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arXiv:2410.11145 · Machine Learning Science and Technology

Machine learning approach to reconstruct density matrices from quantum marginals

Daniel Uzcátegui Contreras, Antonio Guerra, Sebastián Niklitschek, A. Delgado

Published Jun 13, 2025• 1 citation
arXivHTMLPDF

Abstract

Abstract In this work, we propose a machine learning (ML)-based approach to address a specific aspect of the Quantum Marginal Problem: reconstructing a global density matrix compatible with a given set of quantum marginals. Our method integrates a quantum marginal imposition technique with convolutional denoising autoencoders. The loss function is carefully designed to enforce essential physical constraints, including Hermiticity, positivity, and normalization. Through extensive numerical simulations, we demonstrate the effectiveness of our approach, achieving high success rates and accuracy. Furthermore, we show that, in many cases, our model offers a faster alternative to state-of-the-art semidefinite programming solvers without compromising solution quality. These results highlight the potential of ML techniques for solving complex problems in quantum mechanics.

DOI
10.1088/2632-2153/ade48d

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Abstract In this work, we propose a machine learning (ML)-based approach to address a specific aspect of the Quantum Marginal Problem: reconstructing a global density matrix compatible with a given set of quantum marginals. Our method integrates a quantum marginal imposition technique with convolutional denoising autoencoders. The loss function is carefully designed to enforce essential physical constraints, including Hermiticity, positivity, and normalization. Through extensive numerical simulations, we demonstrate the effectiveness of our approach, achieving high success rates and accuracy. Furthermore, we show that, in many cases, our model offers a faster alternative to state-of-the-art semidefinite programming solvers without compromising solution quality. These results highlight the potential of ML techniques for solving complex problems in quantum mechanics.
Quantum noise fundamentally limits the utility of near-term quantum devices, making error mitigation essential for practical quantum computation. While traditional quantum error correction codes require substantial qubit overhead and complex syndrome decoding, we propose a machine learning approach that directly reconstructs clean quantum states from noisy density matrices without additional qubits. We formulate quantum noise reduction as a supervised learning problem using a convolutional neural network (CNN) autoencoder architecture with a novel fidelity-aware composite loss function. Our method is trained and evaluated on a comprehensive synthetic dataset of 10,000 density matrices derived from random 5-qubit quantum circuits, encompassing five noise types (depolarizing, amplitude damping, phase damping, bit-flip, and mixed noise) across four intensity levels (0.05-0.20). The CNN successfully reconstructs quantum states across all noise conditions, achieving an average fidelity improvement from 0.298 to 0.774 (Δ = 0.476). Notably, the model demonstrates superior performance on complex mixed noise scenarios and higher noise intensities, with mixed noise showing the highest corrected fidelity (0.807) and improvement (0.567). The approach effectively preserves both diagonal elements (populations) and off-diagonal elements (quantum coherences), making it suitable for entanglement-dependent quantum algorithms. While phase damping presents fundamental information-theoretic limitations, our results suggest that CNN-based density matrix reconstruction offers a promising, resource-efficient alternative to traditional quantum error correction for NISQ-era devices. This data-driven approach could enable practical quantum advantage with fewer physical qubits than conventional error correction schemes require.
Different sets of local correlations are not equivalent: some fragments of reduced data uniquely determine a global quantum state, while others leave it ambiguous. The quantum marginal problem asks whether a collection of reduced density matrices uniquely determines a compatible global quantum state. Although generic quantum states are uniquely specified by suitable sets of marginals, different collections of marginals are not equally informative: some uniquely determine the global state, whereas others leave it ambiguous. Identifying when uniqueness holds, and reconstructing the global state from partial information, remains computationally demanding and experimentally challenging. We show that information about the multipartite entanglement class and reconstructability in four-qubit systems is compactly encoded in small sets of two- and three-qubit marginals. Using semidefinite programming, we chart the reconstructability landscape across 49 inequivalent SLOCC entanglement classes and show that uniqueness strongly depends on both entanglement structure and marginal order. Neural networks trained only on reduced density matrices learn this structure directly. They accurately classify marginal reconstructability and, when uniqueness holds, reconstruct the full four-qubit density matrix with high fidelity from two- and three-qubit marginals. We benchmark the approach on a four-qubit nuclear magnetic resonance quantum processor and demonstrate that reconstructions from experimentally measured marginals remain faithful despite phase damping and control imperfections. Our results show that neural networks can learn when local correlations uniquely specify a global quantum state, and reveal how global quantum structure is encoded in reduced data.
Abstract The search for useful applications of noisy intermediate-scale quantum (NISQ) devices in quantum simulation has been hindered by their intrinsic noise and the high costs associated with achieving high accuracy. A promising approach to finding utility despite these challenges involves using quantum devices to generate training data for classical machine learning (ML) models. In this study, we explore the use of noisy data generated by quantum algorithms in training an ML model to learn a density functional for the Fermi–Hubbard model. We benchmark various ML models against exact solutions, demonstrating that a neural-network ML model can successfully generalize from small datasets subject to noise typical of NISQ algorithms. The learning procedure can effectively filter out unbiased sampling noise, resulting in a trained model that outperforms any individual training data point. Conversely, when trained on data with expressibility and optimization error typical of the variational quantum eigensolver, the model replicates the biases present in the training data. The trained models can be applied to solving new problem instances in a Kohn–Sham-like density optimization scheme, benefiting from automatic differentiability and achieving reasonably accurate solutions on most problem instances. Our findings suggest a promising pathway for leveraging NISQ devices in practical quantum simulations, highlighting both the potential benefits and the challenges that need to be addressed for successful integration of quantum computing and ML techniques.
Density estimation is a fundamental task in statistics and machine learning that aims to estimate, from a set of samples, the probability density function of the distribution that generated them. There are different methods for addressing this problem but recently deep-neural density estimation methods have emerged as a powerful alternative. This paper presents a novel method for neural density estimation based on density matrices and adaptive Fourier features. Density matrices are commonly used in quantum mechanics to represent the quantum state of a physical system. In this work, they are used to estimate probability densities using an operation called quantum measurement. The proposed method can be trained without optimization using an averaging operation over the samples of the training dataset. It can also be integrated with deep learning architectures and trained using gradient descent. The performance of the proposed method was evaluated on a range of synthetic and real datasets and compared with fast kernel density estimation and state-of-the-art neural density estimation methods. The results demonstrate that the proposed method achieves competitive performance while being faster and more efficient than existing methods.
Abstract We used deep learning techniques to construct various models for reconstructing quantum states from a given set of coincidence measurements. Through simulations, we have demonstrated that our approach generates functionally equivalent reconstructed states for a wide range of pure and mixed input states. Compared with traditional methods, our system offers the advantage of faster speed. Additionally, by training our system with measurement results containing simulated noise sources, the system shows a significant improvement in average fidelity compared with typical reconstruction methods. We also found that constraining the variational manifold to physical states, i.e., positive semi-definite density matrices, greatly enhances the quality of the reconstructed states in the presence of experimental imperfections and noise. Finally, we validated the correctness and superiority of our model by using data generated on IBM Quantum Platform, a real quantum computer.
Quantum Machine Learning (QML) has emerged as a promising paradigm for enhancing machine learning algorithms, particularly in areas demanding complex computations. This research investigates a novel approach to QML, specifically focusing on the optimization of matrix operations, aiming to significantly accelerate model training and improve generalization capabilities. We propose a quantum-enhanced matrix optimization technique leveraging the unique properties of quantum machine learning to address the computational bottlenecks inherent in traditional optimization methods. The core mechanism centers around quantum algorithms designed to efficiently navigate and manipulate matrices, leading to faster convergence and enhanced model performance. This work presents a framework for adapting to quantum machine learning, offering a potential pathway to accelerate the training and deployment of complex models.