Jens Eisert

Georgios Karaiskos, Dorian Rudolph, Johannes Jakob Meyer et al.

Classical shadows are succinct classical representations of quantum states which allow one to encode a set of properties P of a quantum state rho, while only requiring measurements on logarithmically many copies of rho in the size of P. In this work, we initiate the study of verification of classical shadows, denoted classical shadow validity (CSV), from the perspective of computational complexity, which asks: Given a classical shadow S, how hard is it to verify that S predicts the measurement statistics of a quantum state? We first show that even for the elegantly simple classical shadow protocol of [Huang, Kueng, Preskill, Nature Physics 2020] utilizing local Clifford measurements, CSV is QMA-complete. This hardness continues to hold for the high-dimensional extension of said protocol due to [Mao, Yi, and Zhu, PRL 2025]. In contrast, we show that for the HKP and MYZ protocols utilizing global Clifford measurements, CSV can be "dequantized" for low-Frobenius norm observables, i.e., solved in randomized poly-time with standard sampling assumptions. Among other results, we also show that CSV for exponentially many observables is complete for a quantum generalization of the second level of the polynomial hierarchy, yielding the first natural complete problem for such a class.

Johannes Jakob Meyer, Marian Mularski, Elies Gil-Fuster et al.

Variational quantum machine learning is an extensively studied application of near-term quantum computers. The success of variational quantum learning models crucially depends on finding a suitable parametrization of the model that encodes an inductive bias relevant to the learning task. However, precious little is known about guiding principles for the construction of suitable parametrizations. In this work, we holistically explore when and how symmetries of the learning problem can be exploited to construct quantum learning models with outcomes invariant under the symmetry of the learning task. Building on tools from representation theory, we show how a standard gateset can be transformed into an equivariant gateset that respects the symmetries of the problem at hand through a process of gate symmetrization. We benchmark the proposed methods on two toy problems that feature a non-trivial symmetry and observe a substantial increase in generalization performance. As our tools can also be applied in a straightforward way to other variational problems with symmetric structure, we show how equivariant gatesets can be used in variational quantum eigensolvers.

Junyu Liu, Minzhao Liu, Jin-Peng Liu et al.

Large machine learning models are revolutionary technologies of artificial intelligence whose bottlenecks include huge computational expenses, power, and time used both in the pre-training and fine-tuning process. In this work, we show that fault-tolerant quantum computing could possibly provide provably efficient resolutions for generic (stochastic) gradient descent algorithms, scaling as O(T^2 polylog(n)), where n is the size of the models and T is the number of iterations in the training, as long as the models are both sufficiently dissipative and sparse, with small learning rates. Based on earlier efficient quantum algorithms for dissipative differential equations, we find and prove that similar algorithms work for (stochastic) gradient descent, the primary algorithm for machine learning. In practice, we benchmark instances of large machine learning models from 7 million to 103 million parameters. We find that, in the context of sparse training, a quantum enhancement is possible at the early stage of learning after model pruning, motivating a sparse parameter download and re-upload scheme. Our work shows solidly that fault-tolerant quantum algorithms could potentially contribute to most state-of-the-art, large-scale machine-learning problems.

Elies Gil-Fuster, Jens Eisert, Vedran Dunjko

One of the most natural connections between quantum and classical machine learning has been established in the context of kernel methods. Kernel methods rely on kernels, which are inner products of feature vectors living in large feature spaces. Quantum kernels are typically evaluated by explicitly constructing quantum feature states and then taking their inner product, here called embedding quantum kernels. Since classical kernels are usually evaluated without using the feature vectors explicitly, we wonder how expressive embedding quantum kernels are. In this work, we raise the fundamental question: can all quantum kernels be expressed as the inner product of quantum feature states? Our first result is positive: Invoking computational universality, we find that for any kernel function there always exists a corresponding quantum feature map and an embedding quantum kernel. The more operational reading of the question is concerned with efficient constructions, however. In a second part, we formalize the question of universality of efficient embedding quantum kernels. For shift-invariant kernels, we use the technique of random Fourier features to show that they are universal within the broad class of all kernels which allow a variant of efficient Fourier sampling. We then extend this result to a new class of so-called composition kernels, which we show also contains projected quantum kernels introduced in recent works. After proving the universality of embedding quantum kernels for both shift-invariant and composition kernels, we identify the directions towards new, more exotic, and unexplored quantum kernel families, for which it still remains open whether they correspond to efficient embedding quantum kernels.

Niklas Pirnay, Ryan Sweke, Jens Eisert et al.

Density modelling is the task of learning an unknown probability density function from samples, and is one of the central problems of unsupervised machine learning. In this work, we show that there exists a density modelling problem for which fault-tolerant quantum computers can offer a super-polynomial advantage over classical learning algorithms, given standard cryptographic assumptions. Along the way, we provide a variety of additional results and insights, of potential interest for proving future distribution learning separations between quantum and classical learning algorithms. Specifically, we (a) provide an overview of the relationships between hardness results in supervised learning and distribution learning, and (b) show that any weak pseudo-random function can be used to construct a classically hard density modelling problem. The latter result opens up the possibility of proving quantum-classical separations for density modelling based on weaker assumptions than those necessary for pseudo-random functions.

Elies Gil-Fuster, Jens Eisert, Carlos Bravo-Prieto

Quantum machine learning models have shown successful generalization performance even when trained with few data. In this work, through systematic randomization experiments, we show that traditional approaches to understanding generalization fail to explain the behavior of such quantum models. Our experiments reveal that state-of-the-art quantum neural networks accurately fit random states and random labeling of training data. This ability to memorize random data defies current notions of small generalization error, problematizing approaches that build on complexity measures such as the VC dimension, the Rademacher complexity, and all their uniform relatives. We complement our empirical results with a theoretical construction showing that quantum neural networks can fit arbitrary labels to quantum states, hinting at their memorization ability. Our results do not preclude the possibility of good generalization with few training data but rather rule out any possible guarantees based only on the properties of the model family. These findings expose a fundamental challenge in the conventional understanding of generalization in quantum machine learning and highlight the need for a paradigm shift in the study of quantum models for machine learning tasks.

Franz J. Schreiber, Jens Eisert, Johannes Jakob Meyer

The advent of noisy intermediate-scale quantum computers has put the search for possible applications to the forefront of quantum information science. One area where hopes for an advantage through near-term quantum computers are high is quantum machine learning, where variational quantum learning models based on parametrized quantum circuits are discussed. In this work, we introduce the concept of a classical surrogate, a classical model which can be efficiently obtained from a trained quantum learning model and reproduces its input-output relations. As inference can be performed classically, the existence of a classical surrogate greatly enhances the applicability of a quantum learning strategy. However, the classical surrogate also challenges possible advantages of quantum schemes. As it is possible to directly optimize the ansatz of the classical surrogate, they create a natural benchmark the quantum model has to outperform. We show that large classes of well-analyzed re-uploading models have a classical surrogate. We conducted numerical experiments and found that these quantum models show no advantage in performance or trainability in the problems we analyze. This leaves only generalization capability as possible point of quantum advantage and emphasizes the dire need for a better understanding of inductive biases of quantum learning models.

Junyu Liu, Frederik Wilde, Antonio Anna Mele et al.

Saddle points constitute a crucial challenge for first-order gradient descent algorithms. In notions of classical machine learning, they are avoided for example by means of stochastic gradient descent methods. In this work, we provide evidence that the saddle points problem can be naturally avoided in variational quantum algorithms by exploiting the presence of stochasticity. We prove convergence guarantees and present practical examples in numerical simulations and on quantum hardware. We argue that the natural stochasticity of variational algorithms can be beneficial for avoiding strict saddle points, i.e., those saddle points with at least one negative Hessian eigenvalue. This insight that some levels of shot noise could help is expected to add a new perspective to notions of near-term variational quantum algorithms.

Frederik Wilde, Augustine Kshetrimayum, Ingo Roth et al.

The physics of a closed quantum mechanical system is governed by its Hamiltonian. However, in most practical situations, this Hamiltonian is not precisely known, and ultimately all there is are data obtained from measurements on the system. In this work, we introduce a highly scalable, data-driven approach to learning families of interacting many-body Hamiltonians from dynamical data, by bringing together techniques from gradient-based optimization from machine learning with efficient quantum state representations in terms of tensor networks. Our approach is highly practical, experimentally friendly, and intrinsically scalable to allow for system sizes of above 100 spins. In particular, we demonstrate on synthetic data that the algorithm works even if one is restricted to one simple initial state, a small number of single-qubit observables, and time evolution up to relatively short times. For the concrete example of the one-dimensional Heisenberg model our algorithm exhibits an error constant in the system size and scaling as the inverse square root of the size of the data set.

Ryan Sweke, Erik Recio-Armengol, Sofiene Jerbi et al.

Quantum machine learning is arguably one of the most explored applications of near-term quantum devices. Much focus has been put on notions of variational quantum machine learning where parameterized quantum circuits (PQCs) are used as learning models. These PQC models have a rich structure which suggests that they might be amenable to efficient dequantization via random Fourier features (RFF). In this work, we establish necessary and sufficient conditions under which RFF does indeed provide an efficient dequantization of variational quantum machine learning for regression. We build on these insights to make concrete suggestions for PQC architecture design, and to identify structures which are necessary for a regression problem to admit a potential quantum advantage via PQC based optimization.

Paolo Andrea Erdman, Robert Czupryniak, Bibek Bhandari et al.

Feedback control of open quantum systems is of fundamental importance for practical applications in various contexts, ranging from quantum computation to quantum error correction and quantum metrology. Its use in the context of thermodynamics further enables the study of the interplay between information and energy. However, deriving optimal feedback control strategies is highly challenging, as it involves the optimal control of open quantum systems, the stochastic nature of quantum measurement, and the inclusion of policies that maximize a long-term time- and trajectory-averaged goal. In this work, we employ a reinforcement learning approach to automate and capture the role of a quantum Maxwell's demon: the agent takes the literal role of discovering optimal feedback control strategies in qubit-based systems that maximize a trade-off between measurement-powered cooling and measurement efficiency. Considering weak or projective quantum measurements, we explore different regimes based on the ordering between the thermalization, the measurement, and the unitary feedback timescales, finding different and highly non-intuitive, yet interpretable, strategies. In the thermalization-dominated regime, we find strategies with elaborate finite-time thermalization protocols conditioned on measurement outcomes. In the measurement-dominated regime, we find that optimal strategies involve adaptively measuring different qubit observables reflecting the acquired information, and repeating multiple weak measurements until the quantum state is "sufficiently pure", leading to random walks in state space. Finally, we study the case when all timescales are comparable, finding new feedback control strategies that considerably outperform more intuitive ones. We discuss a two-qubit example where we explore the role of entanglement and conclude discussing the scaling of our results to quantum many-body systems.

Johannes Jakob Meyer, Asad Raza, Jacopo Rizzo et al.

Our capacity to process information depends on the computational power at our disposal. Information theory captures our ability to distinguish states or communicate messages when it is unconstrained with unrivaled beauty and elegance. For computationally bounded observers the situation is quite different -- they can, for example, be fooled to believe that distributions are more random than they actually are. In our work, we build a new foundation for a computational quantum information theory that captures the essence of complexity-constrained information theory while retaining the look and feel of the unbounded asymptotic theory. As our fundamental quantity, we define the computational relative entropy as the optimal error exponent in asymmetric hypothesis testing when restricted to polynomially many copies and quantum gates, defined in a mathematically rigorous way. Building on this foundation, we prove a computational analogue of Stein's lemma, establish computational versions of fundamental inequalities like Pinsker's bound, and demonstrate a computational smoothing property showing that computationally indistinguishable states yield equivalent information measures. We derive a computational entropy that operationally characterizes optimal compression rates for quantum states under computational limitations and show that our quantities apply to computational entanglement theory, proving a computational version of the Rains bound. Our framework reveals striking separations between computational and unbounded information measures, including quantum-classical gaps that arise from cryptographic assumptions, demonstrating that computational constraints fundamentally alter the information-theoretic landscape and open new research directions at the intersection of quantum information, complexity theory, and cryptography.

Elies Gil-Fuster, Seongwook Shin, Sofiene Jerbi et al.

Quantum kernel methods are among the leading candidates for achieving quantum advantage in supervised learning. A key bottleneck is the cost of inference: evaluating a trained model on new data requires estimating a weighted sum $\sum_{i=1}^N α_i k(x,x_i)$ of $N$ kernel values to additive precision $\varepsilon$, where $α$ is the vector of trained coefficients. The standard approach estimates each term independently via sampling, yielding a query complexity of $O(N\lVertα\rVert_2^2/\varepsilon^2)$. In this work, we identify two independent axes for improvement: (1) How individual kernel values are estimated (sampling versus quantum amplitude estimation), and (2) how the sum is approximated (term-by-term versus via a single observable), and systematically analyze all combinations thereof. The query-optimal combination, encoding the full inference sum as the expectation value of a single observable and applying quantum amplitude estimation, achieves a query complexity of $O(\lVertα\rVert_1/\varepsilon)$, removing the dependence on $N$ from the query count and yielding a quadratic improvement in both $\lVertα\rVert_1$ and $\varepsilon$. We prove a matching lower bound of $Ω(\lVertα\rVert_1/\varepsilon)$, establishing query-optimality of our approach up to logarithmic factors. Beyond query complexity, we also analyze how these improvements translate into gate costs and show that the query-optimal strategy is not always optimal in practice from the perspective of gate complexity. Our results provide both a query-optimal algorithm and a practically optimal choice of strategy depending on hardware capabilities, along with a complete landscape of intermediate methods to guide practitioners. All algorithms require only amplitude estimation as a subroutine and are thus natural candidates for early-fault-tolerant implementations.

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.

Fabian Wiesner, Jens Eisert, Anna Pappa

Delegated quantum computing (DQC) allows clients with low quantum capabilities to outsource computations to a server hosting a quantum computer. This process is often envisioned within the measurement-based quantum computing framework, as it naturally facilitates blindness of inputs and computation. Hence, the overall process of setting up and conducting the computation encompasses a sequence of three stages: preparing the qubits, entangling the qubits to obtain the resource state, and measuring the qubits to run the computation. There are two primary approaches to distributing these stages between the client and the server that impose different constraints on cryptographic techniques and experimental implementations. In the prepare-and-send setting, the client prepares the qubits and sends them to the server, while in the receive-and-measure setting, the client receives the qubits from the server and measures them. Although these settings have been extensively studied independently, their interrelation and whether setting-dependent theoretical constraints are inevitable remain unclear. By implementing the key components of most DQC protocols in the respective missing setting, we provide a method to build prospective protocols in both settings simultaneously and to translate existing protocols from one setting into the other.

Elies Gil-Fuster, Jonas R. Naujoks, Grégoire Montavon et al.

A common trait of many machine learning models is that it is often difficult to understand and explain what caused the model to produce the given output. While the explainability of neural networks has been an active field of research in the last years, comparably little is known for quantum machine learning models. Despite a few recent works analyzing some specific aspects of explainability, as of now there is no clear big picture perspective as to what can be expected from quantum learning models in terms of explainability. In this work, we address this issue by identifying promising research avenues in this direction and lining out the expected future results. We additionally propose two explanation methods designed specifically for quantum machine learning models, as first of their kind to the best of our knowledge. Next to our pre-view of the field, we compare both existing and novel methods to explain the predictions of quantum learning models. By studying explainability in quantum machine learning, we can contribute to the sustainable development of the field, preventing trust issues in the future.

Giovanni Acampora, Andris Ambainis, Natalia Ares et al.

This white paper discusses and explores the various points of intersection between quantum computing and artificial intelligence (AI). It describes how quantum computing could support the development of innovative AI solutions. It also examines use cases of classical AI that can empower research and development in quantum technologies, with a focus on quantum computing and quantum sensing. The purpose of this white paper is to provide a long-term research agenda aimed at addressing foundational questions about how AI and quantum computing interact and benefit one another. It concludes with a set of recommendations and challenges, including how to orchestrate the proposed theoretical work, align quantum AI developments with quantum hardware roadmaps, estimate both classical and quantum resources - especially with the goal of mitigating and optimizing energy consumption - advance this emerging hybrid software engineering discipline, and enhance European industrial competitiveness while considering societal implications.

Yunfei Wang, Ruoxi Jiang, Yingda Fan et al.

A diffusion probabilistic model (DPM) is a generative model renowned for its ability to produce high-quality outputs in tasks such as image and audio generation. However, training DPMs on large, high-dimensional datasets such as high-resolution images or audio incurs significant computational, energy, and hardware costs. In this work, we introduce efficient quantum algorithms for implementing DPMs through various quantum ODE solvers. These algorithms highlight the potential of quantum Carleman linearization for diverse mathematical structures, leveraging state-of-the-art quantum linear system solvers (QLSS) or linear combination of Hamiltonian simulations (LCHS). Specifically, we focus on two approaches: DPM-solver-$k$ which employs exact $k$-th order derivatives to compute a polynomial approximation of $ε_θ(x_λ,λ)$; and UniPC which uses finite difference of $ε_θ(x_λ,λ)$ at different points $(x_{s_m}, λ_{s_m})$ to approximate higher-order derivatives. As such, this work represents one of the most direct and pragmatic applications of quantum algorithms to large-scale machine learning models, presumably taking substantial steps towards demonstrating the practical utility of quantum computing.

Yuxuan Du, Yan Zhu, Yuan-Hang Zhang et al.

Efficient characterization of large-scale quantum systems, especially those produced by quantum analog simulators and megaquop quantum computers, poses a central challenge in quantum science due to the exponential scaling of the Hilbert space with respect to system size. Recent advances in artificial intelligence (AI), with its aptitude for high-dimensional pattern recognition and function approximation, have emerged as a powerful tool to address this challenge. A growing body of research has leveraged AI to represent and characterize scalable quantum systems, spanning from theoretical foundations to experimental realizations. Depending on how prior knowledge and learning architectures are incorporated, the integration of AI into quantum system characterization can be categorized into three synergistic paradigms: machine learning, and, in particular, deep learning and language models. This review discusses how each of these AI paradigms contributes to two core tasks in quantum systems characterization: quantum property prediction and the construction of surrogates for quantum states. These tasks underlie diverse applications, from quantum certification and benchmarking to the enhancement of quantum algorithms and the understanding of strongly correlated phases of matter. Key challenges and open questions are also discussed, together with future prospects at the interface of AI and quantum science.

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.

Sergi Masot-Llima, Elies Gil-Fuster, Carlos Bravo-Prieto et al.

Demonstrating quantum advantage in machine learning tasks requires navigating a complex landscape of proposed models and algorithms. To bring clarity to this search, we introduce a framework that connects the structure of parametrized quantum circuits to the mathematical nature of the functions they can actually learn. Within this framework, we show how fundamental properties, like circuit depth and non-Clifford gate count, directly determine whether a model's output leads to efficient classical simulation or surrogation. We argue that this analysis uncovers common pathways to dequantization that underlie many existing simulation methods. More importantly, it reveals critical distinctions between models that are fully simulatable, those whose function space is classically tractable, and those that remain robustly quantum. This perspective provides a conceptual map of this landscape, clarifying how different models relate to classical simulability and pointing to where opportunities for quantum advantage may lie.

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.

Marcel Hinsche, Marios Ioannou, Alexander Nietner et al.

There is currently a large interest in understanding the potential advantages quantum devices can offer for probabilistic modelling. In this work we investigate, within two different oracle models, the probably approximately correct (PAC) learnability of quantum circuit Born machines, i.e., the output distributions of local quantum circuits. We first show a negative result, namely, that the output distributions of super-logarithmic depth Clifford circuits are not sample-efficiently learnable in the statistical query model, i.e., when given query access to empirical expectation values of bounded functions over the sample space. This immediately implies the hardness, for both quantum and classical algorithms, of learning from statistical queries the output distributions of local quantum circuits using any gate set which includes the Clifford group. As many practical generative modelling algorithms use statistical queries -- including those for training quantum circuit Born machines -- our result is broadly applicable and strongly limits the possibility of a meaningful quantum advantage for learning the output distributions of local quantum circuits. As a positive result, we show that in a more powerful oracle model, namely when directly given access to samples, the output distributions of local Clifford circuits are computationally efficiently PAC learnable by a classical learner. Our results are equally applicable to the problems of learning an algorithm for generating samples from the target distribution (generative modelling) and learning an algorithm for evaluating its probabilities (density modelling). They provide the first rigorous insights into the learnability of output distributions of local quantum circuits from the probabilistic modelling perspective.

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.

Thomas Hubregtsen, Frederik Wilde, Shozab Qasim et al.

Many near-term quantum computing algorithms are conceived as variational quantum algorithms, in which parameterized quantum circuits are optimized in a hybrid quantum-classical setup. Examples are variational quantum eigensolvers, quantum approximate optimization algorithms as well as various algorithms in the context of quantum-assisted machine learning. A common bottleneck of any such algorithm is constituted by the optimization of the variational parameters. A popular set of optimization methods work on the estimate of the gradient, obtained by means of circuit evaluations. We will refer to the way in which one can combine these circuit evaluations as gradient rules. This work provides a comprehensive picture of the family of gradient rules that vary parameters of quantum gates individually. The most prominent known members of this family are the parameter shift rule and the finite differences method. To unite this family, we propose a generalized parameter shift rule that expresses all members of the aforementioned family as special cases, and discuss how all of these can be seen as providing access to a linear combination of exact first- and second-order derivatives. We further prove that a parameter shift rule with one non-shifted evaluation and only one shifted circuit evaluation can not exist does not exist, and introduce a novel perspective for approaching new gradient rules.

Ryan Sweke, Jean-Pierre Seifert, Dominik Hangleiter et al.

Here we study the comparative power of classical and quantum learners for generative modelling within the Probably Approximately Correct (PAC) framework. More specifically we consider the following task: Given samples from some unknown discrete probability distribution, output with high probability an efficient algorithm for generating new samples from a good approximation of the original distribution. Our primary result is the explicit construction of a class of discrete probability distributions which, under the decisional Diffie-Hellman assumption, is provably not efficiently PAC learnable by a classical generative modelling algorithm, but for which we construct an efficient quantum learner. This class of distributions therefore provides a concrete example of a generative modelling problem for which quantum learners exhibit a provable advantage over classical learning algorithms. In addition, we discuss techniques for proving classical generative modelling hardness results, as well as the relationship between the PAC learnability of Boolean functions and the PAC learnability of discrete probability distributions.

Ryan Sweke, Frederik Wilde, Johannes Meyer et al.

Within the context of hybrid quantum-classical optimization, gradient descent based optimizers typically require the evaluation of expectation values with respect to the outcome of parameterized quantum circuits. In this work, we explore the consequences of the prior observation that estimation of these quantities on quantum hardware results in a form of stochastic gradient descent optimization. We formalize this notion, which allows us to show that in many relevant cases, including VQE, QAOA and certain quantum classifiers, estimating expectation values with $k$ measurement outcomes results in optimization algorithms whose convergence properties can be rigorously well understood, for any value of $k$. In fact, even using single measurement outcomes for the estimation of expectation values is sufficient. Moreover, in many settings the required gradients can be expressed as linear combinations of expectation values -- originating, e.g., from a sum over local terms of a Hamiltonian, a parameter shift rule, or a sum over data-set instances -- and we show that in these cases $k$-shot expectation value estimation can be combined with sampling over terms of the linear combination, to obtain "doubly stochastic" gradient descent optimizers. For all algorithms we prove convergence guarantees, providing a framework for the derivation of rigorous optimization results in the context of near-term quantum devices. Additionally, we explore numerically these methods on benchmark VQE, QAOA and quantum-enhanced machine learning tasks and show that treating the stochastic settings as hyper-parameters allows for state-of-the-art results with significantly fewer circuit executions and measurements.

Ivan Glasser, Ryan Sweke, Nicola Pancotti et al.

Tensor-network techniques have enjoyed outstanding success in physics, and have recently attracted attention in machine learning, both as a tool for the formulation of new learning algorithms and for enhancing the mathematical understanding of existing methods. Inspired by these developments, and the natural correspondence between tensor networks and probabilistic graphical models, we provide a rigorous analysis of the expressive power of various tensor-network factorizations of discrete multivariate probability distributions. These factorizations include non-negative tensor-trains/MPS, which are in correspondence with hidden Markov models, and Born machines, which are naturally related to local quantum circuits. When used to model probability distributions, they exhibit tractable likelihoods and admit efficient learning algorithms. Interestingly, we prove that there exist probability distributions for which there are unbounded separations between the resource requirements of some of these tensor-network factorizations. Particularly surprising is the fact that using complex instead of real tensors can lead to an arbitrarily large reduction in the number of parameters of the network. Additionally, we introduce locally purified states (LPS), a new factorization inspired by techniques for the simulation of quantum systems, with provably better expressive power than all other representations considered. The ramifications of this result are explored through numerical experiments. Our findings imply that LPS should be considered over hidden Markov models, and furthermore provide guidelines for the design of local quantum circuits for probabilistic modeling.

Ryan Sweke, Markus S. Kesselring, Evert P. L. van Nieuwenburg et al.

Topological error correcting codes, and particularly the surface code, currently provide the most feasible roadmap towards large-scale fault-tolerant quantum computation. As such, obtaining fast and flexible decoding algorithms for these codes, within the experimentally relevant context of faulty syndrome measurements, is of critical importance. In this work, we show that the problem of decoding such codes, in the full fault-tolerant setting, can be naturally reformulated as a process of repeated interactions between a decoding agent and a code environment, to which the machinery of reinforcement learning can be applied to obtain decoding agents. As a demonstration, by using deepQ learning, we obtain fast decoding agents for the surface code, for a variety of noise-models.