Xiao Yuan

Xinbiao Wang, Yuxuan Du, Zhuozhuo Tu et al.

Entanglement serves as the resource to empower quantum computing. Recent progress has highlighted its positive impact on learning quantum dynamics, wherein the integration of entanglement into quantum operations or measurements of quantum machine learning (QML) models leads to substantial reductions in training data size, surpassing a specified prediction error threshold. However, an analytical understanding of how the entanglement degree in data affects model performance remains elusive. In this study, we address this knowledge gap by establishing a quantum no-free-lunch (NFL) theorem for learning quantum dynamics using entangled data. Contrary to previous findings, we prove that the impact of entangled data on prediction error exhibits a dual effect, depending on the number of permitted measurements. With a sufficient number of measurements, increasing the entanglement of training data consistently reduces the prediction error or decreases the required size of the training data to achieve the same prediction error. Conversely, when few measurements are allowed, employing highly entangled data could lead to an increased prediction error. The achieved results provide critical guidance for designing advanced QML protocols, especially for those tailored for execution on early-stage quantum computers with limited access to quantum resources.

Yiming Huang, Huiyuan Wang, Yuxuan Du et al.

Quantum neural networks (QNNs) and quantum kernels stand as prominent figures in the realm of quantum machine learning, poised to leverage the nascent capabilities of near-term quantum computers to surmount classical machine learning challenges. Nonetheless, the training efficiency challenge poses a limitation on both QNNs and quantum kernels, curbing their efficacy when applied to extensive datasets. To confront this concern, we present a unified approach: coreset selection, aimed at expediting the training of QNNs and quantum kernels by distilling a judicious subset from the original training dataset. Furthermore, we analyze the generalization error bounds of QNNs and quantum kernels when trained on such coresets, unveiling the comparable performance with those training on the complete original dataset. Through systematic numerical simulations, we illuminate the potential of coreset selection in expediting tasks encompassing synthetic data classification, identification of quantum correlations, and quantum compiling. Our work offers a useful way to improve diverse quantum machine learning models with a theoretical guarantee while reducing the training cost.

Yuxuan Du, Zhuozhuo Tu, Bujiao Wu et al.

The intrinsic probabilistic nature of quantum mechanics invokes endeavors of designing quantum generative learning models (QGLMs). Despite the empirical achievements, the foundations and the potential advantages of QGLMs remain largely obscure. To narrow this knowledge gap, here we explore the generalization property of QGLMs, the capability to extend the model from learned to unknown data. We consider two prototypical QGLMs, quantum circuit Born machines and quantum generative adversarial networks, and explicitly give their generalization bounds. The result identifies superiorities of QGLMs over classical methods when quantum devices can directly access the target distribution and quantum kernels are employed. We further employ these generalization bounds to exhibit potential advantages in quantum state preparation and Hamiltonian learning. Numerical results of QGLMs in loading Gaussian distribution and estimating ground states of parameterized Hamiltonians accord with the theoretical analysis. Our work opens the avenue for quantitatively understanding the power of quantum generative learning models.

Xiao Yuan

The process of identifying and characterizing B-cell epitopes, which are the portions of antigens recognized by antibodies, is important for our understanding of the immune system, and for many applications including vaccine development, therapeutics, and diagnostics. Computational epitope prediction is challenging yet rewarding as it significantly reduces the time and cost of laboratory work. Most of the existing tools do not have satisfactory performance and only discriminate epitopes from non-epitopes. This paper presents a new deep learning-based multi-task framework for linear B-cell epitope prediction as well as antibody type-specific epitope classification. Specifically, a sequenced-based neural network model using recurrent layers and Transformer blocks is developed. We propose an amino acid encoding method based on eigen decomposition to help the model learn the representations of epitopes. We introduce modifications to standard cross-entropy loss functions by extending a logit adjustment technique to cope with the class imbalance. Experimental results on data curated from the largest public epitope database demonstrate the validity of the proposed methods and the superior performance compared to competing ones.

Yiming Huang, Yajie Hao, Jing Zhou et al.

Variational quantum algorithms (VQAs) are leading strategies to reach practical utilities of near-term quantum devices. However, the no-cloning theorem in quantum mechanics precludes standard backpropagation, leading to prohibitive quantum resource costs when applying VQAs to large-scale tasks. To address this challenge, we reformulate the training dynamics of VQAs as a nonlinear partial differential equation and propose a novel protocol that leverages physics-informed neural networks (PINNs) to model this dynamical system efficiently. Given a small amount of training trajectory data collected from quantum devices, our protocol predicts the parameter updates of VQAs over multiple iterations on the classical side, dramatically reducing quantum resource costs. Through systematic numerical experiments, we demonstrate that our method achieves up to a 30x speedup compared to conventional methods and reduces quantum resource costs by as much as 90\% for tasks involving up to 40 qubits, including ground state preparation of different quantum systems, while maintaining competitive accuracy. Our approach complements existing techniques aimed at improving the efficiency of VQAs and further strengthens their potential for practical applications.

Junyu Liu, Zimu Li, Han Zheng et al.

Rapid developments of quantum information technology show promising opportunities for simulating quantum field theory in near-term quantum devices. In this work, we formulate the theory of (time-dependent) variational quantum simulation of the 1+1 dimensional $λφ^4$ quantum field theory including encoding, state preparation, and time evolution, with several numerical simulation results. These algorithms could be understood as near-term variational quantum circuit (quantum neural network) analogs of the Jordan-Lee-Preskill algorithm, the basic algorithm for simulating quantum field theory using universal quantum devices. Besides, we highlight the advantages of encoding with harmonic oscillator basis based on the LSZ reduction formula and several computational efficiency such as when implementing a bosonic version of the unitary coupled cluster ansatz to prepare initial states. We also discuss how to circumvent the "spectral crowding" problem in the quantum field theory simulation and appraise our algorithm by both state and subspace fidelities.

M. Cerezo, Andrew Arrasmith, Ryan Babbush et al.

Applications such as simulating complicated quantum systems or solving large-scale linear algebra problems are very challenging for classical computers due to the extremely high computational cost. Quantum computers promise a solution, although fault-tolerant quantum computers will likely not be available in the near future. Current quantum devices have serious constraints, including limited numbers of qubits and noise processes that limit circuit depth. Variational Quantum Algorithms (VQAs), which use a classical optimizer to train a parametrized quantum circuit, have emerged as a leading strategy to address these constraints. VQAs have now been proposed for essentially all applications that researchers have envisioned for quantum computers, and they appear to the best hope for obtaining quantum advantage. Nevertheless, challenges remain including the trainability, accuracy, and efficiency of VQAs. Here we overview the field of VQAs, discuss strategies to overcome their challenges, and highlight the exciting prospects for using them to obtain quantum advantage.

Giulio Chiribella, Xiao Yuan

Characterizing quantum correlations in terms of information-theoretic principles is a popular chapter of quantum foundations. Traditionally, the principles adopted for this scope have been expressed in terms of conditional probability distributions, specifying the probability that a black box produces a certain output upon receiving a certain input. This framework is known as "device-independent". Another major chapter of quantum foundations is the information-theoretic characterization of quantum theory, with its sets of states and measurements, and with its allowed dynamics. The different frameworks adopted for this scope are known under the umbrella term "general probabilistic theories". With only a few exceptions, the two programmes on characterizing quantum correlations and characterizing quantum theory have so far proceeded on separate tracks, each one developing its own methods and its own agenda. This paper aims at bridging the gap, by comparing the two frameworks and illustrating how the two programmes can benefit each other.