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

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 assumed to be 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 distribution different from the training distribution. In this work, we prove out-of-distribution generalization for the task of learning an unknown unitary using a QNN and for a broad class of training and testing distributions. In particular, we show that one can learn the action of a unitary on entangled states using only product state training data. We numerically illustrate this by showing that the evolution of a Heisenberg spin chain can be learned using only product training states. Since product states can be prepared using only single-qubit gates, this advances the prospects of learning quantum dynamics using near term quantum computers and quantum experiments, and further opens up new methods for both the classical and quantum compilation of quantum circuits.

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Jordan Cotler, Hsin-Yuan Huang, Jarrod R. McClean

It has been shown that the apparent advantage of some quantum machine learning algorithms may be efficiently replicated using classical algorithms with suitable data access -- a process known as dequantization. Existing works on dequantization compare quantum algorithms which take copies of an n-qubit quantum state $|x\rangle = \sum_{i} x_i |i\rangle$ as input to classical algorithms which have sample and query (SQ) access to the vector $x$. In this note, we prove that classical algorithms with SQ access can accomplish some learning tasks exponentially faster than quantum algorithms with quantum state inputs. Because classical algorithms are a subset of quantum algorithms, this demonstrates that SQ access can sometimes be significantly more powerful than quantum state inputs. Our findings suggest that the absence of exponential quantum advantage in some learning tasks may be due to SQ access being too powerful relative to quantum state inputs. If we compare quantum algorithms with quantum state inputs to classical algorithms with access to measurement data on quantum states, the landscape of quantum advantage can be dramatically different. We remark that when the quantum states are constructed from exponential-size classical data, comparing SQ access and quantum state inputs is appropriate since both require exponential time to prepare.

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Hsin-Yuan Huang, Michael Broughton, Jordan Cotler, Sitan Chen, Jerry Li, Masoud Mohseni, Hartmut Neven, Ryan Babbush, Richard Kueng, John Preskill, Jarrod R. McClean

Quantum technology has the potential to revolutionize how we acquire and process experimental data to learn about the physical world. An experimental setup that transduces data from a physical system to a stable quantum memory, and processes that data using a quantum computer, could have significant advantages over conventional experiments in which the physical system is measured and the outcomes are processed using a classical computer. We prove that, in various tasks, quantum machines can learn from exponentially fewer experiments than those required in conventional experiments. The exponential advantage holds in predicting properties of physical systems, performing quantum principal component analysis on noisy states, and learning approximate models of physical dynamics. In some tasks, the quantum processing needed to achieve the exponential advantage can be modest; for example, one can simultaneously learn about many noncommuting observables by processing only two copies of the system. Conducting experiments with up to 40 superconducting qubits and 1300 quantum gates, we demonstrate that a substantial quantum advantage can be realized using today's relatively noisy quantum processors. Our results highlight how quantum technology can enable powerful new strategies to learn about nature.

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Sitan Chen, Jordan Cotler, Hsin-Yuan Huang, Jerry Li

We study the power of quantum memory for learning properties of quantum systems and dynamics, which is of great importance in physics and chemistry. Many state-of-the-art learning algorithms require access to an additional external quantum memory. While such a quantum memory is not required a priori, in many cases, algorithms that do not utilize quantum memory require much more data than those which do. We show that this trade-off is inherent in a wide range of learning problems. Our results include the following: (1) We show that to perform shadow tomography on an $n$-qubit state rho with $M$ observables, any algorithm without quantum memory requires $\Omega(\min(M, 2^n))$ samples of rho in the worst case. Up to logarithmic factors, this matches the upper bound of [HKP20] and completely resolves an open question in [Aar18, AR19]. (2) We establish exponential separations between algorithms with and without quantum memory for purity testing, distinguishing scrambling and depolarizing evolutions, as well as uncovering symmetry in physical dynamics. Our separations improve and generalize prior work of [ACQ21] by allowing for a broader class of algorithms without quantum memory. (3) We give the first tradeoff between quantum memory and sample complexity. We prove that to estimate absolute values of all $n$-qubit Pauli observables, algorithms with $k < n$ qubits of quantum memory require at least $\Omega(2^{(n-k)/3})$ samples, but there is an algorithm using $n$-qubit quantum memory which only requires $O(n)$ samples. The separations we show are sufficiently large and could already be evident, for instance, with tens of qubits. This provides a concrete path towards demonstrating real-world advantage for learning algorithms with quantum memory.

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Sitan Chen, Jordan Cotler, Hsin-Yuan Huang, Jerry Li

We prove that given the ability to make entangled measurements on at most $k$ replicas of an $n$-qubit state $\rho$ simultaneously, there is a property of $\rho$ which requires at least order $2^n / k^2$ measurements to learn. However, the same property only requires one measurement to learn if we can make an entangled measurement over a number of replicas polynomial in $k, n$. Because the above holds for each positive integer $k$, we obtain a hierarchy of tasks necessitating progressively more replicas to be performed efficiently. We introduce a powerful proof technique to establish our results, and also use this to provide new bounds for testing the mixedness of a quantum state.

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Matthias C. Caro, Hsin-Yuan Huang, M. Cerezo, Kunal Sharma, Andrew Sornborger, Lukasz Cincio, Patrick J. Coles

Modern quantum machine learning (QML) methods involve variationally optimizing a parameterized quantum circuit on a training data set, and subsequently making predictions on a testing data set (i.e., generalizing). In this work, we provide a comprehensive study of generalization performance in QML after training on a limited number $N$ of training data points. We show that the generalization error of a quantum machine learning model with $T$ trainable gates scales at worst as $\sqrt{T/N}$. When only $K \ll T$ gates have undergone substantial change in the optimization process, we prove that the generalization error improves to $\sqrt{K / N}$. Our results imply that the compiling of unitaries into a polynomial number of native gates, a crucial application for the quantum computing industry that typically uses exponential-size training data, can be sped up significantly. We also show that classification of quantum states across a phase transition with a quantum convolutional neural network requires only a very small training data set. Other potential applications include learning quantum error correcting codes or quantum dynamical simulation. Our work injects new hope into the field of QML, as good generalization is guaranteed from few training data.

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Hsin-Yuan Huang, Richard Kueng, Giacomo Torlai, Victor V. Albert, John Preskill

Classical machine learning (ML) provides a potentially powerful approach to solving challenging quantum many-body problems in physics and chemistry. However, the advantages of ML over more traditional methods have not been firmly established. In this work, we prove that classical ML algorithms can efficiently predict ground state properties of gapped Hamiltonians in finite spatial dimensions, after learning from data obtained by measuring other Hamiltonians in the same quantum phase of matter. In contrast, under widely accepted complexity theory assumptions, classical algorithms that do not learn from data cannot achieve the same guarantee. We also prove that classical ML algorithms can efficiently classify a wide range of quantum phases of matter. Our arguments are based on the concept of a classical shadow, a succinct classical description of a many-body quantum state that can be constructed in feasible quantum experiments and be used to predict many properties of the state. Extensive numerical experiments corroborate our theoretical results in a variety of scenarios, including Rydberg atom systems, 2D random Heisenberg models, symmetry-protected topological phases, and topologically ordered phases.

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