Hamiltonian Property Testing

Locality is a fundamental feature of many physical time evolutions. Assumptions on locality and related structural properties also underlie recently proposed procedures for learning an unknown Hamiltonian from access to the induced time evolution. However, no protocols to rigorously test whether an unknown Hamiltonian is local were known. We investigate Hamiltonian locality testing as a property testing problem, where the task is to determine whether an unknown $n$-qubit Hamiltonian $H$ is $k$-local or $\varepsilon$-far from all $k$-local Hamiltonians, given access to the time evolution along $H$. First, we emphasize the importance of the chosen distance measure: With respect to the operator norm, a worst-case distance measure, incoherent quantum locality testers require $\tilde{\Omega}(2^n)$ many time evolution queries and an expected total evolution time of $\tilde{\Omega}(2^n / \varepsilon)$, and even coherent testers need $\Omega(2^{n/2})$ many queries and $\Omega(2^{n/2}/\varepsilon)$ total evolution time. In contrast, when distances are measured according to the normalized Frobenius norm, corresponding to an average-case distance, we give a sample-, time-, and computationally efficient incoherent Hamiltonian locality testing algorithm based on randomized measurements. In fact, our procedure can be used to simultaneously test a wide class of Hamiltonian properties beyond locality. Finally, we prove that learning a general Hamiltonian remains exponentially hard with this average-case distance, thereby establishing an exponential separation between Hamiltonian testing and learning. Our work initiates the study of property testing for quantum Hamiltonians, demonstrating that a broad class of Hamiltonian properties is efficiently testable even with limited quantum capabilities, and positioning Hamiltonian testing as an independent area of research alongside Hamiltonian learning.

Learning quantum states and unitaries of bounded gate complexity

While quantum state tomography is notoriously hard, most states hold little interest to practically-minded tomographers. Given that states and unitaries appearing in Nature are of bounded gate complexity, it is natural to ask if efficient learning becomes possible. In this work, we prove that to learn a state generated by a quantum circuit with $G$ two-qubit gates to a small trace distance, a sample complexity scaling linearly in $G$ is necessary and sufficient. We also prove that the optimal query complexity to learn a unitary generated by $G$ gates to a small average-case error scales linearly in $G$. While sample-efficient learning can be achieved, we show that under reasonable cryptographic conjectures, the computational complexity for learning states and unitaries of gate complexity $G$ must scale exponentially in $G$. We illustrate how these results establish fundamental limitations on the expressivity of quantum machine learning models and provide new perspectives on no-free-lunch theorems in unitary learning. Together, our results answer how the complexity of learning quantum states and unitaries relate to the complexity of creating these states and unitaries.

Classical Verification of Quantum Learning

Quantum data access and quantum processing can make certain classically intractable learning tasks feasible. However, quantum capabilities will only be available to a select few in the near future. Thus, reliable schemes that allow classical clients to delegate learning to untrusted quantum servers are required to facilitate widespread access to quantum learning advantages. Building on a recently introduced framework of interactive proof systems for classical machine learning, we develop a framework for classical verification of quantum learning. We exhibit learning problems that a classical learner cannot efficiently solve on their own, but that they can efficiently and reliably solve when interacting with an untrusted quantum prover. Concretely, we consider the problems of agnostic learning parities and Fourier-sparse functions with respect to distributions with uniform input marginal. We propose a new quantum data access model that we call "mixture-of-superpositions" quantum examples, based on which we give efficient quantum learning algorithms for these tasks. Moreover, we prove that agnostic quantum parity and Fourier-sparse learning can be efficiently verified by a classical verifier with only random example or statistical query access. Finally, we showcase two general scenarios in learning and verification in which quantum mixture-of-superpositions examples do not lead to sample complexity improvements over classical data. Our results demonstrate that the potential power of quantum data for learning tasks, while not unlimited, can be utilized by classical agents through interaction with untrusted quantum entities.

The power and limitations of learning quantum dynamics incoherently

Quantum process learning is emerging as an important tool to study quantum systems. While studied extensively in coherent frameworks, where the target and model system can share quantum information, less attention has been paid to whether the dynamics of quantum systems can be learned without the system and target directly interacting. Such incoherent frameworks are practically appealing since they open up methods of transpiling quantum processes between the different physical platforms without the need for technically challenging hybrid entanglement schemes. Here we provide bounds on the sample complexity of learning unitary processes incoherently by analyzing the number of measurements that are required to emulate well-established coherent learning strategies. We prove that if arbitrary measurements are allowed, then any efficiently representable unitary can be efficiently learned within the incoherent framework; however, when restricted to shallow-depth measurements only low-entangling unitaries can be learned. We demonstrate our incoherent learning algorithm for low entangling unitaries by successfully learning a 16-qubit unitary on \texttt{ibmq\_kolkata}, and further demonstrate the scalabilty of our proposed algorithm through extensive numerical experiments.

Learning Quantum Processes and Hamiltonians via the Pauli Transfer Matrix

Learning about physical systems from quantum-enhanced experiments, relying on a quantum memory and quantum processing, can outperform learning from experiments in which only classical memory and processing are available. Whereas quantum advantages have been established for a variety of state learning tasks, quantum process learning allows for comparable advantages only with a careful problem formulation and is less understood. We establish an exponential quantum advantage for learning an unknown $n$-qubit quantum process $\mathcal{N}$. We show that a quantum memory allows to efficiently solve the following tasks: (a) learning the Pauli transfer matrix of an arbitrary $\mathcal{N}$, (b) predicting expectation values of bounded Pauli-sparse observables measured on the output of an arbitrary $\mathcal{N}$ upon input of a Pauli-sparse state, and (c) predicting expectation values of arbitrary bounded observables measured on the output of an unknown $\mathcal{N}$ with sparse Pauli transfer matrix upon input of an arbitrary state. With quantum memory, these tasks can be solved using linearly-in-$n$ many copies of the Choi state of $\mathcal{N}$, and even time-efficiently in the case of (b). In contrast, any learner without quantum memory requires exponentially-in-$n$ many queries, even when querying $\mathcal{N}$ on subsystems of adaptively chosen states and performing adaptively chosen measurements. In proving this separation, we extend existing shadow tomography upper and lower bounds from states to channels via the Choi-Jamiolkowski isomorphism. Moreover, we combine Pauli transfer matrix learning with polynomial interpolation techniques to develop a procedure for learning arbitrary Hamiltonians, which may have non-local all-to-all interactions, from short-time dynamics. Our results highlight the power of quantum-enhanced experiments for learning highly complex quantum dynamics.

Dynamical simulation via quantum machine learning with provable generalization

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. This provides a guarantee that our algorithm is resource-efficient, both in terms of qubit and data requirements. Our numerics exhibit efficient scaling with problem size, and we simulate 20 times longer than Trotterization on IBMQ-Bogota.

Out-of-distribution generalization for learning quantum dynamics

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.

Generalization in quantum machine learning from few training data

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.

Encoding-dependent generalization bounds for parametrized quantum circuits

A large body of recent work has begun to explore the potential of parametrized quantum circuits (PQCs) as machine learning models, within the framework of hybrid quantum-classical optimization. In particular, theoretical guarantees on the out-of-sample performance of such models, in terms of generalization bounds, have emerged. However, none of these generalization bounds depend explicitly on how the classical input data is encoded into the PQC. We derive generalization bounds for PQC-based models that depend explicitly on the strategy used for data-encoding. These imply bounds on the performance of trained PQC-based models on unseen data. Moreover, our results facilitate the selection of optimal data-encoding strategies via structural risk minimization, a mathematically rigorous framework for model selection. We obtain our generalization bounds by bounding the complexity of PQC-based models as measured by the Rademacher complexity and the metric entropy, two complexity measures from statistical learning theory. To achieve this, we rely on a representation of PQC-based models via trigonometric functions. Our generalization bounds emphasize the importance of well-considered data-encoding strategies for PQC-based models.

Undecidability of Learnability

Machine learning researchers and practitioners steadily enlarge the multitude of successful learning models. They achieve this through in-depth theoretical analyses and experiential heuristics. However, there is no known general-purpose procedure for rigorously evaluating whether newly proposed models indeed successfully learn from data. We show that such a procedure cannot exist. For PAC binary classification, uniform and universal online learning, and exact learning through teacher-learner interactions, learnability is in general undecidable, both in the sense of independence of the axioms in a formal system and in the sense of uncomputability. Our proofs proceed via computable constructions of function classes that encode the consistency problem for formal systems and the halting problem for Turing machines into complexity measures that characterize learnability. Our work shows that undecidability appears in the theoretical foundations of machine learning: There is no one-size-fits-all algorithm for deciding whether a machine learning model can be successful. We cannot in general automatize the process of assessing new learning models.