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Quantum machine learning promises great speedups over classical algorithms, but it often requires repeated computations to achieve a desired level of accuracy for its point estimates. Bayesian learning focuses more on sampling from posterior distributions than on point estimation, thus it might be more forgiving in the face of additional quantum noise. We propose a quantum algorithm for Bayesian neural network inference, drawing on recent advances in quantum deep learning, and simulate its empirical performance on several tasks. We find that already for small numbers of qubits, our algorithm approximates the true posterior well, while it does not require any repeated computations and thus fully realizes the quantum speedups.
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Probabilistic graphical models such as Bayesian networks are widely used to model stochastic systems to perform various types of analysis such as probabilistic prediction, risk analysis, and system health monitoring, which can become computationally expensive in large-scale systems. While demonstrations of true quantum supremacy remain rare, quantum computing applications managing to exploit the advantages of amplitude amplification have shown significant computational benefits when compared against their classical counterparts. We develop a systematic method for designing a quantum circuit to represent a generic discrete Bayesian network with nodes that may have two or more states, where nodes with more than two states are mapped to multiple qubits. The marginal probabilities associated with root nodes (nodes without any parent nodes) are represented using rotation gates, and the conditional probability tables associated with non-root nodes are represented using controlled rotation gates. The controlled rotation gates with more than one control qubit are represented using ancilla qubits. The proposed approach is demonstrated for three examples: a 4-node oil company stock prediction, a 10-node network for liquidity risk assessment, and a 9-node naive Bayes classifier for bankruptcy prediction. The circuits were designed and simulated using Qiskit, a quantum computing platform that enables simulations and also has the capability to run on real quantum hardware. The results were validated against those obtained from classical Bayesian network implementations.
We introduce Quantum Graph Neural Networks (QGNN), a new class of quantum neural network ansatze which are tailored to represent quantum processes which have a graph structure, and are particularly suitable to be executed on distributed quantum systems over a quantum network. Along with this general class of ansatze, we introduce further specialized architectures, namely, Quantum Graph Recurrent Neural Networks (QGRNN) and Quantum Graph Convolutional Neural Networks (QGCNN). We provide four example applications of QGNNs: learning Hamiltonian dynamics of quantum systems, learning how to create multipartite entanglement in a quantum network, unsupervised learning for spectral clustering, and supervised learning for graph isomorphism classification.
In recent times, neural networks have become a powerful tool for the analysis of complex and abstract data models. However, their introduction intrinsically increases our uncertainty about which features of the analysis are model-related and which are due to the neural network. This means that predictions by neural networks have biases which cannot be trivially distinguished from being due to the true nature of the creation and observation of data or not. In order to attempt to address such issues we discuss Bayesian neural networks: neural networks where the uncertainty due to the network can be characterised. In particular, we present the Bayesian statistical framework which allows us to categorise uncertainty in terms of the ingrained randomness of observing certain data and the uncertainty from our lack of knowledge about how data can be created and observed. In presenting such techniques we show how errors in prediction by neural networks can be obtained in principle, and provide the two favoured methods for characterising these errors. We will also describe how both of these methods have substantial pitfalls when put into practice, highlighting the need for other statistical techniques to truly be able to do inference when using neural networks.
Training quantum neural networks (QNNs) using gradient-based or gradient-free classical optimisation approaches is severely impacted by the presence of barren plateaus in the cost landscapes. In this paper, we devise a framework for leveraging quantum optimisation algorithms to find optimal parameters of QNNs for certain tasks. To achieve this, we coherently encode the cost function of QNNs onto relative phases of a superposition state in the Hilbert space of the network parameters. The parameters are tuned with an iterative quantum optimisation structure using adaptively selected Hamiltonians. The quantum mechanism of this framework exploits hidden structure in the QNN optimisation problem and hence is expected to provide beyond-Grover speed up, mitigating the barren plateau issue.
To make advanced learning machines such as Deep Neural Networks (DNNs) more transparent in decision making, explainable AI (XAI) aims to provide interpretations of DNNs predictions. These interpretations are usually given in the form of heatmaps, each one illustrating relevant patterns regarding the prediction for a given instance. Bayesian approaches such as Bayesian Neural Networks (BNNs) so far have a limited form of transparency (model transparency) already built-in through their prior weight distribution, but notably, they lack explanations of their predictions for given instances. In this work, we bring together these two perspectives of transparency into a holistic explanation framework for explaining BNNs. Within the Bayesian framework, the network weights follow a probability distribution. Hence, the standard (deterministic) prediction strategy of DNNs extends in BNNs to a predictive distribution, and thus the standard explanation extends to an explanation distribution. Exploiting this view, we uncover that BNNs implicitly employ multiple heterogeneous prediction strategies. While some of these are inherited from standard DNNs, others are revealed to us by considering the inherent uncertainty in BNNs. Our quantitative and qualitative experiments on toy/benchmark data and real-world data from pathology show that the proposed approach of explaining BNNs can lead to more effective and insightful explanations.
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