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We present a polynomial-time classical algorithm for estimating expectation values of arbitrary observables on typical quantum circuits under any incoherent local noise, including non-unital or dephasing. Although previous research demonstrated that some carefully designed quantum circuits affected by non-unital noise cannot be efficiently simulated, we show that this does not apply to average-case circuits, as these can be efficiently simulated using Pauli-path methods. Specifically, we prove that, with high probability over the circuit gates choice, Pauli propagation algorithms with tailored truncation strategies achieve an inversely polynomially small simulation error. This result holds for arbitrary circuit topologies and for any local noise, under the assumption that the distribution of each circuit layer is invariant under single-qubit random gates. Under the same minimal assumptions, we also prove that most noisy circuits can be truncated to an effective logarithmic depth for the task of {estimating} expectation values of observables, thus generalizing prior results to a significantly broader class of circuit ensembles. We further numerically validate our algorithm with simulations on a $6\times6$ lattice of qubits under the effects of amplitude damping and dephasing noise, as well as real-time dynamics on an $11\times11$ lattice of qubits affected by amplitude damping.

In this perspective article, we revisit and critically evaluate prevailing viewpoints on the capabilities and limitations of near-term quantum computing and its potential transition toward fully fault-tolerant quantum computing. We examine theoretical no-go results and their implications, addressing misconceptions about the practicality of quantum error mitigation techniques and variational quantum algorithms. By emphasizing the nuances of error scaling, circuit depth, and algorithmic feasibility, we highlight viable near-term applications and synergies between error mitigation and early fault-tolerant architectures. Our discussion explores strategies for addressing current challenges, such as barren plateaus in variational circuits and the integration of quantum error mitigation and quantum error correction techniques. We aim to underscore the importance of continued innovation in hardware and algorithmic design to bridge the gap between theoretical potential and practical utility, paving the way for meaningful quantum advantage in the era of late noisy intermediate scale and early fault-tolerant quantum devices., Comment: Comments welcome

Efficiently preparing approximate ground-states of large, strongly correlated systems on quantum hardware is challenging and yet nature is innately adept at this. This has motivated the study of thermodynamically inspired approaches to ground-state preparation that aim to replicate cooling processes via imaginary-time evolution. However, synthesizing quantum circuits that efficiently implement imaginary-time evolution is itself difficult, with prior proposals generally adopting heuristic variational approaches or using deep block encodings. Here, we use the insight that quantum imaginary-time evolution is a solution of Brockett's double-bracket flow and synthesize circuits that implement double-bracket flows coherently on the quantum computer. We prove that our Double-Bracket Quantum Imaginary-Time Evolution (DB-QITE) algorithm inherits the cooling guarantees of imaginary-time evolution. Concretely, each step is guaranteed to i) decrease the energy of an initial approximate ground-state by an amount proportion to the energy fluctuations of the initial state and ii) increase the fidelity with the ground-state. Thus DB-QITE provides a means to systematically improve the approximation of a ground-state using shallow circuits.

Understanding the capabilities of classical simulation methods is key to identifying where quantum computers are advantageous. Not only does this ensure that quantum computers are used only where necessary, but also one can potentially identify subroutines that can be offloaded onto a classical device. In this work, we show that it is always possible to generate a classical surrogate of a sub-region (dubbed a "patch") of an expectation landscape produced by a parameterized quantum circuit. That is, we provide a quantum-enhanced classical algorithm which, after simple measurements on a quantum device, allows one to classically simulate approximate expectation values of a subregion of a landscape. We provide time and sample complexity guarantees for a range of families of circuits of interest, and further numerically demonstrate our simulation algorithms on an exactly verifiable simulation of a Hamiltonian variational ansatz and long-time dynamics simulation on a 127-qubit heavy-hex topology., Comment: 10 + 47 pages, 4 figures

Though parameter shift rules have drastically improved gradient estimation methods for several types of quantum circuits, leading to improved performance in downstream tasks, so far they have not been transferable to linear optics with single photons. In this work, we derive an analytical formula for the gradients in these circuits with respect to phaseshifters via a generalized parameter shift rule, where the number of parameter shifts depends linearly on the total number of photons. Experimentally, this enables access to derivatives in photonic systems without the need for finite difference approximations. Building on this, we propose two strategies through which one can reduce the number of shifts in the expression, and hence reduce the overall sample complexity. Numerically, we show that this generalized parameter-shift rule can converge to the minimum of a cost function with fewer parameter update steps than alternative techniques. We anticipate that this method will open up new avenues to solving optimization problems with photonic systems, as well as provide new techniques for the experimental characterization and control of linear optical systems., Comment: 13 + 11 pages, 7 figures

We present a classical algorithm for estimating expectation values of arbitrary observables on most quantum circuits across all circuit architectures and depths, including those with all-to-all connectivity. We prove that for any architecture where each circuit layer is equipped with a measure invariant under single-qubit rotations, our algorithm achieves a small error $\varepsilon$ on all circuits except for a small fraction $\delta$. The computational time is polynomial in qubit count and circuit depth for any small constant $\varepsilon, \delta$, and quasi-polynomial for inverse-polynomially small $\varepsilon, \delta$. For non-classically-simulable input states or observables, the expectation values can be estimated by augmenting our algorithm with classical shadows of the relevant state or observable. Our approach leverages a Pauli-path method under Heisenberg evolution. While prior works are limited to noisy quantum circuits, we establish classical simulability in noiseless regimes. Given that most quantum circuits in an architecture exhibit chaotic and locally scrambling behavior, our work demonstrates that estimating observables of such quantum dynamics is classically tractable across all geometries., Comment: Main text: 8 pages, 3 figures. Appendices: 25 pages, 1 figure

Quantum Convolutional Neural Networks (QCNNs) are widely regarded as a promising model for Quantum Machine Learning (QML). In this work we tie their heuristic success to two facts. First, that when randomly initialized, they can only operate on the information encoded in low-bodyness measurements of their input states. And second, that they are commonly benchmarked on "locally-easy'' datasets whose states are precisely classifiable by the information encoded in these low-bodyness observables subspace. We further show that the QCNN's action on this subspace can be efficiently classically simulated by a classical algorithm equipped with Pauli shadows on the dataset. Indeed, we present a shadow-based simulation of QCNNs on up-to $1024$ qubits for phases of matter classification. Our results can then be understood as highlighting a deeper symptom of QML: Models could only be showing heuristic success because they are benchmarked on simple problems, for which their action can be classically simulated. This insight points to the fact that non-trivial datasets are a truly necessary ingredient for moving forward with QML. To finish, we discuss how our results can be extrapolated to classically simulate other architectures., Comment: 11 + 13 pages , 6 + 3 figures, 1 table

Ground state preparation is a key area where quantum computers are expected to prove advantageous. Double-bracket quantum algorithms (DBQAs) have been recently proposed to diagonalize Hamiltonians and in this work we show how to use them to prepare ground states. We propose to improve an initial state preparation by adding a few steps of DBQAs. The interfaced method systematically achieves a better fidelity while significantly reducing the computational cost of the procedure. For a Heisenberg model, we compile our algorithm using CZ and single-qubit gates into circuits that match capabilities of near-term quantum devices. Moreover, we show that DBQAs can benefit from the experimental availability of increasing circuit depths. Whenever an approximate ground state can be prepared without exhausting the available circuit depth, then DBQAs can be enlisted to algorithmically seek a higher fidelity preparation., Comment: 5 pages + appendix, 4 figures, code available at: https://github.com/qiboteam/boostvqe

Variational quantum computing offers a flexible computational paradigm with applications in diverse areas. However, a key obstacle to realizing their potential is the Barren Plateau (BP) phenomenon. When a model exhibits a BP, its parameter optimization landscape becomes exponentially flat and featureless as the problem size increases. Importantly, all the moving pieces of an algorithm -- choices of ansatz, initial state, observable, loss function and hardware noise -- can lead to BPs when ill-suited. Due to the significant impact of BPs on trainability, researchers have dedicated considerable effort to develop theoretical and heuristic methods to understand and mitigate their effects. As a result, the study of BPs has become a thriving area of research, influencing and cross-fertilizing other fields such as quantum optimal control, tensor networks, and learning theory. This article provides a comprehensive review of the current understanding of the BP phenomenon., Comment: 21 pages, 10 boxes

The barren plateau phenomenon, characterized by loss gradients that vanish exponentially with system size, poses a challenge to scaling variational quantum algorithms. Here we explore the potential of warm starts, whereby one initializes closer to a solution in the hope of enjoying larger loss variances. Focusing on an iterative variational method for learning shorter-depth circuits for quantum real and imaginary time evolution we conduct a case study to elucidate the potential and limitations of warm starts. We start by proving that the iterative variational algorithm will exhibit substantial (at worst vanishing polynomially in system size) gradients in a small region around the initializations at each time-step. Convexity guarantees for these regions are then established, suggesting trainability for polynomial size time-steps. However, our study highlights scenarios where a good minimum shifts outside the region with trainability guarantees. Our analysis leaves open the question whether such minima jumps necessitate optimization across barren plateau landscapes or whether there exist gradient flows, i.e., fertile valleys away from the plateau with substantial gradients, that allow for training., Comment: 9 + 26 pages, 5 + 2 figures

Decoherence and einselection have been effective in explaining several features of an emergent classical world from an underlying quantum theory. However, the theory assumes a particular factorization of the global Hilbert space into constituent system and environment subsystems, as well as specially constructed Hamiltonians. In this work, we take a systematic approach to discover, given a fixed Hamiltonian, (potentially) several factorizations (or tensor product structures) of a global Hilbert space that admit a quasi-classical description of subsystems in the sense that certain states (the "pointer states") are robust to entanglement. We show that every Hamiltonian admits a pointer basis in the factorization where the energy eigenvectors are separable. Furthermore, we implement an algorithm that allows us to discover a multitude of factorizations that admit pointer states and use it to explore these quasi-classical "realms" for both random and structured Hamiltonians. We also derive several analytical forms that the Hamiltonian may take in such factorizations, each with its unique set of features. Our approach has several implications: it enables us to derive the division into quasi-classical subsystems, demonstrates that decohering subsystems do not necessarily align with our classical notion of locality, and challenges ideas expressed by some authors that the propensity of a system to exhibit classical dynamics relies on minimizing the interaction between subsystems. From a quantum foundations perspective, these results lead to interesting ramifications for relative-state interpretations. From a quantum engineering perspective, these results may be useful in characterizing decoherence free subspaces and other passive error avoidance protocols., Comment: 18 Pages including 8 figures and 3 appendices. V2: We have made a number of clarifications to our discussions, and improvements to the bibliography. No changes to our results or conclusions. Those who already have read this paper can see the clarifications by reviewing the conclusions section. The key clarifications appear there and are also echoed in other parts of the paper

The Lipkin and Agassi models are simplified nuclear models that provide natural test beds for quantum simulation methods. Prior work has investigated the suitability of the Variational Quantum Eigensolver (VQE) to find the ground state of these models. There is a growing awareness that if VQE is to prove viable, we will need problem inspired ans\"{a}tze that take into account the symmetry properties of the problem and use clever initialization strategies. Here, by focusing on the Lipkin and Agassi models, we investigate how to do this in the context of nuclear physics ground state problems. We further use our observations to discus the potential of new classical, but quantum-inspired, approaches to learning ground states in nuclear problems., Comment: 7 pages, 4 figures

The Schmidt decomposition is the go-to tool for measuring bipartite entanglement of pure quantum states. Similarly, it is possible to study the entangling features of a quantum operation using its operator-Schmidt, or tensor product decomposition. While quantum technological implementations of the former are thoroughly studied, entangling properties on the operator level are harder to extract in the quantum computational framework because of the exponential nature of sample complexity. Here we present an algorithm for unbalanced partitions into a small subsystem and a large one (the environment) to compute the tensor product decomposition of a unitary whose effect on the small subsystem is captured in classical memory while the effect on the environment is accessible as a quantum resource. This quantum algorithm may be used to make predictions about operator non-locality, effective open quantum dynamics on a subsystem, as well as for finding low-rank approximations and low-depth compilations of quantum circuit unitaries. We demonstrate the method and its applications on a time-evolution unitary of an isotropic Heisenberg model in two dimensions., Comment: 9+13 pages, 3+1 figures

Quantum Extreme Learning Machines (QELMs) have emerged as a promising framework for quantum machine learning. Their appeal lies in the rich feature map induced by the dynamics of a quantum substrate - the quantum reservoir - and the efficient post-measurement training via linear regression. Here we study the expressivity of QELMs by decomposing the prediction of QELMs into a Fourier series. We show that the achievable Fourier frequencies are determined by the data encoding scheme, while Fourier coefficients depend on both the reservoir and the measurement. Notably, the expressivity of QELMs is fundamentally limited by the number of Fourier frequencies and the number of observables, while the complexity of the prediction hinges on the reservoir. As a cautionary note on scalability, we identify four sources that can lead to the exponential concentration of the observables as the system size grows (randomness, hardware noise, entanglement, and global measurements) and show how this can turn QELMs into useless input-agnostic oracles. In particular, our result on the reservoir-induced concentration strongly indicates that quantum reservoirs drawn from a highly random ensemble make QELM models unscalable. Our analysis elucidates the potential and fundamental limitations of QELMs, and lays the groundwork for systematically exploring quantum reservoir systems for other machine learning tasks., Comment: 20+21 pages, 9+2 figures

A large amount of effort has recently been put into understanding the barren plateau phenomenon. In this perspective article, we face the increasingly loud elephant in the room and ask a question that has been hinted at by many but not explicitly addressed: Can the structure that allows one to avoid barren plateaus also be leveraged to efficiently simulate the loss classically? We present strong evidence that commonly used models with provable absence of barren plateaus are also classically simulable, provided that one can collect some classical data from quantum devices during an initial data acquisition phase. This follows from the observation that barren plateaus result from a curse of dimensionality, and that current approaches for solving them end up encoding the problem into some small, classically simulable, subspaces. Thus, while stressing quantum computers can be essential for collecting data, our analysis sheds serious doubt on the non-classicality of the information processing capabilities of parametrized quantum circuits for barren plateau-free landscapes. We end by discussing caveats in our arguments, the role of smart initializations and the possibility of provably superpolynomial, or simply practical, advantages from running parametrized quantum circuits., Comment: 14+15 pages, 5 figures, 2 tables, minor corrections added

Solving optimization problems is a key task for which quantum computers could possibly provide a speedup over the best known classical algorithms. Particular classes of optimization problems including semi-definite programming (SDP) and linear programming (LP) have wide applicability in many domains of computer science, engineering, mathematics, and physics. Here we focus on semi-definite and linear programs for which the dimensions of the variables involved are exponentially large, so that standard classical SDP and LP solvers are not helpful for such large-scale problems. We propose the QSlack and CSlack methods for estimating their optimal values, respectively, which work by 1) introducing slack variables to transform inequality constraints to equality constraints, 2) transforming a constrained optimization to an unconstrained one via the penalty method, and 3) replacing the optimizations over all possible non-negative variables by optimizations over parameterized quantum states and parameterized probability distributions. Under the assumption that the SDP and LP inputs are efficiently measurable observables, it follows that all terms in the resulting objective functions are efficiently estimable by either a quantum computer in the SDP case or a quantum or probabilistic computer in the LP case. Furthermore, by making use of SDP and LP duality theory, we prove that these methods provide a theoretical guarantee that, if one could find global optima of the objective functions, then the resulting values sandwich the true optimal values from both above and below. Finally, we showcase the QSlack and CSlack methods on a variety of example optimization problems and discuss details of our implementation, as well as the resulting performance. We find that our implementations of both the primal and dual for these problems approach the ground truth, typically achieving errors of order $10^{-2}$., Comment: 66 pages, 11 figures

The variational quantum eigensolver (VQE) is a hybrid quantum--classical variational algorithm that produces an upper-bound estimate of the ground-state energy of a Hamiltonian. As quantum computers become more powerful and go beyond the reach of classical brute-force simulation, it is important to assess the quality of solutions produced by them. Here we propose a dual variational quantum eigensolver (dual-VQE) that produces a lower-bound estimate of the ground-state energy. As such, VQE and dual-VQE can serve as quality checks on their solutions; in the ideal case, the VQE upper bound and the dual-VQE lower bound form an interval containing the true optimal value of the ground-state energy. The idea behind dual-VQE is to employ semi-definite programming duality to rewrite the ground-state optimization problem as a constrained maximization problem, which itself can be bounded from below by an unconstrained optimization problem to be solved by a variational quantum algorithm. When using a convex combination ansatz in conjunction with a classical generative model, the quantum computational resources needed to evaluate the objective function of dual-VQE are no greater than those needed for that of VQE. We simulated the performance of dual-VQE on the transverse-field Ising model, and found that, for the example considered, while dual-VQE training is slower and noisier than VQE, it approaches the true value with error of order $10^{-2}$., Comment: 8 pages, 1 figure

We introduce LOWESA as a classical algorithm for faithfully simulating quantum systems via a classically constructed surrogate expectation landscape. After an initial overhead to build the surrogate landscape, one can rapidly study entire families of Hamiltonians, initial states and target observables. As a case study, we simulate the 127-qubit transverse-field Ising quantum system on a heavy-hexagon lattice with up to 20 Trotter steps which was recently presented in Nature 618, 500-505 (2023). Specifically, we approximately reconstruct (in minutes to hours on a laptop) the entire expectation landscape spanned by the heavy-hex Ising model. The expectation of a given observable can then be evaluated at different parameter values, i.e. with different onsite magnetic fields and coupling strengths, in fractions of a second on a laptop. This highlights that LOWESA can attain state-of-the-art performance in quantum simulation tasks, with the potential to become the algorithm of choice for scanning a wide range of systems quickly., Comment: 13 pages, 6 figures

Quantum computers offer an intriguing path for a paradigmatic change of computing in the natural sciences and beyond, with the potential for achieving a so-called quantum advantage, namely a significant (in some cases exponential) speed-up of numerical simulations. The rapid development of hardware devices with various realizations of qubits enables the execution of small scale but representative applications on quantum computers. In particular, the high-energy physics community plays a pivotal role in accessing the power of quantum computing, since the field is a driving source for challenging computational problems. This concerns, on the theoretical side, the exploration of models which are very hard or even impossible to address with classical techniques and, on the experimental side, the enormous data challenge of newly emerging experiments, such as the upgrade of the Large Hadron Collider. In this roadmap paper, led by CERN, DESY and IBM, we provide the status of high-energy physics quantum computations and give examples for theoretical and experimental target benchmark applications, which can be addressed in the near future. Having the IBM 100 x 100 challenge in mind, where possible, we also provide resource estimates for the examples given using error mitigated quantum computing.

Quantum generative models, in providing inherently efficient sampling strategies, show promise for achieving a near-term advantage on quantum hardware. Nonetheless, important questions remain regarding their scalability. In this work, we investigate the barriers to the trainability of quantum generative models posed by barren plateaus and exponential loss concentration. We explore the interplay between explicit and implicit models and losses, and show that using implicit generative models (such as quantum circuit-based models) with explicit losses (such as the KL divergence) leads to a new flavour of barren plateau. In contrast, the Maximum Mean Discrepancy (MMD), which is a popular example of an implicit loss, can be viewed as the expectation value of an observable that is either low-bodied and trainable, or global and untrainable depending on the choice of kernel. However, in parallel, we highlight that the low-bodied losses required for trainability cannot in general distinguish high-order correlations, leading to a fundamental tension between exponential concentration and the emergence of spurious minima. We further propose a new local quantum fidelity-type loss which, by leveraging quantum circuits to estimate the quality of the encoded distribution, is both faithful and enjoys trainability guarantees. Finally, we compare the performance of different loss functions for modelling real-world data from the High-Energy-Physics domain and confirm the trends predicted by our theoretical results., Comment: 20+32 pages, 9+2 figures

Many-body entangled quantum spin systems exhibit emergent phenomena such as topological quantum spin liquids with distinct excitation spectra accessed in inelastic neutron scattering (INS) experiments. Here we simulate the dynamics of a quantum spin dimer, the basic quantum unit of emergent many-body spin systems. While canonical Trotterization methods require deep circuits precluding long time-scale simulations, we demonstrate 'direct' Resource-Efficient Fast-forwarding (REFF) measurements with short-depth circuits that can be used to capture longer time dynamics on quantum hardware. The temporal evolution of the 2-spin correlation coefficients enabled the calculation of the dynamical structure factor $S(\mathbf{Q},\omega)$ - the key component of the neutron scattering cross-section. We simulate the triplet gap and the triplet splitting of the quantum dimer with sufficient fidelity to compare to experimental neutron data. Our results on current circuit hardware pave an important avenue to benchmark, or even predict, the outputs of the costly INS experiments., Comment: 24 pages, 3 tables, 16 figures, main text and supplementary materials

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., Comment: 6+9 pages, 7 figures

The task of learning a quantum circuit to prepare a given mixed state is a fundamental quantum subroutine. We present a variational quantum algorithm (VQA) to learn mixed states which is suitable for near-term hardware. Our algorithm represents a generalization of previous VQAs that aimed at learning preparation circuits for pure states. We consider two different ans\"{a}tze for compiling the target state; the first is based on learning a purification of the state and the second on representing it as a convex combination of pure states. In both cases, the resources required to store and manipulate the compiled state grow with the rank of the approximation. Thus, by learning a lower rank approximation of the target state, our algorithm provides a means of compressing a state for more efficient processing. As a byproduct of our algorithm, one effectively learns the principal components of the target state, and hence our algorithm further provides a new method for principal component analysis. We investigate the efficacy of our algorithm through extensive numerical implementations, showing that typical random states and thermal states of many body systems may be learnt this way. Additionally, we demonstrate on quantum hardware how our algorithm can be used to study hardware noise-induced states., Comment: 17 main + 17 appendix pages, 6 main + 9 appendix figures

Kernel methods in Quantum Machine Learning (QML) have recently gained significant attention as a potential candidate for achieving a quantum advantage in data analysis. Among other attractive properties, when training a kernel-based model one is guaranteed to find the optimal model's parameters due to the convexity of the training landscape. However, this is based on the assumption that the quantum kernel can be efficiently obtained from quantum hardware. In this work we study the performance of quantum kernel models from the perspective of the resources needed to accurately estimate kernel values. We show that, under certain conditions, values of quantum kernels over different input data can be exponentially concentrated (in the number of qubits) towards some fixed value. Thus on training with a polynomial number of measurements, one ends up with a trivial model where the predictions on unseen inputs are independent of the input data. We identify four sources that can lead to concentration including: expressivity of data embedding, global measurements, entanglement and noise. For each source, an associated concentration bound of quantum kernels is analytically derived. Lastly, we show that when dealing with classical data, training a parametrized data embedding with a kernel alignment method is also susceptible to exponential concentration. Our results are verified through numerical simulations for several QML tasks. Altogether, we provide guidelines indicating that certain features should be avoided to ensure the efficient evaluation of quantum kernels and so the performance of quantum kernel methods., Comment: 15+50 pages, 15 figures

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., Comment: 8 pages (main body) + 18 pages (references and appendix); 4+2 figures; V3 includes additional explanations and numerical experiments in the appendix

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., Comment: Main text: 5 pages & 3 Figures. Supplementary Information: 12 pages & 2 Figures

Fluctuation theorems provide a correspondence between properties of quantum systems in thermal equilibrium and a work distribution arising in a non-equilibrium process that connects two quantum systems with Hamiltonians $H_0$ and $H_1=H_0+V$. Building upon these theorems, we present a quantum algorithm to prepare a purification of the thermal state of $H_1$ at inverse temperature $\beta \ge 0$ starting from a purification of the thermal state of $H_0$. The complexity of the quantum algorithm, given by the number of uses of certain unitaries, is $\tilde {\cal O}(e^{\beta (\Delta \! A- w_l)/2})$, where $\Delta \! A$ is the free-energy difference between $H_1$ and $H_0,$ and $w_l$ is a work cutoff that depends on the properties of the work distribution and the approximation error $\epsilon>0$. If the non-equilibrium process is trivial, this complexity is exponential in $\beta \|V\|$, where $\|V\|$ is the spectral norm of $V$. This represents a significant improvement of prior quantum algorithms that have complexity exponential in $\beta \|H_1\|$ in the regime where $\|V\|\ll \|H_1\|$. The dependence of the complexity in $\epsilon$ varies according to the structure of the quantum systems. It can be exponential in $1/\epsilon$ in general, but we show it to be sublinear in $1/\epsilon$ if $H_0$ and $H_1$ commute, or polynomial in $1/\epsilon$ if $H_0$ and $H_1$ are local spin systems. The possibility of applying a unitary that drives the system out of equilibrium allows one to increase the value of $w_l$ and improve the complexity even further. To this end, we analyze the complexity for preparing the thermal state of the transverse field Ising model using different non-equilibrium unitary processes and see significant complexity improvements., Comment: 54 pages, 11 figures

We consider a quantum version of the famous low-rank approximation problem. Specifically, we consider the distance $D(\rho,\sigma)$ between two normalized quantum states, $\rho$ and $\sigma$, where the rank of $\sigma$ is constrained to be at most $R$. For both the trace distance and Hilbert-Schmidt distance, we analytically solve for the optimal state $\sigma$ that minimizes this distance. For the Hilbert-Schmidt distance, the unique optimal state is $\sigma = \tau_R +N_R$, where $\tau_R = \Pi_R \rho \Pi_R$ is given by projecting $\rho$ onto its $R$ principal components with projector $\Pi_R$, and $N_R$ is a normalization factor given by $N_R = \frac{1- \text{Tr}(\tau_R)}{R}\Pi_R$. For the trace distance, this state is also optimal but not uniquely optimal, and we provide the full set of states that are optimal. We briefly discuss how our results have application for performing principal component analysis (PCA) via variational optimization on quantum computers., Comment: 9 pages, 1 figure

While quantum computers are naturally well-suited to implementing linear operations, it is less clear how to implement nonlinear operations on quantum computers. However, nonlinear subroutines may prove key to a range of applications of quantum computing from solving nonlinear equations to data processing and quantum machine learning. Here we develop a series of basic subroutines for implementing nonlinear transformations of input quantum states. Our algorithms are framed around the concept of a weighted state, a mathematical entity describing the output of an operational procedure involving both quantum circuits and classical post-processing., Comment: 10 pages, 9 figures in the main text. 14 pages, 6 figures in the Appendices

There is great interest in using near-term quantum computers to simulate and study foundational problems in quantum mechanics and quantum information science, such as the scrambling measured by an out-of-time-ordered correlator (OTOC). Here we use an IBM Q processor, quantum error mitigation, and weaved Trotter simulation to study high-resolution operator spreading in a 4-spin Ising model as a function of space, time, and integrability. Reaching 4 spins while retaining high circuit fidelity is made possible by the use of a physically motivated fixed-node variant of the OTOC, allowing scrambling to be estimated without overhead. We find clear signatures of ballistic operator spreading in a chaotic regime, as well as operator localization in an integrable regime. The techniques developed and demonstrated here open up the possibility of using cloud-based quantum computers to study and visualize scrambling phenomena, as well as quantum information dynamics more generally.

Quantum compiling, where a parameterized quantum circuit is trained to learn a target unitary, is an important primitive for quantum computing that can be used as a subroutine to obtain optimal circuits or as a tomographic tool to study the dynamics of an experimental system. While much attention has been paid to quantum compiling on discrete variable hardware, less has been paid to compiling in the continuous variable paradigm. Here we motivate several, closely related, short depth continuous variable algorithms for quantum compilation. We analyse the trainability of our proposed cost functions and numerically demonstrate our algorithms by learning arbitrary Gaussian operations and Kerr non-linearities. We further make connections between this framework and quantum learning theory in the continuous variable setting by deriving No-Free-Lunch theorems. These generalization bounds demonstrate a linear resource reduction for learning Gaussian unitaries using entangled coherent-Fock states and an exponential resource reduction for learning arbitrary unitaries using Two-Mode-Squeezed states., Comment: 20 pages, 7 figures

Optimizing parameterized quantum circuits (PQCs) is the leading approach to make use of near-term quantum computers. However, very little is known about the cost function landscape for PQCs, which hinders progress towards quantum-aware optimizers. In this work, we investigate the connection between three different landscape features that have been observed for PQCs: (1) exponentially vanishing gradients (called barren plateaus), (2) exponential cost concentration about the mean, and (3) the exponential narrowness of minina (called narrow gorges). We analytically prove that these three phenomena occur together, i.e., when one occurs then so do the other two. A key implication of this result is that one can numerically diagnose barren plateaus via cost differences rather than via the computationally more expensive gradients. More broadly, our work shows that quantum mechanics rules out certain cost landscapes (which otherwise would be mathematically possible), and hence our results are interesting from a quantum foundations perspective., Comment: 7+5 pages, 2+1 figures, updated to published version

Currently available quantum hardware allows for small scale implementations of quantum machine learning algorithms. Such experiments aid the search for applications of quantum computers by benchmarking the near-term feasibility of candidate algorithms. Here we demonstrate the quantum learning of a two-qubit unitary by a sequence of three parameterized quantum circuits containing a total of 21 variational parameters. Moreover, we variationally diagonalize the unitary to learn its spectral decomposition, i.e., its eigenvalues and eigenvectors. We illustrate how this can be used as a subroutine to compress the depth of dynamical quantum simulations. One can view our implementation as a demonstration of entanglement-enhanced machine learning, as only a single (entangled) training data pair is required to learn a 4x4 unitary matrix.

Moderate-size quantum computers are now publicly accessible over the cloud, opening the exciting possibility of performing dynamical simulations of quantum systems. However, while rapidly improving, these devices have short coherence times, limiting the depth of algorithms that may be successfully implemented. Here we demonstrate that, despite these limitations, it is possible to implement long-time, high fidelity simulations on current hardware. Specifically, we simulate an XY-model spin chain on the Rigetti and IBM quantum computers, maintaining a fidelity of at least 0.9 for over 600 time steps. This is a factor of 150 longer than is possible using the iterated Trotter method. Our simulations are performed using a new algorithm that we call the fixed state Variational Fast Forwarding (fsVFF) algorithm. This algorithm decreases the circuit depth and width required for a quantum simulation by finding an approximate diagonalization of a short time evolution unitary. Crucially, fsVFF only requires finding a diagonalization on the subspace spanned by the initial state, rather than on the total Hilbert space as with previous methods, substantially reducing the required resources. We further demonstrate the viability of fsVFF through large numerical implementations of the algorithm, as well as an analysis of its noise resilience and the scaling of simulation errors., Comment: Main text: 14 pages, 11 Figures. Appendices: 10 pages, 1 Figure

Parameterized quantum circuits serve as ans\"{a}tze for solving variational problems and provide a flexible paradigm for programming near-term quantum computers. Ideally, such ans\"{a}tze should be highly expressive so that a close approximation of the desired solution can be accessed. On the other hand, the ansatz must also have sufficiently large gradients to allow for training. Here, we derive a fundamental relationship between these two essential properties: expressibility and trainability. This is done by extending the well established barren plateau phenomenon, which holds for ans\"{a}tze that form exact 2-designs, to arbitrary ans\"{a}tze. Specifically, we calculate the variance in the cost gradient in terms of the expressibility of the ansatz, as measured by its distance from being a 2-design. Our resulting bounds indicate that highly expressive ans\"{a}tze exhibit flatter cost landscapes and therefore will be harder to train. Furthermore, we provide numerics illustrating the effect of expressiblity on gradient scalings, and we discuss the implications for designing strategies to avoid barren plateaus., Comment: Main text: 10 pages, 4 figures. Appendices: 10 pages, 2 figures

Scrambling processes, which rapidly spread entanglement through many-body quantum systems, are difficult to investigate using standard techniques, but are relevant to quantum chaos and thermalization. In this Letter, we ask if quantum machine learning (QML) could be used to investigate such processes. We prove a no-go theorem for learning an unknown scrambling process with QML, showing that any variational ansatz is highly probable to have a barren plateau landscape, i.e., cost gradients that vanish exponentially in the system size. This implies that the required resources scale exponentially even when strategies to avoid such scaling (e.g., from ansatz-based barren plateaus or No-Free-Lunch theorems) are employed. Furthermore, we numerically and analytically extend our results to approximate scramblers. Hence, our work places generic limits on the learnability of unitaries when lacking prior information., Comment: 5 pages, 3 figures in the main text. 6 pages, 1 figure in the supplementary information. Comments welcome

Dynamical quantum simulation may be one of the first applications to see quantum advantage. However, the circuit depth of standard Trotterization methods can rapidly exceed the coherence time of noisy quantum computers. This has led to recent proposals for variational approaches to dynamical simulation. In this work, we aim to make variational dynamical simulation even more practical and near-term. We propose a new algorithm called Variational Hamiltonian Diagonalization (VHD), which approximately transforms a given Hamiltonian into a diagonal form that can be easily exponentiated. VHD allows for fast forwarding, i.e., simulation beyond the coherence time of the quantum computer with a fixed-depth quantum circuit. It also removes Trotterization error and allows simulation of the entire Hilbert space. We prove an operational meaning for the VHD cost function in terms of the average simulation fidelity. Moreover, we prove that the VHD cost function does not exhibit a shallow-depth barren plateau, i.e., its gradient does not vanish exponentially. Our proof relies on locality of the Hamiltonian, and hence we connect locality to trainability. Our numerical simulations verify that VHD can be used for fast-forwarding dynamics., Comment: 7+5 pages, 4+1 figures

The no-free-lunch (NFL) theorem is a celebrated result in learning theory that limits one's ability to learn a function with a training data set. With the recent rise of quantum machine learning, it is natural to ask whether there is a quantum analog of the NFL theorem, which would restrict a quantum computer's ability to learn a unitary process (the quantum analog of a function) with quantum training data. However, in the quantum setting, the training data can possess entanglement, a strong correlation with no classical analog. In this work, we show that entangled data sets lead to an apparent violation of the (classical) NFL theorem. This motivates a reformulation that accounts for the degree of entanglement in the training set. As our main result, we prove a quantum NFL theorem whereby the fundamental limit on the learnability of a unitary is reduced by entanglement. We employ Rigetti's quantum computer to test both the classical and quantum NFL theorems. Our work establishes that entanglement is a commodity in quantum machine learning., Comment: v2: 7+13 pages, 4+2 figures, final version accepted for publication in Physical Review Letters

For a thought experiment concerning the mixing of two classical gases, Gibbs concluded that the work that can be extracted from mixing is determined by whether or not the gases can be distinguished by a semi-permeable membrane; that is, the mixing work is a discontinuous function of how similar the gases are. Here we describe an optomechanical setup that generalises Gibbs' thought experiment to partially distinguishable quantum gases. Specifically, we model the interaction between a polarising beamsplitter, that plays the role of a semi-permeable membrane, and two photon gases of non-orthogonal polarisation. We find that the work arising from the mixing of the gases is related to the potential energy associated with the displacement of the microscopic membrane, and we derive a general quantum mixing work expression, valid for any two photon gases with the same number distribution. The quantum mixing work is found to change continuously with the distinguishability of the two polarised gases. In addition, fluctuations of the work on the microscopic membrane become important, which we calculate for Fock and thermal states of the photon gases. Our findings generalise Gibbs' mixing to the quantum regime and open the door for new quantum thermodynamic (thought) experiments with quantum gases with non-orthogonal polarisations and microscopic pistons that can distinguish orthogonal polarisations., Comment: Final published version. Note the notation has been modified since the first version to make it consistent with Phys. Rev. Lett. 124, 210601, (2020)

Thought experiments involving gases and pistons, such as Maxwell's demon and Gibbs' mixing, are central to our understanding of thermodynamics. Here we present a quantum thermodynamic thought experiment in which the energy transfer from two photonic gases to a piston membrane grows quadratically with the number of photons for indistinguishable gases, while linearly for distinguishable gases. This signature of Bosonic bunching may be observed in optomechanical experiments, highlighting the potential of these systems for the realisation of thermodynamic thought experiments in the quantum realm., Comment: 5 pages and 4 figures in the main text, 5 pages and 1 figure in the supplementary material

In recent years a quantum information theoretic framework has emerged for incorporating non-classical phenomena into fluctuation relations. Here we elucidate this framework by exploring deviations from classical fluctuation relations resulting from the athermality of the initial thermal system and quantum coherence of the system's energy supply. In particular we develop Crooks-like equalities for an oscillator system which is prepared either in photon added or photon subtracted thermal states and derive a Jarzynski-like equality for average work extraction. We use these equalities to discuss the extent to which adding or subtracting a photon increases the informational content of a state thereby amplifying the suppression of free energy increasing process. We go on to derive a Crooks-like equality for an energy supply that is prepared in a pure binomial state, leading to a non-trivial contribution from energy and coherence on the resultant irreversibility. We show how the binomial state equality fits in relation to a previously derived coherent state equality and offers a richer feature-set., Comment: 22 pages, 5 figures, accepted by Entropy

Trotterization-based, iterative approaches to quantum simulation are restricted to simulation times less than the coherence time of the quantum computer, which limits their utility in the near term. Here, we present a hybrid quantum-classical algorithm, called Variational Fast Forwarding (VFF), for decreasing the quantum circuit depth of quantum simulations. VFF seeks an approximate diagonalization of a short-time simulation to enable longer-time simulations using a constant number of gates. Our error analysis provides two results: (1) the simulation error of VFF scales at worst linearly in the fast-forwarded simulation time, and (2) our cost function's operational meaning as an upper bound on average-case simulation error provides a natural termination condition for VFF. We implement VFF for the Hubbard, Ising, and Heisenberg models on a simulator. Additionally, we implement VFF on Rigetti's quantum computer to demonstrate simulation beyond the coherence time. Finally, we show how to estimate energy eigenvalues using VFF., Comment: 13 + 7 pages, 7 figures