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Pablo Díez-Valle

Publications and source records attributed to Pablo Díez-Valle.

9 recordsLinked to original sources

Do emulated quantum circuits change what CNNs look at? Performance and explainability comparison in medical image classification

Numerous studies have analyzed the use of hybrid quantum-classical convolutional neural networks as a promising alternative to classical deep learning. However, network components on quantum hardware impose fundamental limitations, while the scalability of quantum circuits leads to trainability issues. In this work, we investigate whether small, classically-emulated quantum circuit components can play a meaningful role within complex models, offering an alternative to purely classical convolutional architectures. To this end, we present a systematic study of the effectiveness of a Hybrid Quantum-inspired Convolutional Neural Network (HQiCNN) compared with a parameter-matched classical Convolutional Neural Network (CNN) that differs only in an intermediate dense neural layer. Both models are evaluated on two real-world medical datasets while systematically varying the different hyperparameters, ensuring a fair model comparison that is both dataset and hyperparameter independent. The results show that no architecture consistently dominates the other: the HQiCNN achieves its largest gains in intermediate-data regimes, whereas the CNN reaches the highest accuracies for the largest training sets in both datasets. Furthermore, removing entanglement produces comparable performance while enabling substantially better scalability of quantum simulations, and richer observable sets become beneficial only when sufficient training data are available. Finally, we propose two SHAP-based explainability tools for comparing the predictions between both models, $|SHAP|$IoU and $EMD_{pos}$ metric, to demonstrate that both architectures consistently attend to anatomically plausible regions. Thus, we provide a comprehensive benchmark showing that, under certain conditions, hybrid quantum-inspired models are an alternative that can offer benefits in practical tasks such as medical image classification.

quant-ph↗

Universal Resources for QAOA and Quantum Annealing

The Quantum Approximate Optimization Algorithm (QAOA) is a variational ansatz that resembles the Trotterized dynamics of a Quantum Annealing (QA) protocol. This work formalizes this connection formally and empirically, showing the angles of a multilayer QAOA circuit converge to universal QA trajectories. Furthermore, the errors in both QAOA circuits and QA paths act as thermal excitations in pseudo-Boltzmann probability distributions whose temperature decreases with the invested resource -- i.e. integrated angles or total time -- and which in QAOA also contain a higher temperature arising from the Trotterization. This also means QAOA and QA are cooling protocols and simulators of partition functions whose target temperature can be tuned by rescaling the universal trajectory. The average cooling power of both methods exhibits favorable algebraic scalings with respect to the target temperature and problem size, whereby in QAOA the coldest temperature is inversely proportional to the number of layers, $T\sim 1/p$, and to the integrated angles -- or integrated interactions in QA.

quant-ph↗

Physics-Inspired Extrapolation for efficient error mitigation and hardware certification

Quantum error mitigation (QEM) is essential for the noisy intermediate-scale quantum era, and will remain relevant for early fault-tolerant quantum computers, where logical error rates are still significant. However, most QEM methods incur an exponential sampling overhead to achieve unbiased estimates, limiting their practical applicability. Recently, error mitigation by restricted evolution (EMRE) was shown to estimate expectation values with constant sampling overhead, albeit with a small bias that grows with circuit size and noise level. Building upon the EMRE framework, here, we propose physics-inspired extrapolation (PIE), a linear circuit runtime protocol that achieves enhanced accuracy without incurring substantial overhead. Unlike traditional heuristic zero-noise extrapolation methods, PIE provides a theoretical foundation for the operational interpretation of its fitting parameters and demonstrates convergence to unbiased estimates as noise decreases. Distinctively, the slope of the extrapolation fit corresponds to the max-relative entropy between the ideal and noisy circuits, enabling quantitative hardware certification alongside error mitigation, with no additional computational overhead. We also demonstrate the efficacy of this method on IBMQ hardware and apply it to simulate 84-qubit quantum dynamics efficiently. Our results show that PIE yields accurate, low-variance error mitigated estimates, establishing it as a practical and scalable strategy for both error mitigation and hardware certification for near-term and early fault-tolerant quantum computers.

quant-ph↗

Error-Mitigation Enabled Multicomponent Quantum Simulations Beyond the Born-Oppenheimer Approximation

We introduce a multicomponent unitary coupled cluster framework for quantum simulations of molecular systems that incorporate both electronic and nuclear quantum effects beyond the Born-Oppenheimer approximation. Using the nuclear-electronic orbital formalism, we construct mcUCC ansätze for positronium hydride and molecular hydrogen with a quantum proton, and analyze hardware requirements for different excitation truncations. To further reduce resource costs effectively, we employ the local unitary cluster Jastrow ansatz and implement it experimentally on IBM Q's Heron superconducting hardware. With the Physics-Inspired Extrapolation error mitigation protocol, the computed ground-state energies remain within chemical accuracy, consistent with the stated uncertainty level. These results provide the first demonstration of error-mitigated multicomponent correlated simulations on quantum hardware and outline a path toward scalable algorithms unifying electronic and nuclear degrees of freedom.

quant-ph↗

Learning Generalized Statistical Mechanics with Matrix Product States

We introduce a variational algorithm based on Matrix Product States that is trained by minimizing a generalized free energy defined using Tsallis entropy instead of the standard Gibbs entropy. As a result, our model can generate the probability distributions associated with generalized statistical mechanics. The resulting model can be efficiently trained, since the resulting free energy and its gradient can be calculated exactly through tensor network contractions, as opposed to standard methods which require estimating the Gibbs entropy by sampling. We devise a variational annealing scheme by ramping up the inverse temperature, which allows us to train the model while avoiding getting trapped in local minima. We show the validity of our approach in Ising spin-glass problems by comparing it to exact numerical results and quasi-exact analytical approximations. Our work opens up new possibilities for studying generalized statistical physics and solving combinatorial optimization problems with tensor networks.

cond-mat.stat-mech↗

Connection between single-layer Quantum Approximate Optimization Algorithm interferometry and thermal distributions sampling

The Quantum Approximate Optimization Algorithm (QAOA) is an algorithm originally proposed to find approximate solutions to Combinatorial Optimization problems on quantum computers. However, the algorithm has also attracted interest for sampling purposes since it was theoretically demonstrated under reasonable complexity assumptions that one layer of the algorithm already engineers a probability distribution beyond what can be simulated by classical computers. In this regard, a recent study has shown as well that, in universal Ising models, this global probability distribution resembles pure but thermal-like distributions at a temperature that depends on internal correlations of the spin model. In this work, through an interferometric interpretation of the algorithm, we extend the theoretical derivation of the amplitudes of the eigenstates, and the Boltzmann distributions generated by single-layer QAOA. We also review the implications that this behavior has from both a practical and fundamental perspective.

quant-ph↗

Multiobjective variational quantum optimization for constrained problems: an application to Cash Management

Combinatorial optimization problems are ubiquitous in industry. In addition to finding a solution with minimum cost, problems of high relevance involve a number of constraints that the solution must satisfy. Variational quantum algorithms have emerged as promising candidates for solving these problems in the noisy intermediate-scale quantum stage. However, the constraints are often complex enough to make their efficient mapping to quantum hardware difficult or even infeasible. An alternative standard approach is to transform the optimization problem to include these constraints as penalty terms, but this method involves additional hyperparameters and does not ensure that the constraints are satisfied due to the existence of local minima. In this paper, we introduce a new method for solving combinatorial optimization problems with challenging constraints using variational quantum algorithms. We propose the Multi-Objective Variational Constrained Optimizer (MOVCO) to classically update the variational parameters by a multiobjective optimization performed by a genetic algorithm. This optimization allows the algorithm to progressively sample only states within the in-constraints space, while optimizing the energy of these states. We test our proposal on a real-world problem with great relevance in finance: the Cash Management problem. We introduce a novel mathematical formulation for this problem, and compare the performance of MOVCO versus a penalty based optimization. Our empirical results show a significant improvement in terms of the cost of the achieved solutions, but especially in the avoidance of local minima that do not satisfy any of the mandatory constraints.

quant-ph↗

Quantum Approximate Optimization Algorithm pseudo-Boltzmann states

In this letter, we provide analytical and numerical evidence that the single-layer Quantum Approximate Optimization Algorithm (QAOA) on universal Ising spin models produces thermal-like states. We find that these pseudo-Boltzmann states can not be efficiently simulated on classical computers according to the general state-of-the-art condition that ensures rapid mixing for Ising models. Moreover, we observe that the temperature depends on a hidden universal correlation between the energy of a state and the covariance of other energy levels and the Hamming distances of the state to those energies.

quant-ph↗

Quantum variational optimization: The role of entanglement and problem hardness

Quantum variational optimization has been posed as an alternative to solve optimization problems faster and at a larger scale than what classical methods allow. In this paper we study systematically the role of entanglement, the structure of the variational quantum circuit, and the structure of the optimization problem, in the success and efficiency of these algorithms. For this purpose, our study focuses on the variational quantum eigensolver (VQE) algorithm, as applied to quadratic unconstrained binary optimization (QUBO) problems on random graphs with tunable density. Our numerical results indicate an advantage in adapting the distribution of entangling gates to the problem's topology, specially for problems defined on low-dimensional graphs. Furthermore, we find evidence that applying conditional value at risk type cost functions improves the optimization, increasing the probability of overlap with the optimal solutions. However, these techniques also improve the performance of Ansätze based on product states (no entanglement), suggesting that a new classical optimization method based on these could outperform existing NISQ architectures in certain regimes. Finally, our study also reveals a correlation between the hardness of a problem and the Hamming distance between the ground- and first-excited state, an idea that can be used to engineer benchmarks and understand the performance bottlenecks of optimization methods.

quant-ph↗