Florian Marquardt

Alexander Luce, Ali Mahdavi, Heribert Wankerl et al.

The task of designing optical multilayer thin-films regarding a given target is currently solved using gradient-based optimization in conjunction with methods that can introduce additional thin-film layers. Recently, Deep Learning and Reinforcement Learning have been been introduced to the task of designing thin-films with great success, however a trained network is usually only able to become proficient for a single target and must be retrained if the optical targets are varied. In this work, we apply conditional Invertible Neural Networks (cINN) to inversely designing multilayer thin-films given an optical target. Since the cINN learns the energy landscape of all thin-film configurations within the training dataset, we show that cINNs can generate a stochastic ensemble of proposals for thin-film configurations that that are reasonably close to the desired target depending only on random variables. By refining the proposed configurations further by a local optimization, we show that the generated thin-films reach the target with significantly greater precision than comparable state-of-the art approaches. Furthermore, we tested the generative capabilities on samples which are outside the training data distribution and found that the cINN was able to predict thin-films for out-of-distribution targets, too. The results suggest that in order to improve the generative design of thin-films, it is instructive to use established and new machine learning methods in conjunction in order to obtain the most favorable results.

Leopoldo Sarra, Florian Marquardt

Bayesian experimental design is a technique that allows to efficiently select measurements to characterize a physical system by maximizing the expected information gain. Recent developments in deep neural networks and normalizing flows allow for a more efficient approximation of the posterior and thus the extension of this technique to complex high-dimensional situations. In this paper, we show how this approach holds promise for adaptive measurement strategies to characterize present-day quantum technology platforms. In particular, we focus on arrays of coupled cavities and qubit arrays. Both represent model systems of high relevance for modern applications, like quantum simulations and computing, and both have been realized in platforms where measurement and control can be exploited to characterize and counteract unavoidable disorder. Thus, they represent ideal targets for applications of Bayesian experimental design.

Maximilian Nägele, Florian Marquardt

ZX-diagrams are a powerful graphical language for the description of quantum processes with applications in fundamental quantum mechanics, quantum circuit optimization, tensor network simulation, and many more. The utility of ZX-diagrams relies on a set of local transformation rules that can be applied to them without changing the underlying quantum process they describe. These rules can be exploited to optimize the structure of ZX-diagrams for a range of applications. However, finding an optimal sequence of transformation rules is generally an open problem. In this work, we bring together ZX-diagrams with reinforcement learning, a machine learning technique designed to discover an optimal sequence of actions in a decision-making problem and show that a trained reinforcement learning agent can significantly outperform other optimization techniques like a greedy strategy, simulated annealing, and state-of-the-art hand-crafted algorithms. The use of graph neural networks to encode the policy of the agent enables generalization to diagrams much bigger than seen during the training phase.

Qingshan Wang, Clara C. Wanjura, Florian Marquardt

The rapid rise of artificial intelligence has led to an unsustainable growth in energy consumption. This has motivated progress in neuromorphic computing and physics-based training of learning machines as alternatives to digital neural networks. Many theoretical studies focus on simple architectures like all-to-all or densely connected layered networks. However, these may be challenging to realize experimentally, e.g. due to connectivity constraints. In this work, we investigate the performance of the widespread physics-based training method of equilibrium propagation for more realistic architectural choices, specifically, locally connected lattices. We train an XY model and explore the influence of architecture on various benchmark tasks, tracking the evolution of spatially distributed responses and couplings during training. Our results show that sparse networks with only local connections can achieve performance comparable to dense networks. Our findings provide guidelines for further scaling up architectures based on equilibrium propagation in realistic settings.

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.

Lucas Schorling, Pranav Vaidhyanathan, Jonas Schuff et al.

While machine learning holds great promise for quantum technologies, most current methods focus on predicting or controlling a specific quantum system. Meta-learning approaches, however, can adapt to new systems for which little data is available, by leveraging knowledge obtained from previous data associated with similar systems. In this paper, we meta-learn dynamics and characteristics of closed and open two-level systems, as well as the Heisenberg model. Based on experimental data of a Loss-DiVincenzo spin-qubit hosted in a Ge/Si core/shell nanowire for different gate voltage configurations, we predict qubit characteristics i.e. $g$-factor and Rabi frequency using meta-learning. The algorithm we introduce improves upon previous state-of-the-art meta-learning methods for physics-based systems by introducing novel techniques such as adaptive learning rates and a global optimizer for improved robustness and increased computational efficiency. We benchmark our method against other meta-learning methods, a vanilla transformer, and a multilayer perceptron, and demonstrate improved performance.

Pranav Vaidhyanathan, Florian Marquardt, Mark T. Mitchison et al.

Attention-based neural networks such as transformers have revolutionized various fields such as natural language processing, genomics, and vision. Here, we demonstrate the use of transformers for quantum feedback control through a supervised learning approach. In particular, due to the transformer's ability to capture long-range temporal correlations and training efficiency, we show that it can surpass some of the limitations of previous control approaches, e.g.~those based on recurrent neural networks trained using a similar approach or reinforcement learning. We numerically show, for the example of state stabilization of a two-level system, that our bespoke transformer architecture can achieve unit fidelity to a target state in a short time even in the presence of inefficient measurement and Hamiltonian perturbations that were not included in the training set. We also demonstrate that this approach generalizes well to the control of non-Markovian systems. Our approach can be used for quantum error correction, fast control of quantum states in the presence of colored noise, as well as real-time tuning, and characterization of quantum devices.

Maximilian Nägele, Jan Olle, Thomas Fösel et al.

Markov decision processes (MDPs) are used to model a wide variety of applications ranging from game playing over robotics to finance. Their optimal policy typically maximizes the expected sum of rewards given at each step of the decision process. However, a large class of problems does not fit straightforwardly into this framework: Non-cumulative Markov decision processes (NCMDPs), where instead of the expected sum of rewards, the expected value of an arbitrary function of the rewards is maximized. Example functions include the maximum of the rewards or their mean divided by their standard deviation. In this work, we introduce a general mapping of NCMDPs to standard MDPs. This allows all techniques developed to find optimal policies for MDPs, such as reinforcement learning or dynamic programming, to be directly applied to the larger class of NCMDPs. Focusing on reinforcement learning, we show applications in a diverse set of tasks, including classical control, portfolio optimization in finance, and discrete optimization problems. Given our approach, we can improve both final performance and training time compared to relying on standard MDPs.

Maximilian Nägele, Florian Marquardt

The process of scientific discovery relies on an interplay of observations, analysis, and hypothesis generation. Machine learning is increasingly being adopted to address individual aspects of this process. However, it remains an open challenge to fully automate the heuristic, iterative loop required to discover the laws of an unknown system by exploring it through experiments and analysis, without tailoring the approach to the specifics of a given task. Here, we introduce SciExplorer, an agent that leverages large language model tool-use capabilities to enable exploration of systems without any domain-specific blueprints, and apply it to physical systems that are initially unknown to the agent. We test SciExplorer on a broad set of models spanning mechanical dynamical systems, wave evolution, and quantum many-body physics. Despite using a minimal set of tools, primarily based on code execution, we observe impressive performance on tasks such as recovering equations of motion from observed dynamics and inferring Hamiltonians from expectation values. The demonstrated effectiveness of this setup opens the door towards similar scientific exploration in other domains, without the need for finetuning or task-specific instructions.

Marin Bukov, Florian Marquardt

Many challenges arising in Quantum Technology can be successfully addressed using a set of machine learning algorithms collectively known as reinforcement learning (RL), based on adaptive decision-making through interaction with the quantum device. After a concise and intuitive introduction to RL aimed at a broad physics readership, we discuss the key ideas and core concepts in reinforcement learning with a particular focus on quantum systems. We then survey recent progress in RL in all relevant areas. We discuss state preparation in few- and many-body quantum systems, the design and optimization of high-fidelity quantum gates, and the automated construction of quantum circuits, including applications to variational quantum eigensolvers and architecture search. We further highlight the interactive capabilities of RL agents, emphasizing recent progress in quantum feedback control and quantum error correction, and briefly discuss quantum reinforcement learning as well as applications to quantum metrology. The review concludes with a discussion of open challenges -- such as scalability, interpretability, and integration with experimental platforms -- and outlines promising directions for future research. Throughout, we highlight experimental implementations that exemplify the increasing role of reinforcement learning in shaping the development of quantum technologies.

Clara C. Wanjura, Florian Marquardt

The widespread adoption of machine learning and artificial intelligence in all branches of science and technology has created a need for energy-efficient, alternative hardware platforms. While such neuromorphic approaches have been proposed and realised for a wide range of platforms, physically extracting the gradients required for training remains challenging as generic approaches only exist in certain cases. Equilibrium propagation (EP) is such a procedure that has been introduced and applied to classical energy-based models which relax to an equilibrium. Here, we show a direct connection between EP and Onsager reciprocity and exploit this to derive a quantum version of EP. This can be used to optimize loss functions that depend on the expectation values of observables of an arbitrary quantum system. Specifically, we illustrate this new concept with supervised and unsupervised learning examples in which the input or the solvable task is of quantum mechanical nature, e.g., the recognition of quantum many-body ground states, quantum phase exploration, sensing and phase boundary exploration. We propose that in the future quantum EP may be used to solve tasks such as quantum phase discovery with a quantum simulator even for Hamiltonians which are numerically hard to simulate or even partially unknown. Our scheme is relevant for a variety of quantum simulation platforms such as ion chains, superconducting qubit arrays, neutral atom Rydberg tweezer arrays and strongly interacting atoms in optical lattices.

Ali Momeni, Babak Rahmani, Benjamin Scellier et al.

Physical neural networks (PNNs) are a class of neural-like networks that leverage the properties of physical systems to perform computation. While PNNs are so far a niche research area with small-scale laboratory demonstrations, they are arguably one of the most underappreciated important opportunities in modern AI. Could we train AI models 1000x larger than current ones? Could we do this and also have them perform inference locally and privately on edge devices, such as smartphones or sensors? Research over the past few years has shown that the answer to all these questions is likely "yes, with enough research": PNNs could one day radically change what is possible and practical for AI systems. To do this will however require rethinking both how AI models work, and how they are trained - primarily by considering the problems through the constraints of the underlying hardware physics. To train PNNs at large scale, many methods including backpropagation-based and backpropagation-free approaches are now being explored. These methods have various trade-offs, and so far no method has been shown to scale to the same scale and performance as the backpropagation algorithm widely used in deep learning today. However, this is rapidly changing, and a diverse ecosystem of training techniques provides clues for how PNNs may one day be utilized to create both more efficient realizations of current-scale AI models, and to enable unprecedented-scale models.

Mario Krenn, Jonas Landgraf, Thomas Foesel et al.

In recent years, the dramatic progress in machine learning has begun to impact many areas of science and technology significantly. In the present perspective article, we explore how quantum technologies are benefiting from this revolution. We showcase in illustrative examples how scientists in the past few years have started to use machine learning and more broadly methods of artificial intelligence to analyze quantum measurements, estimate the parameters of quantum devices, discover new quantum experimental setups, protocols, and feedback strategies, and generally improve aspects of quantum computing, quantum communication, and quantum simulation. We highlight open challenges and future possibilities and conclude with some speculative visions for the next decade.

Alexander Luce, Ali Mahdavi, Florian Marquardt et al.

Achieving the desired optical response from a multilayer thin-film structure over a broad range of wavelengths and angles of incidence can be challenging. An advanced thin-film structure can consist of multiple materials with different thicknesses and numerous layers. Design and optimization of complex thin-film structures with multiple variables is a computationally heavy problem that is still under active research. To enable fast and easy experimentation with new optimization techniques, we propose the Python package TMM-Fast which enables parallelized computation of reflection and transmission of light at different angles of incidence and wavelengths through the multilayer thin-film. By decreasing computational time, generating datasets for machine learning becomes feasible and evolutionary optimization can be used effectively. Additionally, the sub-package TMM-Torch allows to directly compute analytical gradients for local optimization by using PyTorch Autograd functionality. Finally, an OpenAi Gym environment is presented which allows the user to train reinforcement learning agents on the problem of finding multilayer thin-film configurations.

Victor Lopez-Pastor, Florian Marquardt

A physical self-learning machine can be defined as a nonlinear dynamical system that can be trained on data (similar to artificial neural networks), but where the update of the internal degrees of freedom that serve as learnable parameters happens autonomously. In this way, neither external processing and feedback nor knowledge of (and control of) these internal degrees of freedom is required. We introduce a general scheme for self-learning in any time-reversible Hamiltonian system. We illustrate the training of such a self-learning machine numerically for the case of coupled nonlinear wave fields.

Leopoldo Sarra, Andrea Aiello, Florian Marquardt

We derive a well-defined renormalized version of mutual information that allows to estimate the dependence between continuous random variables in the important case when one is deterministically dependent on the other. This is the situation relevant for feature extraction, where the goal is to produce a low-dimensional effective description of a high-dimensional system. Our approach enables the discovery of collective variables in physical systems, thus adding to the toolbox of artificial scientific discovery, while also aiding the analysis of information flow in artificial neural networks.