Characterizing the ground state properties of quantum systems is fundamental to capturing their behavior but computationally challenging. Recent advances in AI have introduced novel approaches, with diverse machine learning (ML) and deep learning (DL) models proposed for this purpose. However, the necessity and specific role of DL models in these tasks remain unclear, as prior studies often employ varied or impractical quantum resources to construct datasets, resulting in unfair comparisons. To address this, we systematically benchmark DL models against traditional ML approaches across three families of Hamiltonian, scaling up to 127 qubits in three crucial ground-state learning tasks while enforcing equivalent quantum resource usage. Our results reveal that ML models often achieve performance comparable to or even exceeding that of DL approaches across all tasks. Furthermore, a randomization test demonstrates that measurement input features have minimal impact on DL models' prediction performance. These findings challenge the necessity of current DL models in many quantum system learning scenarios and provide valuable insights into their effective utilization.
Characterizing the ground state properties of quantum systems is fundamental to capturing their behavior but computationally challenging. Recent advances in AI have introduced novel approaches, with diverse machine learning (ML) and deep learning (DL) models proposed for this purpose. However, the necessity and specific role of DL models in these tasks remain unclear, as prior studies often employ varied or impractical quantum resources to construct datasets, resulting in unfair comparisons. To address this, we systematically benchmark DL models against traditional ML approaches across three families of Hamiltonian, scaling up to 127 qubits in three crucial ground-state learning tasks while enforcing equivalent quantum resource usage. Our results reveal that ML models often achieve performance comparable to or even exceeding that of DL approaches across all tasks. Furthermore, a randomization test demonstrates that measurement input features have minimal impact on DL models' prediction performance. These findings challenge the necessity of current DL models in many quantum system learning scenarios and provide valuable insights into their effective utilization.
Abstract Quantum many-body systems pose a formidable computational challenge due to the exponential growth of their Hilbert space. While deep learning (DL) has shown promise as an alternative paradigm, many applications in these systems are still to mature further, beyond the proof-of-concept stages of energy estimation at the lower end of the spectrum. Here, we extend DL beyond this frontier by extensively testing HubbardNet , a deep neural network architecture for the Bose–Hubbard model. Pushing improvements in the optimizer and learning rates, and introducing physics-informed output activations that can resolve extremely small wave-function amplitudes, we achieve ground-state energy errors reduced by orders of magnitude and wave-function fidelities exceeding 99%. We further assess physical relevance by analyzing generalized inverse participation ratios and multifractal dimensions for ground and excited states in one and two dimensions, demonstrating that optimized DL models reproduce localization, delocalization, and multifractality trends across the spectrum. Crucially, these qualitative predictions remain robust across four decades of the interaction strength, e.g. spanning across superfluid, Mott-insulating, as well as quantum chaotic regimes. Together, these results suggest DL as a viable qualitative predictor of many-body structure, complementing the quantitative strengths of exact diagonalization and tensor-network methods.
Quantum machine learning (QML) benchmarks frequently compare quantum models against weak classical baselines -- the same methodological gap identified for quantum optimisation in the QCCB study (Popescu and Petrov, 2024). This paper presents the QML-DL Benchmark (QMLDB), a rigorous comparative evaluation of six QML model families against nine state-of-the-art classical deep learning baselines (MLP, CNN, LSTM, ResNet, Transformer, TabNet, XGBoost, LightGBM, CatBoost) across ten benchmark datasets spanning six task domains. QMLDB controls for model capacity, training budget, and data size. QML achieves top performance on three of ten datasets -- all three with strong quantum-process proximity. On the remaining seven, classical deep learning dominates, with Transformer and ResNet consistently outperforming all QML models by 4.8-18.4pp. QMLDB establishes that QML advantage is narrower than commonly claimed, confined to datasets with genuine quantum structure, and proposes a quantum-process proximity score (QPPS) to predict whether a new dataset will benefit from QML before hardware experiments.
Quantum machine learning models have shown successful generalization performance even when trained with few data. In this work, through systematic randomization experiments, we show that traditional approaches to understanding generalization fail to explain the behavior of such quantum models. Our experiments reveal that state-of-the-art quantum neural networks accurately fit random states and random labeling of training data. This ability to memorize random data defies current notions of small generalization error, problematizing approaches that build on complexity measures such as the VC dimension, the Rademacher complexity, and all their uniform relatives. We complement our empirical results with a theoretical construction showing that quantum neural networks can fit arbitrary labels to quantum states, hinting at their memorization ability. Our results do not preclude the possibility of good generalization with few training data but rather rule out any possible guarantees based only on the properties of the model family. These findings expose a fundamental challenge in the conventional understanding of generalization in quantum machine learning and highlight the need for a paradigm shift in the study of quantum models for machine learning tasks.
Quantum machine learning models have shown successful generalization performance even when trained with few data. In this work, through systematic randomization experiments, we show that traditional approaches to understanding generalization fail to explain the behavior of such quantum models. Our experiments reveal that state-of-the-art quantum neural networks accurately fit random states and random labeling of training data. This ability to memorize random data defies current notions of small generalization error, problematizing approaches that build on complexity measures such as the VC dimension, the Rademacher complexity, and all their uniform relatives. We complement our empirical results with a theoretical construction showing that quantum neural networks can fit arbitrary labels to quantum states, hinting at their memorization ability. Our results do not preclude the possibility of good generalization with few training data but rather rule out any possible guarantees based only on the properties of the model family. These findings expose a fundamental challenge in the conventional understanding of generalization in quantum machine learning and highlight the need for a paradigm shift in the study of quantum models for machine learning tasks.
Abstract - The exponential growth of large-scale data has created significant challenges in storage, processing, and optimization that classical computing systems struggle to address efficiently. Quantum Machine Learning (QML) has emerged as a promising paradigm that integrates quantum computing concepts with machine learning techniques to tackle complex big data optimization problems. By utilizing quantum features such as superposition, entanglement, and parallelism, QML algorithms can accelerate tasks like clustering, classification, and dimensionality reduction, which are traditionally computationally demanding. Recent advancements indicate strong potential for quantum-inspired optimization in fields including cybersecurity, financial portfolio management, Industry 4.0, and healthcare analytics. This paper provides a comprehensive survey of QML algorithms designed for big data optimization, examining their advantages, limitations, and application domains. Additionally, it discusses the performance trade-offs associated with hybrid quantum–classical frameworks and highlights future research directions aimed at creating secure, scalable, and resource-efficient quantum solutions for large-scale, data-driven decision-making. As data volumes continue to expand at extremely rapid rates, processing big data with traditional machine learning (ML) techniques has become increasingly challenging. ML models often struggle with issues related to computational power, efficient parameter tuning, accurate model selection, and maintaining high performance when dealing with massive datasets. Deep learning approaches—such as convolutional neural networks (CNNs)—demand substantial computational resources to train on large-scale supervised learning tasks. Moreover, the difficulty of training these networks grows significantly as the size and complexity of the datasets increase. In response to these limitations, Quantum Machine Learning (QML) has emerged as a promising research domain at the intersection of quantum computing and machine learning. Quantum computers operate fundamentally differently from classical systems, using the principles of quantum mechanics to encode and process information. As a result, quantum computational methods have the potential to address certain problems that are computationally intensive or infeasible for classical machines. Index Terms— Quantum Machine Learning (QML); Big Data Optimization; Quantum Algorithms; Hybrid Quantum-Classical Models; Quantum Computing; Data Analytics
The rapid growth of computer vision and increasingly complex image recognition tasks has exposed fundamental computational limitations of classical machine learning models, motivating the exploration of quantum computing as an emerging new paradigm. This paper presents a comprehensive benchmarking study of classical and quantum machine learning models for image recognition on the MNIST handwritten digit dataset, evaluating both traditional models, a Classical Support Vector Machine (CSVM) and a Quantum Support Vector Machine (QSVM), and deep neural network models, a Classical Convolutional Neural Network (CCNN) and a Quantum Convolutional Neural Network (QCNN), across four performance dimensions: classification accuracy, computational runtime, parameter count, and memory requirements. Experiments are conducted as functions of both feature dimensionality and sample size, and across CPU and GPU execution environments, providing a controlled, multidimensional comparison to address gaps in prior work. For the SVM-based models, QSVM consistently outperforms CSVM in accuracy, reaching ∼ 0.90 versus ∼ 0.85 at 1,000 samples, with a higher computational cost. A feature count of 10 qubits and a sample size in the range of 200 -- 500 emerge as practical operating points that balance accuracy and runtime. For the neural network models, CCNN and QCNN achieve comparable classification accuracy, both exceeding 0.96 at 64 features and 60,000 samples, yet QCNN offers superior parameter and memory efficiency at higher feature counts, while incurring higher runtime. Across both model families, quantum models consistently outperform classical models by greater margins in accuracy as feature dimensionality or sample size increases.