Hirotaka Oshima

Quoc Hoan Tran, Koki Chinzei, Yasuhiro Endo et al.

Many applications in quantum simulation, quantum chemistry, and quantum machine learning require not a single quantum state but an ensemble of states characterizing the heterogeneity of a target system. Preparing such ensembles state-by-state is prohibitive in both variational and fault-tolerant settings, motivating a generative-modeling approach. We introduce latent-conditioned parameterized quantum circuits (LPQCs), a hybrid quantum-classical framework in which classical neural networks map a latent variable sampled from a prior distribution to the parameters of a parameterized quantum circuit. We prove that LPQCs are universal approximators for probability measures over density operators in the $1$-Wasserstein distance, extending classical universal approximation theorems to the quantum-distribution setting. We additionally introduce a multimodal latent prior and a mixture-of-experts circuit architecture, and show that it empirically alleviates the barren plateau problem during optimization. Numerical experiments validate the framework on a synthetic multi-cluster ensemble of mixed quantum states and on a QM9-derived ensemble of 3-D molecular structures. In these tasks, LPQC outperforms recent quantum generative baselines while remaining competitive with typical classical baselines at substantially reduced output dimensionality. By leveraging classical expressivity in the latent space, LPQCs offer a tractable route to quantum generative modeling.

Koki Chinzei, Quoc Hoan Tran, Kazunori Maruyama et al.

The quantum convolutional neural network (QCNN) is a promising quantum machine learning (QML) model that is expected to achieve quantum advantages in classically intractable problems. However, the QCNN requires a large number of measurements for data learning, limiting its practical applications in large-scale problems. To alleviate this requirement, we propose a novel architecture called split-parallelizing QCNN (sp-QCNN), which exploits the prior knowledge of quantum data to design an efficient model. This architecture draws inspiration from geometric quantum machine learning and targets translationally symmetric quantum data commonly encountered in physics and quantum computing science. By splitting the quantum circuit based on translational symmetry, the sp-QCNN can substantially parallelize the conventional QCNN without increasing the number of qubits and improve the measurement efficiency by an order of the number of qubits. To demonstrate its effectiveness, we apply the sp-QCNN to a quantum phase recognition task and show that it can achieve comparable classification accuracy to the conventional QCNN while considerably reducing the measurement resources required. Due to its high measurement efficiency, the sp-QCNN can mitigate statistical errors in estimating the gradient of the loss function, thereby accelerating the learning process. These results open up new possibilities for incorporating the prior data knowledge into the efficient design of QML models, leading to practical quantum advantages.

Quoc Hoan Tran, Shinji Kikuchi, Hirotaka Oshima

The variational quantum eigensolver (VQE) is a hybrid algorithm that has the potential to provide a quantum advantage in practical chemistry problems that are currently intractable on classical computers. VQE trains parameterized quantum circuits using a classical optimizer to approximate the eigenvalues and eigenstates of a given Hamiltonian. However, VQE faces challenges in task-specific design and machine-specific architecture, particularly when running on noisy quantum devices. This can have a negative impact on its trainability, accuracy, and efficiency, resulting in noisy quantum data. We propose variational denoising, an unsupervised learning method that employs a parameterized quantum neural network to improve the solution of VQE by learning from noisy VQE outputs. Our approach can significantly decrease energy estimation errors and increase fidelities with ground states compared to noisy input data for the $\text{H}_2$, LiH, and $\text{BeH}_2$ molecular Hamiltonians, and the transverse field Ising model. Surprisingly, it only requires noisy data for training. Variational denoising can be integrated into quantum hardware, increasing its versatility as an end-to-end quantum processing for quantum data.

Koki Chinzei, Quoc Hoan Tran, Yasuhiro Endo et al.

Equivariant quantum neural networks (QNNs) are promising variational models that exploit symmetries to improve machine learning capabilities. Despite theoretical developments in equivariant QNNs, their implementation on near-term quantum devices remains challenging due to limited computational resources. This study proposes a resource-efficient model of equivariant quantum convolutional neural networks (QCNNs) called equivariant split-parallelizing QCNN (sp-QCNN). Using a group-theoretical approach, we encode general symmetries into our model beyond the translational symmetry addressed by previous sp-QCNNs. We achieve this by splitting the circuit at the pooling layer while preserving symmetry. This splitting structure effectively parallelizes QCNNs to improve measurement efficiency in estimating the expectation value of an observable and its gradient by order of the number of qubits. Our model also exhibits high trainability and generalization performance, including the absence of barren plateaus. Numerical experiments demonstrate that the equivariant sp-QCNN can be trained and generalized with fewer measurement resources than a conventional equivariant QCNN in a noisy quantum data classification task. Our results contribute to the advancement of practical quantum machine learning algorithms.

Quoc Hoan Tran, Koki Chinzei, Yasuhiro Endo et al.

Generative models for quantum data pose significant challenges but hold immense potential in fields such as chemoinformatics and quantum physics. Quantum denoising diffusion probabilistic models (QuDDPMs) enable efficient learning of quantum data distributions by progressively scrambling and denoising quantum states; however, existing implementations typically rely on circuit-based random unitary dynamics that can be costly to realize and sensitive to control imperfections, particularly on analog quantum hardware. We propose the chaotic quantum diffusion model, a framework that generates projected ensembles via chaotic Hamiltonian time evolution, providing a flexible and hardware-compatible diffusion mechanism. Requiring only global, time-independent control, our approach substantially reduces implementation overhead across diverse analog quantum platforms while achieving accuracy comparable to QuDDPMs. This method improves trainability and robustness, broadening the applicability of quantum generative modeling.

Quoc Hoan Tran, Koki Chinzei, Yasuhiro Endo et al.

Generating quantum data by learning the underlying quantum distribution poses challenges in both theoretical and practical scenarios, yet it is a critical task for understanding quantum systems. A fundamental question in quantum machine learning (QML) is the universality of approximation: whether a parameterized QML model can approximate any quantum distribution. We address this question by proving a universality theorem for the Many-body Projected Ensemble (MPE) framework, a method for quantum state design that uses a single many-body wave function to prepare random states. This demonstrates that MPE can approximate any distribution of pure states within a 1-Wasserstein distance error. This theorem provides a rigorous guarantee of universal expressivity, addressing key theoretical gaps in QML. For practicality, we propose an Incremental MPE variant with layer-wise training to improve the trainability. Numerical experiments on clustered quantum states and quantum chemistry datasets validate MPE's efficacy in learning complex quantum data distributions.

Quoc Hoan Tran, Yasuhiro Endo, Hirotaka Oshima

Quantum machine learning (QML) requires significant quantum resources to address practical real-world problems. When the underlying quantum information exhibits hierarchical structures in the data, limitations persist in training complexity and generalization. Research should prioritize both the efficient design of quantum architectures and the development of learning strategies to optimize resource usage. We propose a framework called quantum curriculum learning (Q-CurL) for quantum data, where the curriculum introduces simpler tasks or data to the learning model before progressing to more challenging ones. Q-CurL exhibits robustness to noise and data limitations, which is particularly relevant for current and near-term noisy intermediate-scale quantum devices. We achieve this through a curriculum design based on quantum data density ratios and a dynamic learning schedule that prioritizes the most informative quantum data. Empirical evidence shows that Q-CurL significantly enhances training convergence and generalization for unitary learning and improves the robustness of quantum phase recognition tasks. Q-CurL is effective with physical learning applications in physics and quantum chemistry.

Yuichi Kamata, Quoc Hoan Tran, Yasuhiro Endo et al.

The Transformer model, renowned for its powerful attention mechanism, has achieved state-of-the-art performance in various artificial intelligence tasks but faces challenges such as high computational cost and memory usage. Researchers are exploring quantum computing to enhance the Transformer's design, though it still shows limited success with classical data. With a growing focus on leveraging quantum machine learning for quantum data, particularly in quantum chemistry, we propose the Molecular Quantum Transformer (MQT) for modeling interactions in molecular quantum systems. By utilizing quantum circuits to implement the attention mechanism on the molecular configurations, MQT can efficiently calculate ground-state energies for all configurations. Numerical demonstrations show that in calculating ground-state energies for H2, LiH, BeH2, and H4, MQT outperforms the classical Transformer, highlighting the promise of quantum effects in Transformer structures. Furthermore, its pretraining capability on diverse molecular data facilitates the efficient learning of new molecules, extending its applicability to complex molecular systems with minimal additional effort. Our method offers an alternative to existing quantum algorithms for estimating ground-state energies, opening new avenues in quantum chemistry and materials science.

Nasa Matsumoto, Quoc Hoan Tran, Koki Chinzei et al.

Quantum machine learning models that leverage quantum circuits as quantum feature maps (QFMs) are recognized for their enhanced expressive power in learning tasks. Such models have demonstrated rigorous end-to-end quantum speedups for specific families of classification problems. However, deploying deep QFMs on real quantum hardware remains challenging due to circuit noise and hardware constraints. Additionally, variational quantum algorithms often suffer from computational bottlenecks, particularly in accurate gradient estimation, which significantly increases quantum resource demands during training. We propose Iterative Quantum Feature Maps (IQFMs), a hybrid quantum-classical framework that constructs a deep architecture by iteratively connecting shallow QFMs with classically computed augmentation weights. By incorporating contrastive learning and a layer-wise training mechanism, the IQFMs framework effectively reduces quantum runtime and mitigates noise-induced degradation. In tasks involving noisy quantum data, numerical experiments show that the IQFMs framework outperforms quantum convolutional neural networks, without requiring the optimization of variational quantum parameters. Even for a typical classical image classification benchmark, a carefully designed IQFMs framework achieves performance comparable to that of classical neural networks. This framework presents a promising path to address current limitations and harness the full potential of quantum-enhanced machine learning.

Koki Chinzei, Quoc Hoan Tran, Norifumi Matsumoto et al.

Machine learning (ML) holds great promise for extracting insights from complex quantum many-body data obtained in quantum experiments. This approach can efficiently solve certain quantum problems that are classically intractable, suggesting potential advantages of harnessing quantum data. However, addressing large-scale problems still requires significant amounts of data beyond the limited computational resources of near-term quantum devices. We propose a scalable ML framework called Geometrically Local Quantum Kernel (GLQK), designed to efficiently learn quantum many-body experimental data by leveraging the exponential decay of correlations, a phenomenon prevalent in noncritical systems. In the task of learning an unknown polynomial of quantum expectation values, we rigorously prove that GLQK substantially improves polynomial sample complexity in the number of qubits $n$, compared to the existing shadow kernel, by constructing a feature space from local quantum information at the correlation length scale. This improvement is particularly notable when each term of the target polynomial involves few local subsystems. Remarkably, for translationally symmetric data, GLQK achieves constant sample complexity, independent of $n$. We numerically demonstrate its high scalability in two learning tasks on quantum many-body phenomena. These results establish new avenues for utilizing experimental data to advance the understanding of quantum many-body physics.

Koki Chinzei, Shinichiro Yamano, Quoc Hoan Tran et al.

Quantum neural networks (QNNs) require an efficient training algorithm to achieve practical quantum advantages. A promising approach is gradient-based optimization, where gradients are estimated by quantum measurements. However, QNNs currently lack general quantum algorithms for efficiently measuring gradients, which limits their scalability. To elucidate the fundamental limits and potentials of efficient gradient estimation, we rigorously prove a trade-off between gradient measurement efficiency (the mean number of simultaneously measurable gradient components) and expressivity in deep QNNs. This trade-off indicates that more expressive QNNs require higher measurement costs per parameter for gradient estimation, while reducing QNN expressivity to suit a given task can increase gradient measurement efficiency. We further propose a general QNN ansatz called the stabilizer-logical product ansatz (SLPA), which achieves the trade-off upper bound by exploiting the symmetric structure of the quantum circuit. Numerical experiments show that the SLPA drastically reduces the sample complexity needed for training while maintaining accuracy and trainability compared to well-designed circuits based on the parameter-shift method.