A Study on Optimization Techniques for Variational Quantum Circuits in Reinforcement Learning

Quantum Computing aims to streamline machine learning, making it more effective with fewer trainable parameters. This reduction of parameters can speed up the learning process and reduce the use of computational resources. However, in the current phase of quantum computing development, known as the noisy intermediate-scale quantum era (NISQ), learning is difficult due to a limited number of qubits and widespread quantum noise. To overcome these challenges, researchers are focusing on variational quantum circuits (VQCs). VQCs are hybrid algorithms that merge a quantum circuit, which can be adjusted through parameters, with traditional classical optimization techniques. These circuits require only few qubits for effective learning. Recent studies have presented new ways of applying VQCs to reinforcement learning, showing promising results that warrant further exploration. This study investigates the effects of various techniques -- data re-uploading, input scaling, output scaling -- and introduces exponential learning rate decay in the quantum proximal policy optimization algorithm's actor-VQC. We assess these methods in the popular Frozen Lake and Cart Pole environments. Our focus is on their ability to reduce the number of parameters in the VQC without losing effectiveness. Our findings indicate that data re-uploading and an exponential learning rate decay significantly enhance hyperparameter stability and overall performance. While input scaling does not improve parameter efficiency, output scaling effectively manages greediness, leading to increased learning speed and robustness.

Qandle: Accelerating State Vector Simulation Using Gate-Matrix Caching and Circuit Splitting

To address the computational complexity associated with state-vector simulation for quantum circuits, we propose a combination of advanced techniques to accelerate circuit execution. Quantum gate matrix caching reduces the overhead of repeated applications of the Kronecker product when applying a gate matrix to the state vector by storing decomposed partial matrices for each gate. Circuit splitting divides the circuit into sub-circuits with fewer gates by constructing a dependency graph, enabling parallel or sequential execution on disjoint subsets of the state vector. These techniques are implemented using the PyTorch machine learning framework. We demonstrate the performance of our approach by comparing it to other PyTorch-compatible quantum state-vector simulators. Our implementation, named Qandle, is designed to seamlessly integrate with existing machine learning workflows, providing a user-friendly API and compatibility with the OpenQASM format. Qandle is an open-source project hosted on GitHub https://github.com/gstenzel/qandle and PyPI https://pypi.org/project/qandle/ .

REACT: Revealing Evolutionary Action Consequence Trajectories for Interpretable Reinforcement Learning

To enhance the interpretability of Reinforcement Learning (RL), we propose Revealing Evolutionary Action Consequence Trajectories (REACT). In contrast to the prevalent practice of validating RL models based on their optimal behavior learned during training, we posit that considering a range of edge-case trajectories provides a more comprehensive understanding of their inherent behavior. To induce such scenarios, we introduce a disturbance to the initial state, optimizing it through an evolutionary algorithm to generate a diverse population of demonstrations. To evaluate the fitness of trajectories, REACT incorporates a joint fitness function that encourages both local and global diversity in the encountered states and chosen actions. Through assessments with policies trained for varying durations in discrete and continuous environments, we demonstrate the descriptive power of REACT. Our results highlight its effectiveness in revealing nuanced aspects of RL models' behavior beyond optimal performance, thereby contributing to improved interpretability.

Challenges for Reinforcement Learning in Quantum Computing

Quantum computing (QC) in the current NISQ-era is still limited. To gain early insights and advantages, hybrid applications are widely considered mitigating those shortcomings. Hybrid quantum machine learning (QML) comprises both the application of QC to improve machine learning (ML), and the application of ML to improve QC architectures. This work considers the latter, focusing on leveraging reinforcement learning (RL) to improve current QC approaches. We therefore introduce various generic challenges arising from quantum architecture search and quantum circuit optimization that RL algorithms need to solve to provide benefits for more complex applications and combinations of those. Building upon these challenges we propose a concrete framework, formalized as a Markov decision process, to enable to learn policies that are capable of controlling a universal set of quantum gates. Furthermore, we provide benchmark results to assess shortcomings and strengths of current state-of-the-art algorithms.

Towards Transfer Learning for Large-Scale Image Classification Using Annealing-based Quantum Boltzmann Machines

Quantum Transfer Learning (QTL) recently gained popularity as a hybrid quantum-classical approach for image classification tasks by efficiently combining the feature extraction capabilities of large Convolutional Neural Networks with the potential benefits of Quantum Machine Learning (QML). Existing approaches, however, only utilize gate-based Variational Quantum Circuits for the quantum part of these procedures. In this work we present an approach to employ Quantum Annealing (QA) in QTL-based image classification. Specifically, we propose using annealing-based Quantum Boltzmann Machines as part of a hybrid quantum-classical pipeline to learn the classification of real-world, large-scale data such as medical images through supervised training. We demonstrate our approach by applying it to the three-class COVID-CT-MD dataset, a collection of lung Computed Tomography (CT) scan slices. Using Simulated Annealing as a stand-in for actual QA, we compare our method to classical transfer learning, using a neural network of the same order of magnitude, to display its improved classification performance. We find that our approach consistently outperforms its classical baseline in terms of test accuracy and AUC-ROC-Score and needs less training epochs to do this.

DIRECT: Learning from Sparse and Shifting Rewards using Discriminative Reward Co-Training

We propose discriminative reward co-training (DIRECT) as an extension to deep reinforcement learning algorithms. Building upon the concept of self-imitation learning (SIL), we introduce an imitation buffer to store beneficial trajectories generated by the policy determined by their return. A discriminator network is trained concurrently to the policy to distinguish between trajectories generated by the current policy and beneficial trajectories generated by previous policies. The discriminator's verdict is used to construct a reward signal for optimizing the policy. By interpolating prior experience, DIRECT is able to act as a surrogate, steering policy optimization towards more valuable regions of the reward landscape thus learning an optimal policy. Our results show that DIRECT outperforms state-of-the-art algorithms in sparse- and shifting-reward environments being able to provide a surrogate reward to the policy and direct the optimization towards valuable areas.

Empirical Analysis of Limits for Memory Distance in Recurrent Neural Networks

Common to all different kinds of recurrent neural networks (RNNs) is the intention to model relations between data points through time. When there is no immediate relationship between subsequent data points (like when the data points are generated at random, e.g.), we show that RNNs are still able to remember a few data points back into the sequence by memorizing them by heart using standard backpropagation. However, we also show that for classical RNNs, LSTM and GRU networks the distance of data points between recurrent calls that can be reproduced this way is highly limited (compared to even a loose connection between data points) and subject to various constraints imposed by the type and size of the RNN in question. This implies the existence of a hard limit (way below the information-theoretic one) for the distance between related data points within which RNNs are still able to recognize said relation.

Constructing Organism Networks from Collaborative Self-Replicators

We introduce organism networks, which function like a single neural network but are composed of several neural particle networks; while each particle network fulfils the role of a single weight application within the organism network, it is also trained to self-replicate its own weights. As organism networks feature vastly more parameters than simpler architectures, we perform our initial experiments on an arithmetic task as well as on simplified MNIST-dataset classification as a collective. We observe that individual particle networks tend to specialise in either of the tasks and that the ones fully specialised in the secondary task may be dropped from the network without hindering the computational accuracy of the primary task. This leads to the discovery of a novel pruning-strategy for sparse neural networks

Capturing Dependencies within Machine Learning via a Formal Process Model

The development of Machine Learning (ML) models is more than just a special case of software development (SD): ML models acquire properties and fulfill requirements even without direct human interaction in a seemingly uncontrollable manner. Nonetheless, the underlying processes can be described in a formal way. We define a comprehensive SD process model for ML that encompasses most tasks and artifacts described in the literature in a consistent way. In addition to the production of the necessary artifacts, we also focus on generating and validating fitting descriptions in the form of specifications. We stress the importance of further evolving the ML model throughout its life-cycle even after initial training and testing. Thus, we provide various interaction points with standard SD processes in which ML often is an encapsulated task. Further, our SD process model allows to formulate ML as a (meta-) optimization problem. If automated rigorously, it can be used to realize self-adaptive autonomous systems. Finally, our SD process model features a description of time that allows to reason about the progress within ML development processes. This might lead to further applications of formal methods within the field of ML.

Black Box Optimization Using QUBO and the Cross Entropy Method

Black box optimization (BBO) can be used to optimize functions whose analytic form is unknown. A common approach to realize BBO is to learn a surrogate model which approximates the target black box function which can then be solved via white box optimization methods. In this paper we present our approach BOX-QUBO, where the surrogate model is a QUBO matrix. However, unlike in previous state-of-the-art approaches, this matrix is not trained entirely by regression, but mostly by classification between 'good' and 'bad' solutions. This better accounts for the low capacity of the QUBO matrix, resulting in significantly better solutions overall. We tested our approach against the state-of-the-art on four domains and in all of them BOX-QUBO showed significantly better results. A second contribution of this paper is the idea to also solve white box problems, i.e. problems which could be directly formulated as QUBO, by means of black box optimization in order to reduce the size of the QUBOs to their information-theoretic minimum. The experiments show that this significantly improves the results for MAX-$k$-SAT.