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arXiv:2404.19312

Revealing the working mechanism of quantum neural networks by mutual information

Zhang, Xin, Yuexian Hou

Published Apr 30, 2024• 0 citations
arXivHTMLPDF

Abstract

Quantum neural networks (QNNs) is a parameterized quantum circuit model, which can be trained by gradient-based optimizer, can be used for supervised learning, regression tasks, combinatorial optimization, etc. Although many works have demonstrated that QNNs have better learnability, generalizability, etc. compared to classical neural networks. However, as with classical neural networks, we still can't explain their working mechanism well. In this paper, we reveal the training mechanism of QNNs by mutual information. Unlike traditional mutual information in neural networks, due to quantum computing remains information conserved, the mutual information is trivial of the input and output of U operator. In our work, in order to observe the change of mutual information during training, we divide the quantum circuit (U operator) into two subsystems, discard subsystem (D) and measurement subsystem (M) respectively. We calculate two mutual information, I(Di : Mo) and I(Mi : Mo) (i and o means input or output of the corresponding subsystem), and observe their behavior during training. As the epochs increases, I(Di : Mo) gradually increases, this may means some information of discard subsystem is continuously pushed into the measurement subsystem, the information should be label-related. What's more, I(Mi : Mo) exist two-phase behavior in training process, this consistent with the information bottleneck anticipation. The first phase, I(Mi : Mo) is increasing, this means the measurement subsystem perform feature fitting. The second phase, I(Mi : Mo) is decreasing, this may means the system is generalizing, the measurement subsystem discard label-irrelevant information into the discard subsystem as many as possible. Our work discussed the working mechanism of QNNs by mutual information, further, it can be used to analyze the accuracy and generalization of QNNs.

DOI
10.48550/arxiv.2404.19312

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Quantum neural networks (QNNs) is a parameterized quantum circuit model, which can be trained by gradient-based optimizer, can be used for supervised learning, regression tasks, combinatorial optimization, etc. Although many works have demonstrated that QNNs have better learnability, generalizability, etc. compared to classical neural networks. However, as with classical neural networks, we still can't explain their working mechanism well. In this paper, we reveal the training mechanism of QNNs by mutual information. Unlike traditional mutual information in neural networks, due to quantum computing remains information conserved, the mutual information is trivial of the input and output of U operator. In our work, in order to observe the change of mutual information during training, we divide the quantum circuit (U operator) into two subsystems, discard subsystem (D) and measurement subsystem (M) respectively. We calculate two mutual information, I(Di : Mo) and I(Mi : Mo) (i and o means input or output of the corresponding subsystem), and observe their behavior during training. As the epochs increases, I(Di : Mo) gradually increases, this may means some information of discard subsystem is continuously pushed into the measurement subsystem, the information should be label-related. What's more, I(Mi : Mo) exist two-phase behavior in training process, this consistent with the information bottleneck anticipation. The first phase, I(Mi : Mo) is increasing, this means the measurement subsystem perform feature fitting. The second phase, I(Mi : Mo) is decreasing, this may means the system is generalizing, the measurement subsystem discard label-irrelevant information into the discard subsystem as many as possible. Our work discussed the working mechanism of QNNs by mutual information, further, it can be used to analyze the accuracy and generalization of QNNs.
Abstract We propose a method of quantum machine learning called quantum mutual information neural estimation (QMINE) for estimating von Neumann entropy and quantum mutual information, which are fundamental properties in quantum information theory. The QMINE proposed here basically utilizes a technique of quantum neural networks (QNNs), to minimize a loss function that determines the von Neumann entropy, and thus quantum mutual information, which is believed more powerful to process quantum datasets than conventional neural networks due to quantum superposition and entanglement. To create a precise loss function, we propose a quantum Donsker-Varadhan representation (QDVR), which is a quantum analog of the classical Donsker-Varadhan representation. By exploiting a parameter shift rule on parameterized quantum circuits, we can efficiently implement and optimize the QNN and estimate the quantum entropies using the QMINE technique. Furthermore, numerical observations support our predictions of QDVR and demonstrate the good performance of QMINE.
Quantum computing is one of the most exciting research areas of the last decades. At the same time, methods of machine learning have started to dominate science, industry and our everyday life. In this thesis we combine these two essential research topics of the 21st century and introduce dissipative quantum neural networks (DQNNs), which are designed for fully quantum learning tasks, are capable of universal quantum computation and have low memory requirements while training. We start the discussion of this interdisciplinary topic by introducing artificial neural networks, which are a very common tool in classical machine learning. Next, we give an overview on quantum information. Here we focus on quantum algorithms and circuits, which are used to implement quantum neural networks. Moreover, we explain the opportunities and challenges arising with today's quantum computers. The discussion of the architecture and training algorithm of the DQNNs forms the core of this work. These networks are optimised with training data pairs in form of input and desired output states and therefore can be used for characterising unknown or untrusted quantum devices. We not only demonstrate the generalisation behaviour of these quantum neural networks using classical simulations, but also implement them successfully on actual quantum computers. To understand the ultimate limits for such quantum machine learning methods, we discuss the quantum no free lunch theorem, which describes a bound on the probability that a quantum device, which can be modelled as a unitary process and is optimised with quantum examples, gives an incorrect output for a random input. This gives us a tool to review the learning behaviour of quantum neural networks in general and the DQNNs in particular. Moreover we expand the area of applications of DQNNs in two directions. In the first case, we include additional information beyond just the training data pairs: since quantum devices are always structured, the resulting data is always structured as well. We modify the DQNN's training algorithm such that knowledge about the graph-structure of the training data pairs is included in the training process and show that this can lead to better generalisation behaviour. Both the original DQNN and the DQNN including graph structure are trained with data pairs in order to characterise an underlying relation. However, in the second extension of the algorithm we aim to learn characteristics of a set of quantum states in order to extend it to quantum states which have similar properties. Therefore we build a generative adversarial model where two DQNNs, called the generator and discriminator, are trained in a competitive way. Overall, we observe that DQNNs can not only be trained efficiently but also, similar to their classical counterparts, modified to suit different applications.
The quantum neural network is one of the promising applications for near-term noisy intermediate-scale quantum computers. A quantum neural network distills the information from the input wave function into the output qubits. In this Letter, we show that this process can also be viewed from the opposite direction: the quantum information in the output qubits is scrambled into the input. This observation motivates us to use the tripartite information-a quantity recently developed to characterize information scrambling-to diagnose the training dynamics of quantum neural networks. We empirically find strong correlation between the dynamical behavior of the tripartite information and the loss function in the training process, from which we identify that the training process has two stages for randomly initialized networks. In the early stage, the network performance improves rapidly and the tripartite information increases linearly with a universal slope, meaning that the neural network becomes less scrambled than the random unitary. In the latter stage, the network performance improves slowly while the tripartite information decreases. We present evidences that the network constructs local correlations in the early stage and learns large-scale structures in the latter stage. We believe this two-stage training dynamics is universal and is applicable to a wide range of problems. Our work builds bridges between two research subjects of quantum neural networks and information scrambling, which opens up a new perspective to understand quantum neural networks.
Artificial neural networks, usually just called neural networks, computing systems indefinitely inspired by the biological neural networks and they are extensive in both research as well as industry. It is critical to design quantum Neural Networks for complete quantum learning tasks. In this project, we suggest a computational neural network model based on principles of quantum mechanics which form a quantum feed-forward neural network proficient in universal quantum computation. This structure takes input from one layer of qubits and drives that input onto another layer of qubits. This layer of qubits evaluates this information and drives on the output to the next layer. Eventually, the path leads to the final layer of qubits. The layers do not have to be of the same breadth, meaning they need not have the same number of qubits as the layer before and/or after it. This assembly is trained on which path to take identical to classical ANN. The intended project can be compiled by the subsequent points provided here: 1. The expert training of the quantum neural network utilizing the fidelity as a cost function, providing both conventional and efficient quantum implementations. 2. Use of methods that enable quick optimization with reduced memory requirements. 3. Benchmarking our proposal for the quantum task of learning an unknown unitary and find extraordinary generality and a remarkable sturdiness to noisy training data.
Quantum neural networks (QNNs) represent a cutting-edge approach to machine learning and artificial intelligence, harnessing the principles of quantum mechanics to process and analyze data in fundamentally new ways. Unlike classical neural networks, which operate on classical bits and are limited by the laws of classical physics, QNNs use quantum bits (qubits) and exploit quantum phenomena such as superposition and entanglement to achieve unprecedented computational power and efficiency. This chapter explores the principles and applications of QNNs, including their potential for solving complex optimisation problems, pattern recognition tasks, and quantum simulation tasks. We discuss various QNN architectures, training algorithms, and applications, highlighting their advantages and challenges compared to classical neural networks. Additionally, we explore the potential impact of QNNs on fields such as quantum computing, quantum communication, and quantum sensing, as well as their implications for society and the economy. Overall, this chapter provides insights into the emerging field of quantum neural networks and sets the stage for further research and innovation in this exciting area.
The remarkable generalization capabilities of overparameterized neural networks remain one of the most profound mysteries in modern machine learning. Despite having sufficient capacity to simply memorize training data, these networks consistently achieve superior performance on unseen test examples. Traditional analyses focusing on weight distributions, loss landscapes, and optimization dynamics have provided partial insights but fail to capture the complex correlational structure that emerges between neurons during learning. This paper introduces a comprehensive quantum information framework for analyzing neural network representations, treating hidden layer activations as quantum states and characterizing them through density matrices, von Neumann entropy, purity, and related quantum information metrics. Through systematic experiments on synthetic classification tasks and algorithmic reasoning problems spanning over 3000 cumulative training epochs and 5000 Wang-Landau sampling iterations, we demonstrate that these quantum metrics reveal structure completely invisible to classical analysis. Our results show that stochastic gradient descent systematically reduces von Neumann entropy while increasing purity as networks learn, transitioning from highly mixed quantum states with entropy approximately 1.42 and purity approximately 0.29 to purer configurations with entropy approximately 1.19 and purity approximately 0.37 that achieve superior test accuracy of 99.5%. Using Wang-Landau sampling to explore the equilibrium entropy landscape, we discover that neural networks naturally favor high-entropy states with entropy approximately 1.42 and moderate accuracy of 62.0%, and that optimization actively purifies the quantum state to achieve task performance. On modular arithmetic tasks exhibiting the grokking phenomenon, we observe that von Neumann entropy increases dramatically from 1.55 to 3.29, representing a 112% increase, during an extended 2000-epoch memorization phase before any improvement in generalization, while purity decreases correspondingly from 0.444 to 0.042, a 90.5% decrease, approaching the maximally mixed limit of 0.01. This entropy accumulation phase appears necessary for eventual generalization, with the network building quantum correlations at a rate of approximately 0.00097 nats per epoch during the plateau. Weight entropy, in contrast, shows minimal change of only 11% increase over the same period. Correlation analysis reveals that von Neumann entropy and purity are almost perfectly anticorrelated with a correlation coefficient of 1-0.99, while weight entropy shows weak correlation with quantum metrics with absolute correlation coefficients less than 0.3. The effective rank of the density matrix stabilizes near 2.7 to 3.0 for the 6-neuron classifier, indicating that the network effectively uses approximately three independent activation modes. These findings establish quantum information metrics as powerful tools for understanding neural network learning dynamics, provide the first quantitative evidence for the entropy accumulation interpretation of grokking, and suggest that neural networks undergo a quantum-inspired phase transition during learning. We discuss implications for generalization theory, optimization algorithm design, and the statistical physics of deep learning, and outline a comprehensive research agenda for extending these methods to larger architectures and more complex tasks.