Theoretical Guarantees for Permutation-Equivariant Quantum Neural Networks

Despite the great promise of quantum machine learning models, there are several challenges one must overcome before unlocking their full potential. For instance, models based on quantum neural networks (QNNs) can suffer from excessive local minima and barren plateaus in their training landscapes. Recently, the nascent field of geometric quantum machine learning (GQML) has emerged as a potential solution to some of those issues. The key insight of GQML is that one should design architectures, such as equivariant QNNs, encoding the symmetries of the problem at hand. Here, we focus on problems with permutation symmetry (i.e., the group of symmetry $S_n$), and show how to build $S_n$-equivariant QNNs. We provide an analytical study of their performance, proving that they do not suffer from barren plateaus, quickly reach overparametrization, and can generalize well from small amounts of data. To verify our results, we perform numerical simulations for a graph state classification task. Our work provides the first theoretical guarantees for equivariant QNNs, thus indicating the extreme power and potential of GQML.

Theory for Equivariant Quantum Neural Networks

Most currently used quantum neural network architectures have little-to-no inductive biases, leading to trainability and generalization issues. Inspired by a similar problem, recent breakthroughs in classical machine learning address this crux by creating models encoding the symmetries of the learning task. This is materialized through the usage of equivariant neural networks whose action commutes with that of the symmetry. In this work, we import these ideas to the quantum realm by presenting a general theoretical framework to understand, classify, design and implement equivariant quantum neural networks. As a special implementation, we show how standard quantum convolutional neural networks (QCNN) can be generalized to group-equivariant QCNNs where both the convolutional and pooling layers are equivariant under the relevant symmetry group. Our framework can be readily applied to virtually all areas of quantum machine learning, and provides hope to alleviate central challenges such as barren plateaus, poor local minima, and sample complexity.

Representation Theory for Geometric Quantum Machine Learning

Recent advances in classical machine learning have shown that creating models with inductive biases encoding the symmetries of a problem can greatly improve performance. Importation of these ideas, combined with an existing rich body of work at the nexus of quantum theory and symmetry, has given rise to the field of Geometric Quantum Machine Learning (GQML). Following the success of its classical counterpart, it is reasonable to expect that GQML will play a crucial role in developing problem-specific and quantum-aware models capable of achieving a computational advantage. Despite the simplicity of the main idea of GQML -- create architectures respecting the symmetries of the data -- its practical implementation requires a significant amount of knowledge of group representation theory. We present an introduction to representation theory tools from the optics of quantum learning, driven by key examples involving discrete and continuous groups. These examples are sewn together by an exposition outlining the formal capture of GQML symmetries via "label invariance under the action of a group representation", a brief (but rigorous) tour through finite and compact Lie group representation theory, a reexamination of ubiquitous tools like Haar integration and twirling, and an overview of some successful strategies for detecting symmetries.

Inference-Based Quantum Sensing

In a standard Quantum Sensing (QS) task one aims at estimating an unknown parameter $\theta$, encoded into an $n$-qubit probe state, via measurements of the system. The success of this task hinges on the ability to correlate changes in the parameter to changes in the system response $\mathcal{R}(\theta)$ (i.e., changes in the measurement outcomes). For simple cases the form of $\mathcal{R}(\theta)$ is known, but the same cannot be said for realistic scenarios, as no general closed-form expression exists. In this work we present an inference-based scheme for QS. We show that, for a general class of unitary families of encoding, $\mathcal{R}(\theta)$ can be fully characterized by only measuring the system response at $2n+1$ parameters. In turn, this allows us to infer the value of an unknown parameter given the measured response, as well as to determine the sensitivity of the sensing scheme, which characterizes its overall performance. We show that inference error is, with high probability, smaller than $\delta$, if one measures the system response with a number of shots that scales only as $\Omega(\log^3(n)/\delta^2)$. Furthermore, the framework presented can be broadly applied as it remains valid for arbitrary probe states and measurement schemes, and, even holds in the presence of quantum noise. We also discuss how to extend our results beyond unitary families. Finally, to showcase our method we implement it for a QS task on real quantum hardware, and in numerical simulations.

Group-Invariant Quantum Machine Learning

Quantum Machine Learning (QML) models are aimed at learning from data encoded in quantum states. Recently, it has been shown that models with little to no inductive biases (i.e., with no assumptions about the problem embedded in the model) are likely to have trainability and generalization issues, especially for large problem sizes. As such, it is fundamental to develop schemes that encode as much information as available about the problem at hand. In this work we present a simple, yet powerful, framework where the underlying invariances in the data are used to build QML models that, by construction, respect those symmetries. These so-called group-invariant models produce outputs that remain invariant under the action of any element of the symmetry group $\mathfrak{G}$ associated to the dataset. We present theoretical results underpinning the design of $\mathfrak{G}$-invariant models, and exemplify their application through several paradigmatic QML classification tasks including cases when $\mathfrak{G}$ is a continuous Lie group and also when it is a discrete symmetry group. Notably, our framework allows us to recover, in an elegant way, several well known algorithms for the literature, as well as to discover new ones. Taken together, we expect that our results will help pave the way towards a more geometric and group-theoretic approach to QML model design.

Preparation of ordered states in ultra-cold gases using Bayesian optimization

Ultra-cold atomic gases are unique in terms of the degree of controllability, both for internal and external degrees of freedom. This makes it possible to use them for the study of complex quantum many-body phenomena. However in many scenarios, the prerequisite condition of faithfully preparing a desired quantum state despite decoherence and system imperfections is not always adequately met. To path the way to a specific target state, we explore quantum optimal control framework based on Bayesian optimization. The probabilistic modeling and broad exploration aspects of Bayesian optimization is particularly suitable for quantum experiments where data acquisition can be expensive. Using numerical simulations for the superfluid to Mott-insulator transition for bosons in a lattice as well for the formation of Rydberg crystals as explicit examples, we demonstrate that Bayesian optimization is capable of finding better control solutions with regards to finite and noisy data compared to existing methods of optimal control.