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arXiv:2204.10268 · Nature Communications

Out-of-distribution generalization for learning quantum dynamics

Matthias C. Caro, Hsin-Yuan Huang, Nic Ezzell, Joe Gibbs, Andrew T. Sornborger, Łukasz Cincio, Patrick J. Coles, Zoë Holmes

Published Jul 5, 2023• 78 citations
arXivHTMLPDF

Abstract

Generalization bounds are a critical tool to assess the training data requirements of Quantum Machine Learning (QML). Recent work has established guarantees for in-distribution generalization of quantum neural networks (QNNs), where training and testing data are drawn from the same data distribution. However, there are currently no results on out-of-distribution generalization in QML, where we require a trained model to perform well even on data drawn from a different distribution to the training distribution. Here, we prove out-of-distribution generalization for the task of learning an unknown unitary. In particular, we show that one can learn the action of a unitary on entangled states having trained only product states. Since product states can be prepared using only single-qubit gates, this advances the prospects of learning quantum dynamics on near term quantum hardware, and further opens up new methods for both the classical and quantum compilation of quantum circuits.

DOI
10.1038/s41467-023-39381-w

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Generalization bounds are a critical tool to assess the training data requirements of Quantum Machine Learning (QML). Recent work has established guarantees for in-distribution generalization of quantum neural networks (QNNs), where training and testing data are drawn from the same data distribution. However, there are currently no results on out-of-distribution generalization in QML, where we require a trained model to perform well even on data drawn from a different distribution to the training distribution. Here, we prove out-of-distribution generalization for the task of learning an unknown unitary. In particular, we show that one can learn the action of a unitary on entangled states having trained only product states. Since product states can be prepared using only single-qubit gates, this advances the prospects of learning quantum dynamics on near term quantum hardware, and further opens up new methods for both the classical and quantum compilation of quantum circuits.
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How much can the action of an unknown unitary dynamics on one family of states reveal about its action elsewhere? We develop a general framework for out-of-distribution quantum dynamics learning based on the first and second moments of the input distribution. These define a notion of the bias and expressivity of an ensemble, which together control generalization between arbitrary mixed-state training and testing distributions. Our framework shows that only studying the action of a unitary on random real states can learn its action on random complex states, that tensor products of unbiased pure-state ensembles preserve expressivity, and that single-qubit risks are independent of bias. It also recovers earlier locally scrambling results as loose special cases and yields tight product-to-Haar bounds. We conclude with a series of no-go results and limited generalization bounds for learning certain channels, which further serve to underscore the distinctive role of unitarity in enabling out-of-distribution generalization.
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Understanding the theoretical capabilities and limitations of quantum machine learning (QML) models to solve machine learning tasks is crucial to advancing both quantum software and hardware developments. Similarly to the classical setting, the performance of QML models can be significantly affected by the limited access to the underlying data set. Previous studies have focused on proving generalization error bounds for any QML models trained on a limited finite training set. We focus on the optimal QML models obtained by training them on a finite training set and establish a tight prediction error bound in terms of the number of trainable gates and the size of training sets. To achieve this, we derive covering number upper bounds and packing number lower bounds for the data re-uploading QML models and linear QML models, respectively, which may be of independent interest. We support our theoretical findings by numerically simulating the QML strategies for function approximation and quantum phase recognition.
Much attention has been paid to dynamical simulation and quantum machine learning (QML) independently as applications for quantum advantage, while the possibility of using QML to enhance dynamical simulations has not been thoroughly investigated. Here we develop a framework for using QML methods to simulate quantum dynamics on near-term quantum hardware. We use generalization bounds, which bound the error a machine learning model makes on unseen data, to rigorously analyze the training data requirements of an algorithm within this framework. Our algorithm is thus resource efficient in terms of qubit and data requirements. Furthermore, our preliminary numerics for the XY model exhibit efficient scaling with problem size, and we simulate 20 times longer than Trotterization on IBMQ-Bogota. Published by the American Physical Society 2024