Evert van Nieuwenburg’s research while affiliated with Leiden University and other places

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.

To leverage the full potential of quantum error-correcting stabilizer codes it is crucial to have an efficient and accurate decoder. Accurate, maximum likelihood, decoders are computationally very expensive whereas decoders based on more efficient algorithms give sub-optimal performance. In addition, the accuracy will depend on the quality of models and estimates of error rates for idling qubits, gates, measurements, and resets, and will typically assume symmetric error channels. In this work, we explore a model-free, data-driven, approach to decoding, using a graph neural network (GNN). The decoding problem is formulated as a graph classification task in which a set of stabilizer measurements is mapped to an annotated detector graph for which the neural network predicts the most likely logical error class. We show that the GNN-based decoder can outperform a matching decoder for circuit level noise on the surface code given only the simulated data, while the matching decoder is given full information of the underlying error model. Although training is computationally demanding, inference is fast and scales approximately linearly with the space-time volume of the code. We also find that we can use large, but more limited, datasets of real experimental data for the repetition code, giving decoding accuracies that are on par with minimum weight perfect matching. The results show that a purely data-driven approach to decoding may be a viable future option for practical quantum error correction, which is competitive in terms of speed, accuracy, and versatility. Published by the American Physical Society 2025

The search for useful applications of noisy intermediate-scale quantum (NISQ) devices in quantum simulation has been hindered by their intrinsic noise and the high costs associated with achieving high accuracy. A promising approach to finding utility despite these challenges involves using quantum devices to generate training data for classical machine learning (ML) models. In this study, we explore the use of noisy data generated by quantum algorithms in training an ML model to learn a density functional for the Fermi–Hubbard model. We benchmark various ML models against exact solutions, demonstrating that a neural-network ML model can successfully generalize from small datasets subject to noise typical of NISQ algorithms. The learning procedure can effectively filter out unbiased sampling noise, resulting in a trained model that outperforms any individual training data point. Conversely, when trained on data with expressibility and optimization error typical of the variational quantum eigensolver, the model replicates the biases present in the training data. The trained models can be applied to solving new problem instances in a Kohn–Sham-like density optimization scheme, benefiting from automatic differentiability and achieving reasonably accurate solutions on most problem instances. Our findings suggest a promising pathway for leveraging NISQ devices in practical quantum simulations, highlighting both the potential benefits and the challenges that need to be addressed for successful integration of quantum computing and ML techniques.

The search for quantum algorithms to tackle classical combinatorial optimization problems has long been one of the most attractive yet challenging research topics in quantum computing. In this context, variational quantum algorithms (VQAs) are a promising family of hybrid quantum–classical methods tailored to cope with the limited capability of near-term quantum hardware. However, their effectiveness is hampered by the complexity of the classical parameter optimization which is prone to getting stuck either in local minima or in flat regions of the cost-function landscape. The clever design of efficient optimization methods is therefore of fundamental importance for fully leveraging the potential of VQAs. In this work, we approach parameter optimization as a sequential decision-making problem and tackle it with an adaptation of Monte Carlo Tree Search, a powerful artificial intelligence technique designed for efficiently exploring complex decision graphs. We show that leveraging regular parameter patterns deeply affects the decision-tree structure and allows for a flexible and noise-resilient optimization strategy suitable for near-term quantum devices. Our results shed further light on the interplay between artificial intelligence and quantum information and provide a valuable addition to the toolkit of variational quantum circuits.

A central question in machine learning is how reliable the predictions of a trained model are. Reliability includes the identification of instances for which a model is likely not to be trusted based on an analysis of the learning system itself. Such unreliability for an input may arise from the model family providing a variety of hypotheses consistent with the training data, which can vastly disagree in their predictions on that particular input point. This is called the underdetermination problem, and it is important to develop methods to detect it. With the emergence of quantum machine learning (QML) as a prospective alternative to classical methods for certain learning problems, the question arises to what extent they are subject to underdetermination and whether similar techniques as those developed for classical models can be employed for its detection. In this work, we first provide an overview of concepts from Safe AI and reliability, which in particular received little attention in QML. We then explore the use of a method based on local second-order information for the detection of underdetermination in parameterized quantum circuits through numerical experiments. We further demonstrate that the approach is robust to certain levels of shot noise. Our work contributes to the body of literature on Safe Quantum AI, which is an emerging field of growing importance.

As the field of quantum physics evolves, researchers naturally form subgroups focusing on specialized problems. While this encourages in-depth exploration, it can limit the exchange of ideas across structurally similar problems in different subfields. To encourage cross-talk among these different specialized areas, data-driven approaches using machine learning have recently shown promise to uncover meaningful connections between research concepts, promoting cross-disciplinary innovation. Current state-of-the-art approaches represent concepts using knowledge graphs and frame the task as a link prediction problem, where connections between concepts are explicitly modeled. In this work, we introduce a novel approach based on dynamic word embeddings for concept combination prediction. Unlike knowledge graphs, our method captures implicit relationships between concepts, can be learned in a fully unsupervised manner, and encodes a broader spectrum of information. We demonstrate that this representation enables accurate predictions about the co-occurrence of concepts within research abstracts over time. To validate the effectiveness of our approach, we provide a comprehensive benchmark against existing methods and offer insights into the interpretability of these embeddings, particularly in the context of quantum physics research. Our findings suggest that this representation offers a more flexible and informative way of modeling conceptual relationships in scientific literature.

The double descent phenomenon challenges traditional statistical learning theory by revealing scenarios where larger models do not necessarily lead to reduced performance on unseen data. While this counterintuitive behavior has been observed in a variety of classical machine learning models, particularly modern neural network architectures, it remains elusive within the context of quantum machine learning. In this work, we analytically demonstrate that quantum learning models can exhibit double descent behavior by drawing on insights from linear regression and random matrix theory. Additionally, our numerical experiments on quantum kernel methods across different real-world datasets and system sizes further confirm the existence of a test error peak, a characteristic feature of double descent. Our findings provide evidence that quantum models can operate in the modern, overparameterized regime without experiencing overfitting, thereby opening pathways to improved learning performance beyond traditional statistical learning theory.

We present QDarts, an efficient simulator for realistic charge stability diagrams of quantum dot array (QDA) devices in equilibrium states. It allows for pinpointing the location of concrete charge states and their transitions in a high-dimensional voltage space (via arbitrary two-dimensional cuts through it), and includes effects of finite tunnel coupling, non-constant charging energy and a simulation of noisy sensor dots. These features enable close matching of various experimental results in the literature, and the package hence provides a flexible tool for testing QDA experiments, as well as opening the avenue for developing new methods of device tuning.

We present QDarts, an efficient simulator for realistic charge stability diagrams of quantum dot array (QDA) devices in equilibrium states. It allows for pinpointing the location of concrete charge states and their transitions in a high-dimensional voltage space (via arbitrary two-dimensional cuts through it), and includes effects of finite tunnel coupling, non-constant charging energy and a simulation of noisy sensor dots. These features enable close matching of various experimental results in the literature, and the package hence provides a flexible tool for testing QDA experiments, as well as opening the avenue for developing new methods of device tuning.

Quantum repeaters play a crucial role in the effective distribution of entanglement over long distances. The nearest-future type of quantum repeater requires two operations: entanglement generation across neighbouring repeaters and entanglement swapping to promote short-range entanglement to long-range. For many hardware setups, these actions are probabilistic, leading to longer distribution times and incurred errors. Significant efforts have been vested in finding the optimal entanglement-distribution policy, i.e. the protocol specifying when a network node needs to generate or swap entanglement, such that the expected time to distribute long-distance entanglement is minimal. This problem is even more intricate in more realistic scenarios, especially when classical communication delays are taken into account. In this work, we formulate our problem as a Markov decision problem and use reinforcement learning (RL) to optimise over centralised strategies, where one designated node instructs other nodes which actions to perform. Contrary to most RL models, ours can be readily interpreted. Additionally, we introduce and evaluate a fixed local policy, the `predictive swap-asap' policy, where nodes only coordinate with nearest neighbours. Compared to the straightforward generalization of the common swap-asap policy to the scenario with classical communication effects, the `wait-for-broadcast swap-asap' policy, both of the aforementioned entanglement-delivery policies are faster at high success probabilities. Our work showcases the merit of considering policies acting with incomplete information in the realistic case when classical communication effects are significant.