Understanding the dynamics of large quantum systems is hindered by the curse of dimensionality. Statistical learning offers new possibilities in this regime by neural-network protocols and classical shadows, while both methods have limitations: the former is plagued by the predictive uncertainty and the latter lacks the generalization ability. Here we propose a data-centric learning paradigm combining the strength of these two approaches to facilitate diverse quantum system learning (QSL) tasks. Particularly, our paradigm utilizes classical shadows along with other easily obtainable information of quantum systems to create the training dataset, which is then learnt by neural networks to unveil the underlying mapping rule of the explored QSL problem. Capitalizing on the generalization power of neural networks, this paradigm can be trained offline and excel at predicting previously unseen systems at the inference stage, even with few state copies. Besides, it inherits the characteristic of classical shadows, enabling memory-efficient storage and faithful prediction. These features underscore the immense potential of the proposed data-centric approach in discovering novel and large-scale quantum systems. For concreteness, we present the instantiation of our paradigm in quantum state tomography and direct fidelity estimation tasks and conduct numerical analysis up to 60 qubits. Our work showcases the profound prospects of data-centric artificial intelligence to advance QSL in a faithful and generalizable manner.
Cross-platform verification, a critical undertaking in the realm of early-stage quantum computing, endeavors to characterize the similarity of two imperfect quantum devices executing identical algorithms, utilizing minimal measurements. While the random measurement approach has been instrumental in this context, the quasi-exponential computational demand with increasing qubit count hurdles its feasibility in large-qubit scenarios. To bridge this knowledge gap, here we introduce an innovative multimodal learning approach, recognizing that the formalism of data in this task embodies two distinct modalities: measurement outcomes and classical description of compiled circuits on explored quantum devices, both enriched with unique information. Building upon this insight, we devise a multimodal neural network to independently extract knowledge from these modalities, followed by a fusion operation to create a comprehensive data representation. The learned representation can effectively characterize the similarity between the explored quantum devices when executing new quantum algorithms not present in the training data. We evaluate our proposal on platforms featuring diverse noise models, encompassing system sizes up to 50 qubits. The achieved results demonstrate a three-orders-of-magnitude improvement in prediction accuracy compared to the random measurements and offer compelling evidence of the complementary roles played by each modality in cross-platform verification. These findings pave the way for harnessing the power of multimodal learning to overcome challenges in wider quantum system learning tasks.
Quantum Approximate Optimization Algorithm (QAOA) and its variants exhibit immense potential in tackling combinatorial optimization challenges. However, their practical realization confronts a dilemma: the requisite circuit depth for satisfactory performance is problem-specific and often exceeds the maximum capability of current quantum devices. To address this dilemma, here we first analyze the convergence behavior of QAOA, uncovering the origins of this dilemma and elucidating the intricate relationship between the employed mixer Hamiltonian, the specific problem at hand, and the permissible maximum circuit depth. Harnessing this understanding, we introduce the Mixer Generator Network (MG-Net), a unified deep learning framework adept at dynamically formulating optimal mixer Hamiltonians tailored to distinct tasks and circuit depths. Systematic simulations, encompassing Ising models and weighted Max-Cut instances with up to 64 qubits, substantiate our theoretical findings, highlighting MG-Net's superior performance in terms of both approximation ratio and efficiency.
This tutorial intends to introduce readers with a background in AI to quantum machine learning (QML) -- a rapidly evolving field that seeks to leverage the power of quantum computers to reshape the landscape of machine learning. For self-consistency, this tutorial covers foundational principles, representative QML algorithms, their potential applications, and critical aspects such as trainability, generalization, and computational complexity. In addition, practical code demonstrations are provided in https://qml-tutorial.github.io/ to illustrate real-world implementations and facilitate hands-on learning. Together, these elements offer readers a comprehensive overview of the latest advancements in QML. By bridging the gap between classical machine learning and quantum computing, this tutorial serves as a valuable resource for those looking to engage with QML and explore the forefront of AI in the quantum era.
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.
To effectively implement quantum algorithms on noisy intermediate-scale quantum (NISQ) processors is a central task in modern quantum technology. NISQ processors feature tens to a few hundreds of noisy qubits with limited coherence times and gate operations with errors, so NISQ algorithms naturally require employing circuits of short lengths via quantum compilation. Here, we develop a reinforcement learning (RL)-based quantum compiler for a superconducting processor and demonstrate its capability of discovering novel and hardware-amenable circuits with short lengths. We show that for the three-qubit quantum Fourier transformation, a compiled circuit using only seven CZ gates with unity circuit fidelity can be achieved. The compiler is also able to find optimal circuits under device topological constraints, with lengths considerably shorter than those by the conventional method. Our study exemplifies the codesign of the software with hardware for efficient quantum compilation, offering valuable insights for the advancement of RL-based compilers.
Quantum kernels hold great promise for offering computational advantages over classical learners, with the effectiveness of these kernels closely tied to the design of the quantum feature map. However, the challenge of designing effective quantum feature maps for real-world datasets, particularly in the absence of sufficient prior information, remains a significant obstacle. In this study, we present a data-driven approach that automates the design of problem-specific quantum feature maps. Our approach leverages feature-selection techniques to handle high-dimensional data on near-term quantum machines with limited qubits, and incorporates a deep neural predictor to efficiently evaluate the performance of various candidate quantum kernels. Through extensive numerical simulations on different datasets, we demonstrate the superiority of our proposal over prior methods, especially for the capability of eliminating the kernel concentration issue and identifying the feature map with prediction advantages. Our work not only unlocks the potential of quantum kernels for enhancing real-world tasks but also highlights the substantial role of deep learning in advancing quantum machine learning.
The frequent interactions between quantum computing and machine learning revolutionize both fields. One prototypical achievement is the quantum auto-encoder (QAE), as the leading strategy to relieve the curse of dimensionality ubiquitous in the quantum world. Despite its attractive capabilities, practical applications of QAE have yet largely unexplored. To narrow this knowledge gap, here we devise three effective QAE-based learning protocols to address three classically computational hard learning problems when learning quantum systems, which are low-rank state fidelity estimation, quantum Fisher information estimation, and Gibbs state preparation. Attributed to the versatility of QAE, our proposals can be readily executed on near-term quantum machines. Besides, we analyze the error bounds of the trained protocols and showcase the necessary conditions to provide practical utility from the perspective of complexity theory. We conduct numerical simulations to confirm the effectiveness of the proposed three protocols. Our work sheds new light on developing advanced quantum learning algorithms to accomplish hard quantum physics and quantum information processing tasks.
Variational quantum algorithms (VQAs) have the potential of utilizing near-term quantum machines to gain certain computational advantages over classical methods. Nevertheless, modern VQAs suffer from cumbersome computational overhead, hampered by the tradition of employing a solitary quantum processor to handle large-volume data. As such, to better exert the superiority of VQAs, it is of great significance to improve their runtime efficiency. Here we devise an efficient distributed optimization scheme, called QUDIO, to address this issue. Specifically, in QUDIO, a classical central server partitions the learning problem into multiple subproblems and allocate them to multiple local nodes where each of them consists of a quantum processor and a classical optimizer. During the training procedure, all local nodes proceed parallel optimization and the classical server synchronizes optimization information among local nodes timely. In doing so, we prove a sublinear convergence rate of QUDIO in terms of the number of global iteration under the ideal scenario, while the system imperfection may incur divergent optimization. Numerical results on standard benchmarks demonstrate that QUDIO can surprisingly achieve a superlinear runtime speedup with respect to the number of local nodes. Our proposal can be readily mixed with other advanced VQAs-based techniques to narrow the gap between the state of the art and applications with quantum advantage.
The core of quantum machine learning is to devise quantum models with good trainability and low generalization error bound than their classical counterparts to ensure better reliability and interpretability. Recent studies confirmed that quantum neural networks (QNNs) have the ability to achieve this goal on specific datasets. With this regard, it is of great importance to understand whether these advantages are still preserved on real-world tasks. Through systematic numerical experiments, we empirically observe that current QNNs fail to provide any benefit over classical learning models. Concretely, our results deliver two key messages. First, QNNs suffer from the severely limited effective model capacity, which incurs poor generalization on real-world datasets. Second, the trainability of QNNs is insensitive to regularization techniques, which sharply contrasts with the classical scenario. These empirical results force us to rethink the role of current QNNs and to design novel protocols for solving real-world problems with quantum advantages.
A key problem in the field of quantum computing is understanding whether quantum machine learning (QML) models implemented on noisy intermediate-scale quantum (NISQ) machines can achieve quantum advantages. Recently, Huang et al. [Nat Commun 12, 2631] partially answered this question by the lens of quantum kernel learning. Namely, they exhibited that quantum kernels can learn specific datasets with lower generalization error over the optimal classical kernel methods. However, most of their results are established on the ideal setting and ignore the caveats of near-term quantum machines. To this end, a crucial open question is: does the power of quantum kernels still hold under the NISQ setting? In this study, we fill this knowledge gap by exploiting the power of quantum kernels when the quantum system noise and sample error are considered. Concretely, we first prove that the advantage of quantum kernels is vanished for large size of datasets, few number of measurements, and large system noise. With the aim of preserving the superiority of quantum kernels in the NISQ era, we further devise an effective method via indefinite kernel learning. Numerical simulations accord with our theoretical results. Our work provides theoretical guidance of exploring advanced quantum kernels to attain quantum advantages on NISQ devices.
Variational quantum algorithms (VQAs) are expected to be a path to quantum advantages on noisy intermediate-scale quantum devices. However, both empirical and theoretical results exhibit that the deployed ansatz heavily affects the performance of VQAs such that an ansatz with a larger number of quantum gates enables a stronger expressivity, while the accumulated noise may render a poor trainability. To maximally improve the robustness and trainability of VQAs, here we devise a resource and runtime efficient scheme termed quantum architecture search (QAS). In particular, given a learning task, QAS automatically seeks a near-optimal ansatz (i.e., circuit architecture) to balance benefits and side-effects brought by adding more noisy quantum gates to achieve a good performance. We implement QAS on both the numerical simulator and real quantum hardware, via the IBM cloud, to accomplish data classification and quantum chemistry tasks. In the problems studied, numerical and experimental results show that QAS can not only alleviate the influence of quantum noise and barren plateaus, but also outperforms VQAs with pre-selected ansatze.
Noise in quantum information processing is often viewed as a disruptive and difficult-to-avoid feature, especially in near-term quantum technologies. However, noise has often played beneficial roles, from enhancing weak signals in stochastic resonance to protecting the privacy of data in differential privacy. It is then natural to ask, can we harness the power of quantum noise that is beneficial to quantum computing? An important current direction for quantum computing is its application to machine learning, such as classification problems. One outstanding problem in machine learning for classification is its sensitivity to adversarial examples. These are small, undetectable perturbations from the original data where the perturbed data is completely misclassified in otherwise extremely accurate classifiers. They can also be considered as `worst-case' perturbations by unknown noise sources. We show that by taking advantage of depolarisation noise in quantum circuits for classification, a robustness bound against adversaries can be derived where the robustness improves with increasing noise. This robustness property is intimately connected with an important security concept called differential privacy which can be extended to quantum differential privacy. For the protection of quantum data, this is the first quantum protocol that can be used against the most general adversaries. Furthermore, we show how the robustness in the classical case can be sensitive to the details of the classification model, but in the quantum case the details of classification model are absent, thus also providing a potential quantum advantage for classical data that is independent of quantum speedups. This opens the opportunity to explore other ways in which quantum noise can be used in our favour, as well as identifying other ways quantum algorithms can be helpful that is independent of quantum speedups.
A wide range of fundamental machine learning tasks that are addressed by the maximum a posteriori estimation can be reduced to a general minimum conical hull problem. The best-known solution to tackle general minimum conical hull problems is the divide-and-conquer anchoring learning scheme (DCA), whose runtime complexity is polynomial in size. However, big data is pushing these polynomial algorithms to their performance limits. In this paper, we propose a sublinear classical algorithm to tackle general minimum conical hull problems when the input has stored in a sample-based low-overhead data structure. The algorithm's runtime complexity is polynomial in the rank and polylogarithmic in size. The proposed algorithm achieves the exponential speedup over DCA and, therefore, provides advantages for high dimensional problems.
The hybrid quantum-classical learning scheme provides a prominent way to achieve quantum advantages on near-term quantum devices. A concrete example towards this goal is the quantum neural network (QNN), which has been developed to accomplish various supervised learning tasks such as classification and regression. However, there are two central issues that remain obscure when QNN is exploited to accomplish classification tasks. First, a quantum classifier that can well balance the computational cost such as the number of measurements and the learning performance is unexplored. Second, it is unclear whether quantum classifiers can be applied to solve certain problems that outperform their classical counterparts. Here we devise a Grover-search based quantum learning scheme (GBLS) to address the above two issues. Notably, most existing QNN-based quantum classifiers can be seamlessly embedded into the proposed scheme. The key insight behind our proposal is reformulating the classification tasks as the search problem. Numerical simulations exhibit that GBLS can achieve comparable performance with other quantum classifiers under various noise settings, while the required number of measurements is dramatically reduced. We further demonstrate a potential quantum advantage of GBLS over classical classifiers in the measure of query complexity. Our work provides guidance to develop advanced quantum classifiers on near-term quantum devices and opens up an avenue to explore potential quantum advantages in various classification tasks.