct the first interpretable quantum regression algorithm, in which the quantum state exactly encodes the classical data table and the variational parameters correspond directly to the regression coefficients, which are real numbers by construction, providing a high degree of model interpretability and minimal cost to optimize due to the right expressiveness. We also exploit the encoded data structure to reduce the gate complexity of computing the regression map. To reduce circuit depth in nonlinear regression, our algorithm can be extended by directly constructing nonlinear features via classical preprocessing, such as independent encoded column vectors. By design, the model performance is determined by the cost function measurement results C synchronous to the mean squared errors (MSE) for the regression models. We derived the read-out errors induced by one-hot encoding and compact encoding; the required physical qubit resources are exponentially compressed for the compact encoding to be favorable for noisy quantum devices. We also derive the cost function dependent sample complexity ∈O(σ2(C)ln(1/α)/ε2) under the error budget ε and confidence tolerance α.
Hybrid variational quantum algorithms (VQAs) are promising for solving practical problems such as combinatorial optimization, quantum chemistry simulation, quantum machine learning, and quantum error correction on noisy quantum computers. However, with typical random ansatz or quantum alternating operator ansatz, derived variational quantum algorithms become a black box that cannot be trusted for model interpretation, not to mention deploying as applications in informing critical decisions: the results of these variational parameters are just rotational angles for the quantum gates and have nothing to do with interpretable values that a model can provide directly. In this paper, we construct the first interpretable quantum regression algorithm, in which the quantum state exactly encodes the classical data table and the variational parameters correspond directly to the regression coefficients, which are real numbers by construction, providing a high degree of model interpretability and minimal cost to optimize due to the right expressiveness. We also take advantage of the encoded data structure to reduce the time complexity of computing the regression map. To shorten the circuit depth for nonlinear regression, our algorithm can be extended by building nonlinear features by classical preprocessing as the independent encoded column vectors. Even though the realization of compressed encoding in superconducting qubits has been achieved by the less noisy compressed encoding recently by the authors, we envision potential quantum utilities with multi-qubit gates implemented in neutral cold atoms and ions.
The development of quantum computers has been the stimulus that enables the realization of Quantum Machine Learning (QML), an area that integrates the calculational framework of quantum mechanics with the adaptive properties of classical machine learning. This article suggests a broad architecture that allows the connection between classical data pipelines and quantum algorithms, hybrid quantum-classical models emerge as a promising route to scalable and near-term quantum benefit. At the core of this paradigm lies the Classical-Quantum (CQ) paradigm, in which the qubit states of high-dimensional classical data are encoded using sophisticated classical encoding strategies which encode the data in terms of amplitude and angle of rotation, along with superposition mapping. These techniques allow compression of information exponentially into Hilbert space representations, which, together with reduced sample complexity, allows greater feature expressivity. We also examine variational quantum circuits, quantum gates expressed as trainable variables that run with classical optimizers to overcome decoherence, noise, and gate-depth constraints of the existing Noisy Intermediate-Scale Quantum (NISQ) devices. Experimental comparisons with a Quantum Naive Bayes classifier prove that even small quantum circuits can approximate probabilistic inference with competitive accuracy compared to classical benchmarks, and have much better robustness to noisy data distributionsThis model does not only explain the algorithmic and architectural design of QML, it also offers a roadmap to the implementation of quantum kernels, variational algorithms, and hybrid feedback loops into practice, including optimization, computer vision, and medical diagnostics. The results support the idea that hybrid architectures with strong data encoding and adaptive error protection are key to moving QML out of theory to practice.
ABSTRACT We propose a variational quantum regression (VQR) algorithm using a hardware‐efficient ansatz (HEA) structure. This approach enables the quantum state to directly encode classical tabular data with variational parameters corresponding to real‐valued regression coefficients, ensuring high interpretability and efficient optimization without sacrificing expressiveness. By combining a variational quantum circuit with a classical optimizer, our method predicts the ground‐state energy of a hydrogen molecule using full configuration interaction (FCI) data. We quantify the expressibility of the VQR HEA circuit via the Kullback–Leibler (KL) divergence D KL and show the advantages of our R y − R x gate sequence in balancing expressibility. Performed for pennylane using an idealized quantum simulator, our 4‐qubit, 5‐layer HEA‐based VQR model achieves an accuracy of ∼0.99, mean squared error (MSE) < 10 −6 Hartree 2 , and mean absolute error (MAE) around 0.1 × 10 −2 Hartree compared to FCI benchmarks. We further demonstrate how qubit number and layer depth influence model accuracy, providing insights for task‐specific quantum circuit design. Our results advance practical applications of quantum computing for electronic structure problems by introducing an expressive, interpretable ansatz tailored for high‐precision simulations.
This paper presents an empirical evaluation of the Qube Engine, a hybrid quantum-classical Variational Quantum Regressor (VQR) implemented on Noisy Intermediate-Scale Quantum (NISQ) systems. The framework integrates classical data encoding via single-qubit rotations, parameterized RY+RZ variational layers, and linear entangling circuits evaluated on 4-qubit quantum registers. Optimization is conducted using classical algorithms (COBYLA) targeting Pauli-Z expectation values and Mean Squared Error (MSE) loss on continuous feature spaces. We evaluate model performance across ideal statevector simulation (AerSimulator) and physical IBM Quantum superconducting processors (ibm_marrakesh, ibm_fez, ibm_kingston). Experimental results demonstrate consistent optimization dynamics and low simulation-to-hardware expectation drift (Δ=0.0188), corresponding to a 98.23% cross-backend output stability score under shallow circuit depths. This work provides a realistic analysis of variational regression dynamics, hardware execution variance, and structural trade-offs for near-term quantum machine learning models on NISQ hardware.
The performance of quantum neural network models depends strongly on architectural decisions, including circuit depth, placement of parametrized operations, and data-encoding strategies. Selecting an effective architecture is challenging and closely related to the classical difficulty of choosing suitable neural-network topologies, which is computationally hard. This work investigates automated quantum-circuit construction for regression tasks and introduces a genetic-algorithm framework that discovers Reduced Regressor QNN architectures. The approach explores depth, parametrized gate configurations, and flexible data re-uploading patterns, formulating the construction of quantum regressors as an optimization process. The discovered circuits are evaluated against seventeen classical regression models on twenty-two nonlinear benchmark functions and four analytical functions. Although classical methods often achieve comparable results, they typically require far more parameters, whereas the evolved quantum models remain compact while providing competitive performance. We further analyze dataset complexity using twelve structural descriptors and show, across five increasingly challenging meta-learning scenarios, that these measures can reliably predict which quantum architecture will perform best. The results demonstrate perfect or near-perfect predictive accuracy in several scenarios, indicating that complexity metrics offer powerful and compact representations of dataset structure and can effectively guide automated model selection. Overall, this study provides a principled basis for meta-learning-driven quantum architecture design and advances the understanding of how quantum models behave in regression settings--a topic that has received limited exploration in prior work. These findings pave the way for more systematic and theoretically grounded approaches to quantum regression.
Traditional quantum algorithms with guaranteed performance generally require fully coherent quantum computers to operate, making error-correction a necessity. In contrast, variational quantum algorithms seek to remove this requirement by formulating the computation as the approximate optimization of a functional. This optimization is carried out in the space of heuristic functions defined by a parameterized (variational) quantum circuit. Taking advantage of the flexibility in the definition of these heuristics, we can expand the operability of variational algorithms within the regime of coherence times of noisy intermediate-scale quantum devices, avoiding the necessity of error-correction. In this dissertation, we present the application of the variational quantum computing approach to problems in quantum simulation, quantum state preparation, quantum error-correction, and generative modeling.\nIn the first part, we investigate the use of the variational quantum eigensolver (VQE) for simulating the ground state of fermionic systems. We start by studying the implementation of VQE using the unitary coupled cluster (UCC) ansatz and propose strategies to reduce its cost. We use these insights to carry out some of the first experimental quantum computations of molecular energies using simplified versions of this ansatz. We also propose an extension of UCC to study problems in condensed matter physics, along with a new low-depth circuit ansatz for preparing non-gaussian fermionic states on quantum computers. We show the potential of our approach to describe strongly correlated fermionic systems.\nIn the second part, we develop three new variational quantum algorithms for problems in quantum computing and machine learning, namely: 1) the quantum autoencoder, to compress ensembles of quantum states, 2) the variational quantum error corrector, to find device-tailored quantum encoding and recovery circuits for quantum error correction, and 3) the variational quantum generator, to generate classical probability distributions. These techniques offer efficient ways to design new quantum circuits for state preparation, to find more effective error-correcting codes and to perform generative modeling with quantum computers. Our work provides insights into the design of variational quantum algorithms and establishes practical guidelines to implement these methods on near-term quantum computers, as well as some future research directions for this field.