The feasibility of variational quantum algorithms, the most popular correspondent of neural networks on noisy, near-term quantum hardware, is highly impacted by the circuit depth of the involved parametrized quantum circuits (PQCs). Higher depth increases expressivity, but also results in a detrimental accumulation of errors. Furthermore, the number of parameters involved in the PQC significantly influences the performance through the necessary number of measurements to evaluate gradients, which scales linearly with the number of parameters. Motivated by this, we look at deep equilibrium models (DEQs), which mimic an infinite-depth, weight-tied network using a fraction of the memory by employing a root solver to find the fixed points of the network. In this work, we present Quantum Deep Equilibrium Models (QDEQs): a training paradigm that learns parameters of a quantum machine learning model given by a PQC using DEQs. To our knowledge, no work has yet explored the application of DEQs to QML models. We apply QDEQs to find the parameters of a quantum circuit in two settings: the first involves classifying MNIST-4 digits with 4 qubits; the second extends it to 10 classes of MNIST, FashionMNIST and CIFAR. We find that QDEQ is not only competitive with comparable existing baseline models, but also achieves higher performance than a network with 5 times more layers. This demonstrates that the QDEQ paradigm can be used to develop significantly more shallow quantum circuits for a given task, something which is essential for the utility of near-term quantum computers. Our code is available at https://github.com/martaskrt/qdeq.
The feasibility of variational quantum algorithms, the most popular correspondent of neural networks on noisy, near-term quantum hardware, is highly impacted by the circuit depth of the involved parametrized quantum circuits (PQCs). Higher depth increases expressivity, but also results in a detrimental accumulation of errors. Furthermore, the number of parameters involved in the PQC significantly influences the performance through the necessary number of measurements to evaluate gradients, which scales linearly with the number of parameters. Motivated by this, we look at deep equilibrium models (DEQs), which mimic an infinite-depth, weight-tied network using a fraction of the memory by employing a root solver to find the fixed points of the network. In this work, we present Quantum Deep Equilibrium Models (QDEQs): a training paradigm that learns parameters of a quantum machine learning model given by a PQC using DEQs. To our knowledge, no work has yet explored the application of DEQs to QML models. We apply QDEQs to find the parameters of a quantum circuit in two settings: the first involves classifying MNIST-4 digits with 4 qubits; the second extends it to 10 classes of MNIST, FashionMNIST and CIFAR. We find that QDEQ is not only competitive with comparable existing baseline models, but also achieves higher performance than a network with 5 times more layers. This demonstrates that the QDEQ paradigm can be used to develop significantly more shallow quantum circuits for a given task, something which is essential for the utility of near-term quantum computers. Our code is available at https://github.com/martaskrt/qdeq.
Quantum Machine Learning (QML) is considered to be one of the most promising applications of near term quantum devices. However, the optimization of quantum machine learning models presents numerous challenges arising from the imperfections of hardware and the fundamental obstacles in navigating an exponentially scaling Hilbert space. In this work, we evaluate the potential of contemporary methods in deep reinforcement learning to augment gradient based optimization routines in quantum variational circuits. We find that reinforcement learning augmented optimizers consistently outperform gradient descent in noisy environments. All code and pretrained weights are available to replicate the results or deploy the models at: https://github.com/lockwo/rl_qvc_opt.
Parameterized quantum circuits (PQC) have emerged as a quantum analogue of deep neural networks and can be trained for discriminative or generative tasks and can be trained with gradient-based optimization on near-term quantum devices [1], [2], [3]. In the current era of quantum computing, known as the noisy intermediate scale quantum (NISQ) era [4], these devices contain a moderate number of qubits (< 100), and algorithmic performance is strongly impacted by hardware noise. Additionally, the training of PQCs are hybrid algorithms, in which the computational workflow is split between quantum and classical computing platforms.
Deep Equilibrium Models (DEQs) replace a stack of explicit layers with a single operator whose fixed point defines the output, giving the expressive power of an arbitrarily deep network at the memory cost of a single layer. Quantum Deep Equilibrium Models (QDEQs) bring this idea to quantum machine learning, offering an alternative to Parameterized Quantum Circuits (PQCs), whose depth is limited by hardware coherence and trainability. Here, we introduce, formulate, and compare three ways of coupling a quantum signal to graph DEQs, differing in where the signal enters the fixed-point operator. \textit{Independent} injection computes the quantum signal once per graph and forward fixed-point solve, and holds it fixed throughout the solve. \textit{State-dependent} injection instead recomputes the signal at every solver step and applies it to the current iterate. \textit{Backbone-dependent} injection likewise recomputes at every iteration but applies the signal to the classical backbone's output evaluated at the current iterate. We establish contraction guarantees for each variant under explicit assumptions on the Lipschitz constants of the classical backbone and the quantum signal. On the TU Dortmund graph-classification benchmarks NCI1, PROTEINS, and MUTAG, independent injection achieves the best test accuracy while using fewer forward-solver iterations than both the classical equilibrium baseline and the two dependent variants.
Quantum machine learning (QML) has been identified as one of the key fields that could reap advantages from near-term quantum devices, next to optimization and quantum chemistry. Research in this area has focused primarily on variational quantum algorithms (VQAs), and several proposals to enhance supervised, unsupervised and reinforcement learning (RL) algorithms with VQAs have been put forward. Out of the three, RL is the least studied and it is still an open question whether VQAs can be competitive with state-of-the-art classical algorithms based on neural networks (NNs) even on simple benchmark tasks. In this work, we introduce a training method for parametrized quantum circuits (PQCs) that can be used to solve RL tasks for discrete and continuous state spaces based on the deep Q-learning algorithm. We investigate which architectural choices for quantum Q-learning agents are most important for successfully solving certain types of environments by performing ablation studies for a number of different data encoding and readout strategies. We provide insight into why the performance of a VQA-based Q-learning algorithm crucially depends on the observables of the quantum model and show how to choose suitable observables based on the learning task at hand. To compare our model against the classical DQN algorithm, we perform an extensive hyperparameter search of PQCs and NNs with varying numbers of parameters. We confirm that similar to results in classical literature, the architectural choices and hyperparameters contribute more to the agents' success in a RL setting than the number of parameters used in the model. Finally, we show when recent separation results between classical and quantum agents for policy gradient RL can be extended to inferring optimal Q-values in restricted families of environments.
Quantum machine learning (QML) is promising for potential speedups and improvements in conventional machine learning (ML) tasks (e.g., classification/regression). The search for ideal QML models is an active research field. This includes identification of efficient classical-to-quantum data encoding scheme, construction of parametric quantum circuits (PQC) with optimal expressivity and entanglement capability, and efficient output decoding scheme to minimize the required number of measurements, to name a few. However, most of the empirical/numerical studies lack a clear path towards scalability. Any potential benefit observed in a simulated environment may diminish in practical applications due to the limitations of noisy quantum hardware (e.g., under decoherence, gate-errors, and crosstalk). We present a scalable quantum-classical hybrid deep neural network (DeepQMLP) architecture inspired by classical deep neural network architectures. In DeepQMLP, stacked shallow Quantum Neural Network (QNN) models mimic the hidden layers of a classical feed-forward multi-layer perceptron network. Each QNN layer produces a new and potentially rich representation of the input data for the next layer. This new representation can be tuned by the parameters of the circuit. Shallow QNN models experience less decoherence, gate errors, etc. which make them (and the network) more resilient to quantum noise. We present numerical studies on a variety of classification problems to show the trainability of DeepQMLP. We also show that DeepQMLP performs reasonably well on unseen data and exhibits greater resilience to noise over QNN models that use a deep quantum circuit. DeepQMLP provided up to 25.3% lower loss and 7.92% higher accuracy during inference under noise than QMLP.
There is increasing interest in the area of quantum computing, but using and developing new quantum algorithms, often represented as quantum circuits, is arduous and requires designers with a wide area of experience. The exploration of techniques for the automatic design of quantum algorithms, i.e., quantum architecture search, is therefore of high importance. This work explores the use of neural networks for quantum architecture search, since neural networks have proven quite successful in various complex search domains, and current approaches in quantum architecture search make very restricted use of them. There are many different domains in which quantum architecture search can be applied. They can be used to compile unitaries into quantum circuits, develop ansätze for variational quantum circuits, or develop new quantum algorithms by applying it to input output pairs of one task one wishes to solve. The focus in this thesis is on the task of quantum state preparation, a very important task in the field of quantum computing, as it is a subroutine in a large number of quantum algorithms like quantum machine learning and Hamiltonian simulation. This thesis approaches the task of quantum architecture search first by establishing the importance of the structure of quantum circuits. This is done with a large-scale study of the influence different circuit structure parameters, such as qubits and depth, have on the performance on variational quantum machine learning. During this research, four guidelines for designing circuits for variational quantum machine learning were established. DeepQPrep, a neural network-augmented deductive search for the automatic design of quantum circuits for quantum state preparation, was proposed. It is able to create non-parameterized quantum circuits to solve 76.9% of a restrictive set of quantum states with quantum circuits that were much shallower than the ones found in the ground-truth data. The model was trained on a dataset created in this thesis as none were available at the time. During the exploration of extensions of DeepQPrep to enable it to solve more arbitrary quantum state preparation problems without the need for labeled data, different challenges became apparent. A study on the difficulty of training neural networks to create parameterized quantum circuits using reinforcement learning found that training is hampered by the barren plateau problem of quantum computing. It shows that the variance of the gradient of the quantum circuit output with respect to its parameters goes exponentially to zero. A study showed that this problem makes the application of neural networks to encode quantum circuits highly challenging when no intermediate quantum state information is used. This culminated in DeepQPrepGrad, which combines parameterized circuits, the inductive search of DeepQPrep, and the reinforcement learning-based approach with more compact representations. By combining these parts with the gradients of quantum circuits, an approach that is able to create parameterized quantum circuits for arbitrary quantum states was obtained. The approach was evaluated on 20000 arbitrary 3-qubit quantum states without the need for any labeled data, resulting in a mean minimal similarity of 0.97 alleviated the found challenges to a large degree. This thesis explored key challenges faced when training neural networks to encode quantum circuits. These challenges are of paramount importance as they potentially affect a wide range of tasks in the field of quantum computing to which neural networks could be applied. Lastly, DeepQPrepGrad provides a significant step forward for the creation of quantum circuits using neural networks. DeepQPrepGrad makes great progress in solving the challenges highlighted above and has the potential to be applicable in a wide range of quantum architecture search tasks, such as variational eigensolver and variational quantum machine learning.