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Artificial intelligence (AI) advancements over the past few years have had an unprecedented and revolutionary impact across everyday application areas. Its significance also extends to technical challenges within science and engineering, including the nascent field of quantum computing (QC). The counterintuitive nature and high-dimensional mathematics of QC make it a prime candidate for AI's data-driven learning capabilities, and in fact, many of QC's biggest scaling challenges may ultimately rest on developments in AI. However, bringing leading techniques from AI to QC requires drawing on disparate expertise from arguably two of the most advanced and esoteric areas of computer science. Here we aim to encourage this cross-pollination by reviewing how state-of-the-art AI techniques are already advancing challenges across the hardware and software stack needed to develop useful QC - from device design to applications. We then close by examining its future opportunities and obstacles in this space., Comment: 42 pages, 7 figures, 2 tables

Neural quantum states (NQS) have emerged as a powerful ansatz for variational quantum Monte Carlo studies of strongly-correlated systems. Here, we apply recurrent neural networks (RNNs) and autoregressive transformer neural networks to the Fermi-Hubbard and the (non-Hermitian) Hatano-Nelson-Hubbard models in one and two dimensions. In both cases, we observe that the convergence of the RNN ansatz is challenged when increasing the interaction strength. We present a physically-motivated and easy-to-implement strategy for improving the optimization, namely, by ramping of the model parameters. Furthermore, we investigate the advantages and disadvantages of the autoregressive sampling property of both network architectures. For the Hatano-Nelson-Hubbard model, we identify convergence issues that stem from the autoregressive sampling scheme in combination with the non-Hermitian nature of the model. Our findings provide insights into the challenges of the NQS approach and make the first step towards exploring strongly-correlated electrons using this ansatz.

Spin-based semiconductor qubits hold promise for scalable quantum computing, yet they require reliable autonomous calibration procedures. This study presents an experimental demonstration of online single-dot charge autotuning using a convolutional neural network integrated into a closed-loop calibration system. The autotuning algorithm explores the gates' voltage space to localize charge transition lines, thereby isolating the one-electron regime without human intervention. In 20 experimental runs on a device cooled to 25mK, the method achieved a success rate of 95% in locating the target electron regime, highlighting the robustness of this method against noise and distribution shifts from the offline training set. Each tuning run lasted an average of 2 hours and 9 minutes, primarily due to the limited speed of the current measurement. This work validates the feasibility of machine learning-driven real-time charge autotuning for quantum dot devices, advancing the development toward the control of large qubit arrays., Comment: 6 pages (main) + 5 pages (supplementary)

Autoregressive models are a class of generative model that probabilistically predict the next output of a sequence based on previous inputs. The autoregressive sequence is by definition one-dimensional (1D), which is natural for language tasks and hence an important component of modern architectures like recurrent neural networks (RNNs) and transformers. However, when language models are used to predict outputs on physical systems that are not intrinsically 1D, the question arises of which choice of autoregressive sequence -- if any -- is optimal. In this paper, we study the reconstruction of critical correlations in the two-dimensional (2D) Ising model, using RNNs and transformers trained on binary spin data obtained near the thermal phase transition. We compare the training performance for a number of different 1D autoregressive sequences imposed on finite-size 2D lattices. We find that paths with long 1D segments are more efficient at training the autoregressive models compared to space-filling curves that better preserve the 2D locality. Our results illustrate the potential importance in choosing the optimal autoregressive sequence ordering when training modern language models for tasks in physics., Comment: 12 pages, 4 figures

This study presents a machine-learning-based procedure to automate the charge tuning of semiconductor spin qubits with minimal human intervention, addressing one of the significant challenges in scaling up quantum dot technologies. This method exploits artificial neural networks to identify noisy transition lines in stability diagrams, guiding a robust exploration strategy leveraging neural networks' uncertainty estimations. Tested across three distinct offline experimental datasets representing different single quantum dot technologies, the approach achieves over 99% tuning success rate in optimal cases, where more than 10% of the success is directly attributable to uncertainty exploitation. The challenging constraints of small training sets containing high diagram-to-diagram variability allowed us to evaluate the capabilities and limits of the proposed procedure., Comment: 12 pages (main) + 14 pages (supplementary)

We introduce a generative pretained transformer (GPT) designed to learn the measurement outcomes of a neutral atom array quantum computer. Based on a vanilla transformer, our encoder-decoder architecture takes as input the interacting Hamiltonian, and outputs an autoregressive sequence of qubit measurement probabilities. Its performance is studied in the vicinity of a quantum phase transition in Rydberg atoms in a square lattice array. We explore the ability of the architecture to generalize, by producing groundstate measurements for Hamiltonian parameters not seen in the training set. We focus on examples of physical observables obtained from inference on three different models, trained in fixed compute time on a single NVIDIA A100 GPU. These can act as benchmarks for the scaling of larger RydbergGPT models in the future. Finally, we provide RydbergGPT open source, to aid in the development of foundation models based off of a wide variety of quantum computer interactions and data sets in the future., Comment: 9 pages, 4 figures

Rydberg atom array experiments have demonstrated the ability to act as powerful quantum simulators, preparing strongly-correlated phases of matter which are challenging to study for conventional computer simulations. A key direction has been the implementation of interactions on frustrated geometries, in an effort to prepare exotic many-body states such as spin liquids and glasses. In this paper, we apply two-dimensional recurrent neural network (RNN) wave functions to study the ground states of Rydberg atom arrays on the kagome lattice. We implement an annealing scheme to find the RNN variational parameters in regions of the phase diagram where exotic phases may occur, corresponding to rough optimization landscapes. For Rydberg atom array Hamiltonians studied previously on the kagome lattice, our RNN ground states show no evidence of exotic spin liquid or emergent glassy behavior. In the latter case, we argue that the presence of a non-zero Edwards-Anderson order parameter is an artifact of the long autocorrelations times experienced with quantum Monte Carlo simulations. This result emphasizes the utility of autoregressive models, such as RNNs, to explore Rydberg atom array physics on frustrated lattices and beyond., Comment: 13 pages, 5 figures, 3 tables. Link to GitHub repository: https://github.com/mhibatallah/RNNWavefunctions

In this paper, we present a general framework for quantum many-body simulations called the operator learning renormalization group (OLRG). Inspired by machine learning perspectives, OLRG is a generalization of Wilson's numerical renormalization group and White's density matrix renormalization group, which recursively builds a simulatable system to approximate a target system of the same number of sites via operator maps. OLRG uses a loss function to minimize the error of a target property directly by learning the operator map in lieu of a state ansatz. This loss function is designed by a scaling consistency condition that also provides a provable bound for real-time evolution. We implement two versions of the operator maps for classical and quantum simulations. The former, which we call the Operator Matrix Map, can be implemented via neural networks on classical computers. The latter, which we call the Hamiltonian Expression Map, generates device pulse sequences to leverage the capabilities of quantum computing hardware. We illustrate the performance of both maps for calculating time-dependent quantities in the quantum Ising model Hamiltonian., Comment: 18 pages, 14 figures

Harnessing quantum correlations can enable sensing beyond the classical limits of precision, with the realization of such sensors poised for transformative impacts across science and engineering. Real devices, however, face the accumulated impacts of noise effects, architecture constraints, and finite sampling rates, making the design and success of practical quantum sensors challenging. Numerical and theoretical frameworks that support the optimization and analysis of imperfections from one end of a sensing protocol through to the other (i.e., from probe state preparation through to parameter estimation) are thus crucial for translating quantum advantage into widespread practice. Here, we present an end-to-end variational framework for quantum sensing protocols, where parameterized quantum circuits and neural networks form trainable, adaptive models for quantum sensor dynamics and estimation, respectively. The framework is general and can be adapted towards arbitrary qubit architectures, as we demonstrate with experimentally-relevant ans\"atze for trapped-ion and photonic systems, and enables to directly quantify the impacts that noisy state preparation/measurement and finite data sampling have on parameter estimation. End-to-end variational frameworks can thus underpin powerful design and analysis tools for realizing quantum advantage in practical, robust sensors., Comment: 10 pages, 4 figures

Quantum computers hold the promise of solving certain problems that lie beyond the reach of conventional computers. Establishing this capability, especially for impactful and meaningful problems, remains a central challenge. One such problem is the simulation of nonequilibrium dynamics of a magnetic spin system quenched through a quantum phase transition. State-of-the-art classical simulations demand resources that grow exponentially with system size. Here we show that superconducting quantum annealing processors can rapidly generate samples in close agreement with solutions of the Schr\"odinger equation. We demonstrate area-law scaling of entanglement in the model quench in two-, three- and infinite-dimensional spin glasses, supporting the observed stretched-exponential scaling of effort for classical approaches. We assess approximate methods based on tensor networks and neural networks and conclude that no known approach can achieve the same accuracy as the quantum annealer within a reasonable timeframe. Thus quantum annealers can answer questions of practical importance that classical computers cannot.

We perform a quantum Monte Carlo simulation of the resonating valence bond wavefunction on a two-dimensional square lattice with periodic boundary conditions. Using two replicas of the system, we calculate the second Renyi entropy on a spatial bipartition with a square geometry. Through a finite-size scaling analysis, we extract the logarithmic correction to the area law due to the presence of the sharp corners in the entangling surface. We find that the coefficient of this logarithm is positive with a value of 0.073 for a single $90^{\circ}$ corner., Comment: 4 pages, 5 figures

GraphiQ is a versatile open-source framework for designing photonic graph state generation schemes, with a particular emphasis on photon-emitter hybrid circuits. Built in Python, GraphiQ consists of a suite of design tools, including multiple simulation backends and optimization methods. The library supports scheme optimization in the presence of circuit imperfections, as well as user-defined optimization goals. Our framework thus represents a valuable tool for the development of practical schemes adhering to experimentally-relevant constraints. As graph states are a key resource for measurement-based quantum computing, all-photonic quantum repeaters, and robust quantum metrology, among others, we envision GraphiQ's broad impact for advancing quantum technologies., Comment: 10+10 pages, 5+5 figures

The Large Hadron Collider's high luminosity era presents major computational challenges in the analysis of collision events. Large amounts of Monte Carlo (MC) simulation will be required to constrain the statistical uncertainties of the simulated datasets below these of the experimental data. Modelling of high-energy particles propagating through the calorimeter section of the detector is the most computationally intensive MC simulation task. We introduce a technique combining recent advancements in generative models and quantum annealing for fast and efficient simulation of high-energy particle-calorimeter interactions., Comment: 6 pages, 3 figures

Programmable quantum simulators based on Rydberg atom arrays are a fast-emerging quantum platform, bringing together long coherence times, high-fidelity operations, and large numbers of interacting qubits deterministically arranged in flexible geometries. Today's Rydberg array devices are demonstrating their utility as quantum simulators for studying phases and phase transitions in quantum matter. In this paper, we show that unprocessed and imperfect experimental projective measurement data can be used to enhance in silico simulations of quantum matter, by improving the performance of variational Monte Carlo simulations. As an example, we focus on data spanning the disordered-to-checkerboard transition in a $16 \times 16$ square lattice array [S. Ebadi et al. Nature 595, 227 (2021)] and employ data-enhanced variational Monte Carlo to train powerful autoregressive wavefunction ans\"atze based on recurrent neural networks (RNNs). We observe universal improvements in the convergence times of our simulations with this hybrid training scheme. Notably, we also find that pre-training with experimental data enables relatively simple RNN ans\"atze to accurately capture phases of matter that are not learned with a purely variational training approach. Our work highlights the promise of hybrid quantum--classical approaches for large-scale simulation of quantum many-body systems, combining autoregressive language models with experimental data from existing quantum devices., Comment: 15 pages, 9 figures

Recurrent neural networks (RNNs), originally developed for natural language processing, hold great promise for accurately describing strongly correlated quantum many-body systems. Here, we employ 2D RNNs to investigate two prototypical quantum many-body Hamiltonians exhibiting topological order. Specifically, we demonstrate that RNN wave functions can effectively capture the topological order of the toric code and a Bose-Hubbard spin liquid on the kagome lattice by estimating their topological entanglement entropies. We also find that RNNs favor coherent superpositions of minimally-entangled states over minimally-entangled states themselves. Overall, our findings demonstrate that RNN wave functions constitute a powerful tool to study phases of matter beyond Landau's symmetry-breaking paradigm., Comment: 15 pages, 6 figures, 2 tables. Published version in Physical Review B

The concept of quantum phase transitions (QPT) plays a central role in the description of condensed matter systems. In this contribution, we perform high-quality wavefunction-based simulations to demonstrate the existence of a quantum phase transition in a crucially relevant molecular system, namely water, forming linear chains of rotating molecules. We determine various critical exponents and reveal the water chain QPT to belong to the (1+1) dimensional Ising universality class. Furthermore, the effect of breaking symmetries is examined and it is shown that by breaking the inversion symmetry, the ground state degeneracy of the ordered quantum phase is lifted to yield two many-body states with opposite polarization. The possibility of forming ferroelectric phases together with a thermal stability of the quantum critical regime up to ~10 K makes the linear water chain a promising candidate as a platform for quantum devices., Comment: 6 pages, 4 figures

Recurrent neural networks (RNNs) are a class of neural networks that have emerged from the paradigm of artificial intelligence and has enabled lots of interesting advances in the field of natural language processing. Interestingly, these architectures were shown to be powerful ansatze to approximate the ground state of quantum systems. Here, we build over the results of [Phys. Rev. Research 2, 023358 (2020)] and construct a more powerful RNN wave function ansatz in two dimensions. We use symmetry and annealing to obtain accurate estimates of ground state energies of the two-dimensional (2D) Heisenberg model, on the square lattice and on the triangular lattice. We show that our method is superior to Density Matrix Renormalisation Group (DMRG) for system sizes larger than or equal to $14 \times 14$ on the triangular lattice., Comment: 11 pages, 4 figures, 1 table. Corrected typos. Originally published in Machine Learning and the Physical Sciences Workshop (NeurIPS 2021), see: https://ml4physicalsciences.github.io/2021/files/NeurIPS_ML4PS_2021_92.pdf. Our reproducibility code can be found at https://github.com/mhibatallah/RNNWavefunctions

It is believed that one of the first useful applications for a quantum computer will be the preparation of groundstates of molecular Hamiltonians. A crucial task involving state preparation and readout is obtaining physical observables of such states, which are typically estimated using projective measurements on the qubits. At present, measurement data is costly and time-consuming to obtain on any quantum computing architecture, which has significant consequences for the statistical errors of estimators. In this paper, we adapt common neural network models (restricted Boltzmann machines and recurrent neural networks) to learn complex groundstate wavefunctions for several prototypical molecular qubit Hamiltonians from typical measurement data. By relating the accuracy $\varepsilon$ of the reconstructed groundstate energy to the number of measurements, we find that using a neural network model provides a robust improvement over using single-copy measurement outcomes alone to reconstruct observables. This enhancement yields an asymptotic scaling near $\varepsilon^{-1}$ for the model-based approaches, as opposed to $\varepsilon^{-2}$ in the case of classical shadow tomography., Comment: 7 pages, 5 figures

Artificial neural networks have been widely adopted as ansatzes to study classical and quantum systems. However, some notably hard systems such as those exhibiting glassiness and frustration have mainly achieved unsatisfactory results despite their representational power and entanglement content, thus, suggesting a potential conservation of computational complexity in the learning process. We explore this possibility by implementing the neural annealing method with autoregressive neural networks on a model that exhibits glassy and fractal dynamics: the two-dimensional Newman-Moore model on a triangular lattice. We find that the annealing dynamics is globally unstable because of highly chaotic loss landscapes. Furthermore, even when the correct ground state energy is found, the neural network generally cannot find degenerate ground-state configurations due to mode collapse. These findings indicate that the glassy dynamics exhibited by the Newman-Moore model caused by the presence of fracton excitations in the configurational space likely manifests itself through trainability issues and mode collapse in the optimization landscape., Comment: 11 pages, 6 figures

Rydberg atom arrays are programmable quantum simulators capable of preparing interacting qubit systems in a variety of quantum states. Due to long experimental preparation times, obtaining projective measurement data can be relatively slow for large arrays, which poses a challenge for state reconstruction methods such as tomography. Today, novel groundstate wavefunction ans\"atze like recurrent neural networks (RNNs) can be efficiently trained not only from projective measurement data, but also through Hamiltonian-guided variational Monte Carlo (VMC). In this paper, we demonstrate how pretraining modern RNNs on even small amounts of data significantly reduces the convergence time for a subsequent variational optimization of the wavefunction. This suggests that essentially any amount of measurements obtained from a state prepared in an experimental quantum simulator could provide significant value for neural-network-based VMC strategies., Comment: 7 pages, 3 figures

Topologically ordered phases of matter display a number of unique characteristics, including ground states that can be interpreted as patterns of closed strings. In this paper, we consider the problem of detecting and distinguishing closed strings in Ising spin configurations sampled from the classical $\mathbb{Z}_2$ gauge theory. We address this using the framework of persistent homology, which computes the size and frequency of general loop structures in spin configurations via the formation of geometric complexes. Implemented numerically on finite-size lattices, we show that the first Betti number of the Vietoris-Rips complexes achieves a high density at low temperatures in the $\mathbb{Z}_2$ gauge theory. In addition, it displays a clear signal at the finite-temperature deconfinement transition of the three-dimensional theory. We argue that persistent homology should be capable of interpreting prominent loop structures that occur in a variety of systems, making it an useful tool in theoretical and experimental searches for topological order.

Motivated by recent experimental realizations of exotic phases of matter on programmable quantum simulators, we carry out a comprehensive theoretical study of quantum phase transitions in a Rydberg atom array on a square lattice, with both open and periodic boundary conditions. In the bulk, we identify several first-order and continuous phase transitions by performing large-scale quantum Monte Carlo simulations and develop an analytical understanding of the nature of these transitions using the framework of Landau-Ginzburg-Wilson theory. Remarkably, we find that under open boundary conditions, the boundary itself undergoes a second-order quantum phase transition, independent of the bulk. These results explain recent experimental observations and provide important new insights into both the adiabatic state preparation of novel quantum phases and quantum optimization using Rydberg atom array platforms., Comment: 6+10 pages