Matthias C. Caro

Matthias C. Caro, Hsin-Yuan Huang, Nicholas Ezzell et al.

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.

Joe Gibbs, Zoë Holmes, Matthias C. Caro et al.

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.

Sofiene Jerbi, Joe Gibbs, Manuel S. Rudolph et al.

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.

Matthias C. Caro

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.

Haimeng Zhao, Laura Lewis, Ishaan Kannan et al.

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.

Matthias C. Caro, Marcel Hinsche, Marios Ioannou et al.

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.

Nikhil Bansal, Matthias C. Caro, Gaurav Mahajan

The impossibility of simultaneously cloning non-orthogonal states lies at the foundations of quantum theory. Even when allowing for approximation errors, cloning an arbitrary unknown pure state requires as many initial copies as needed to fully learn the state. Rather than arbitrary unknown states, modern quantum learning theory often considers structured classes of states and exploits such structure to develop learning algorithms that outperform general-state tomography. This raises the question: How do the sample complexities of learning and cloning relate for such structured classes? We answer this question for an important class of states. Namely, for $n$-qubit stabilizer states, we show that the optimal sample complexity of cloning is $Θ(n)$. Thus, also for this structured class of states, cloning is as hard as learning. To prove these results, we use representation-theoretic tools in the recently proposed Abelian State Hidden Subgroup framework and a new structured version of the recently introduced random purification channel to relate stabilizer state cloning to a variant of the sample amplification problem for probability distributions that was recently introduced in classical learning theory. This allows us to obtain our cloning lower bounds by proving new sample amplification lower bounds for classes of distributions with an underlying linear structure. Our results provide a more fine-grained perspective on No-Cloning theorems, opening up connections from foundations to quantum learning theory and quantum cryptography.

Pablo Rodriguez-Grasa, Matthias C. Caro, Jens Eisert et al.

Generalization is a central concept in machine learning theory, yet for quantum models, it is predominantly analyzed through uniform bounds that depend on a model's overall capacity rather than the specific function learned. These capacity-based uniform bounds are often too loose and entirely insensitive to the actual training and learning process. Previous theoretical guarantees have failed to provide non-uniform, data-dependent bounds that reflect the specific properties of the learned solution rather than the worst-case behavior of the entire hypothesis class. To address this limitation, we derive the first PAC-Bayesian generalization bounds for a broad class of quantum models by analyzing layered circuits composed of general quantum channels, which include dissipative operations such as mid-circuit measurements and feedforward. Through a channel perturbation analysis, we establish non-uniform bounds that depend on the norms of learned parameter matrices; we extend these results to symmetry-constrained equivariant quantum models; and we validate our theoretical framework with numerical experiments. This work provides actionable model design insights and establishes a foundational tool for a more nuanced understanding of generalization in quantum machine learning.

Andreas Bluhm, Matthias C. Caro, Aadil Oufkir

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 $\tildeΩ(2^n)$ many time evolution queries and an expected total evolution time of $\tildeΩ(2^n / \varepsilon)$, and even coherent testers need $Ω(2^{n/2})$ many queries and $Ω(2^{n/2}/\varepsilon)$ 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.

Matthias C. Caro, Jens Eisert, Marcel Hinsche et al.

We consider the problem of testing and learning from data in the presence of resource constraints, such as limited memory or weak data access, which place limitations on the efficiency and feasibility of testing or learning. In particular, we ask the following question: Could a resource-constrained learner/tester use interaction with a resource-unconstrained but untrusted party to solve a learning or testing problem more efficiently than they could without such an interaction? In this work, we answer this question both abstractly and for concrete problems, in two complementary ways: For a wide variety of scenarios, we prove that a resource-constrained learner cannot gain any advantage through classical interaction with an untrusted prover. As a special case, we show that for the vast majority of testing and learning problems in which quantum memory is a meaningful resource, a memory-constrained quantum algorithm cannot overcome its limitations via classical communication with a memory-unconstrained quantum prover. In contrast, when quantum communication is allowed, we construct a variety of interactive proof protocols, for specific learning and testing problems, which allow memory-constrained quantum verifiers to gain significant advantages through delegation to untrusted provers. These results highlight both the limitations and potential of delegating learning and testing problems to resource-rich but untrusted third parties.

Matthias C. Caro, Preksha Naik, Joseph Slote

Properties of Boolean functions can often be tested much faster than the functions can be learned. However, this advantage usually disappears when testers are limited to random samples of a function $f$--a natural setting for data science--rather than queries. In this work we initiate the study of a quantum version of this "data science scenario": quantum algorithms that test properties of $f$ solely from quantum data in the form of copies of the function state $|f\rangle \propto \sum_x|x,f(x)\rangle$. $\bullet$ New tests. For three well-established properties--monotonicity, symmetry, and triangle-freeness--we show that the speedup lost when restricting classical testers to sampled data can be recovered by quantum algorithms operating solely from quantum data. $\bullet$ Inadequacy of Fourier sampling. Our new testers use techniques beyond quantum Fourier sampling, and we show that this necessary. In particular, there is no constant-complexity tester for symmetry relying solely on Fourier sampling and random classical samples. $\bullet$ Classical queries vs. quantum data. We exhibit a testing problem that can be solved from $O(1)$ classical queries but that requires $Ω(2^{n/2})$ function state copies. The Forrelation problem provides a separation of the same magnitude in the opposite direction, so we conclude that quantum data and classical queries are "maximally incomparable" resources for testing. $\bullet$ Towards lower bounds. We also begin the study of lower bounds for testing from quantum data. For quantum monotonicity testing, we prove that the ensembles of Goldreich et al. (2000) and Black (2023), which give exponential lower bounds for classical sample-based testing, do not yield any nontrivial lower bounds for testing from quantum data. New insights specific to quantum data will be required for proving copy complexity lower bounds for testing in this model.

Andreas Bluhm, Matthias C. Caro, Francisco Escudero Gutiérrez et al.

In this work, we study the problems of certifying and learning quantum $k$-local Hamiltonians, for a constant $k$. Our main contributions are as follows: - Certification of Hamiltonians. We show that certifying a local Hamiltonian in normalized Frobenius norm via access to its time-evolution operator can be achieved with only $O(1/\varepsilon)$ evolution time. This is optimal, as it matches the Heisenberg-scaling lower bound of $Ω(1/\varepsilon)$. To our knowledge, this is the first optimal algorithm for testing a Hamiltonian property. A key ingredient in our analysis is the Bonami Hypercontractivity Lemma from Fourier analysis. - Learning Gibbs states. We design an algorithm for learning Gibbs states of local Hamiltonians in trace norm that is sample-efficient in all relevant parameters. In contrast, previous approaches learned the underlying Hamiltonian (which implies learning the Gibbs state), and thus inevitably suffered from exponential sample complexity scaling in the inverse temperature. - Certification of Gibbs states. We give an algorithm for certifying Gibbs states of local Hamiltonians in trace norm that is both sample and time-efficient in all relevant parameters, thereby solving a question posed by Anshu (Harvard Data Science Review, 2022).

Abhishek Anand, Matthias C. Caro, Ari Karchmer et al.

Quantum learning from remotely accessed quantum compute and data must address two key challenges: verifying the correctness of data and ensuring the privacy of the learner's data-collection strategies and resulting conclusions. The covert (verifiable) learning model of Canetti and Karchmer (TCC 2021) provides a framework for endowing classical learning algorithms with such guarantees. In this work, we propose models of covert verifiable learning in quantum learning theory and realize them without computational hardness assumptions for remote data access scenarios motivated by established quantum data advantages. We consider two privacy notions: (i) strategy-covertness, where the eavesdropper does not gain information about the learner's strategy; and (ii) target-covertness, where the eavesdropper does not gain information about the unknown object being learned. We show: Strategy-covert algorithms for making quantum statistical queries via classical shadows; Target-covert algorithms for learning quadratic functions from public quantum examples and private quantum statistical queries, for Pauli shadow tomography and stabilizer state learning from public multi-copy and private single-copy quantum measurements, and for solving Forrelation and Simon's problem from public quantum queries and private classical queries, where the adversary is a unidirectional or i.i.d. ancilla-free eavesdropper. The lattermost results in particular establish that the exponential separation between classical and quantum queries for Forrelation and Simon's problem survives under covertness constraints. Along the way, we design covert verifiable protocols for quantum data acquisition from public quantum queries which may be of independent interest. Overall, our models and corresponding algorithms demonstrate that quantum advantages are privately and verifiably achievable even with untrusted, remote data.

Asad Raza, Matthias C. Caro, Jens Eisert et al.

Among recent insights into learning quantum states, online learning and shadow tomography procedures are notable for their ability to accurately predict expectation values even of adaptively chosen observables. In contrast to the state case, quantum process learning tasks with a similarly adaptive nature have received little attention. In this work, we investigate online learning tasks for quantum processes. Whereas online learning is infeasible for general quantum channels, we show that channels of bounded gate complexity as well as Pauli channels can be online learned in the regret and mistake-bounded models of online learning. In fact, we can online learn probabilistic mixtures of any exponentially large set of known channels. We also provide a provably sample-efficient shadow tomography procedure for Pauli channels. Our results extend beyond quantum channels to non-Markovian multi-time processes, with favorable regret and mistake bounds, as well as a shadow tomography procedure. We complement our online learning upper bounds with mistake as well as computational lower bounds. On the technical side, we make use of the multiplicative weights update algorithm, classical adaptive data analysis, and Bell sampling, as well as tools from the theory of quantum combs for multi-time quantum processes. Our work initiates a study of online learning for classes of quantum channels and, more generally, non-Markovian quantum processes. Given the importance of online learning for state shadow tomography, this may serve as a step towards quantum channel variants of adaptive shadow tomography.

Matthias C. Caro, Hsin-Yuan Huang, M. Cerezo et al.

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.

Matthias C. Caro, Elies Gil-Fuster, Johannes Jakob Meyer et al.

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.

Matthias C. Caro

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 that encode the consistency problem for formal systems and the halting problem for Turing machines into whether certain function classes are trivial/finite or highly complex, which we then relate to whether these classes are learnable via established characterizations of learnability through complexity measures. Our work shows that undecidability appears in the theoretical foundations of artificial intelligence: 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.

Matthias C. Caro

In classical statistical learning theory, one of the most well studied problems is that of binary classification. The information-theoretic sample complexity of this task is tightly characterized by the Vapnik-Chervonenkis (VC) dimension. A quantum analog of this task, with training data given as a quantum state has also been intensely studied and is now known to have the same sample complexity as its classical counterpart. We propose a novel quantum version of the classical binary classification task by considering maps with classical input and quantum output and corresponding classical-quantum training data. We discuss learning strategies for the agnostic and for the realizable case and study their performance to obtain sample complexity upper bounds. Moreover, we provide sample complexity lower bounds which show that our upper bounds are essentially tight for pure output states. In particular, we see that the sample complexity is the same as in the classical binary classification task w.r.t. its dependence on accuracy, confidence and the VC-dimension.

Matthias C. Caro, Ishaun Datta

We characterize the expressive power of quantum circuits with the pseudo-dimension, a measure of complexity for probabilistic concept classes. We prove pseudo-dimension bounds on the output probability distributions of quantum circuits; the upper bounds are polynomial in circuit depth and number of gates. Using these bounds, we exhibit a class of circuit output states out of which at least one has exponential state complexity, and moreover demonstrate that quantum circuits of known polynomial size and depth are PAC-learnable.

Matthias C. Caro

The problem of learning Boolean linear functions from quantum examples w.r.t. the uniform distribution can be solved on a quantum computer using the Bernstein-Vazirani algorithm. A similar strategy can be applied in the case of noisy quantum training data, as was observed in arXiv:1702.08255v2 [quant-ph]. However, extensions of these learning algorithms beyond the uniform distribution have not yet been studied. We employ the biased quantum Fourier transform introduced in arXiv:1802.05690v2 [quant-ph] to develop efficient quantum algorithms for learning Boolean linear functions on $n$ bits from quantum examples w.r.t. a biased product distribution. Our first procedure is applicable to any (except full) bias and requires $\mathcal{O}(\ln (n))$ quantum examples. The number of quantum examples used by our second algorithm is independent of $n$, but the strategy is applicable only for small bias. Moreover, we show that the second procedure is stable w.r.t. noisy training data and w.r.t. faulty quantum gates. This also enables us to solve a version of the learning problem in which the underlying distribution is not known in advance. Finally, we prove lower bounds on the classical and quantum sample complexities of the learning problem. Whereas classically, $Ω(n)$ examples are necessary independently of the bias, we are able to establish a quantum sample complexity lower bound of $Ω(\ln (n))$ only under an assumption of large bias. Nevertheless, this allows for a discussion of the performance of our suggested learning algorithms w.r.t. sample complexity. With our analysis we contribute to a more quantitative understanding of the power and limitations of quantum training data for learning classical functions.