Graph Neural Networks on Quantum Computers

Graph Neural Networks (GNNs) are powerful machine learning models that excel at analyzing structured data represented as graphs, demonstrating remarkable performance in applications like social network analysis and recommendation systems. However, classical GNNs face scalability challenges when dealing with large-scale graphs. This paper proposes frameworks for implementing GNNs on quantum computers to potentially address the challenges. We devise quantum algorithms corresponding to the three fundamental types of classical GNNs: Graph Convolutional Networks, Graph Attention Networks, and Message-Passing GNNs. A complexity analysis of our quantum implementation of the Simplified Graph Convolutional (SGC) Network shows potential quantum advantages over its classical counterpart, with significant improvements in time and space complexities. Our complexities can have trade-offs between the two: when optimizing for minimal circuit depth, our quantum SGC achieves logarithmic time complexity in the input sizes (albeit at the cost of linear space complexity). When optimizing for minimal qubit usage, the quantum SGC exhibits space complexity logarithmic in the input sizes, offering an exponential reduction compared to classical SGCs, while still maintaining better time complexity. These results suggest our Quantum GNN frameworks could efficiently process large-scale graphs. This work paves the way for implementing more advanced Graph Neural Network models on quantum computers, opening new possibilities in quantum machine learning for analyzing graph-structured data.

Sub-universal variational circuits for combinatorial optimization problems

Quantum variational circuits have gained significant attention due to their applications in the quantum approximate optimization algorithm and quantum machine learning research. This work introduces a novel class of classical probabilistic circuits designed for generating approximate solutions to combinatorial optimization problems constructed using two-bit stochastic matrices. Through a numerical study, we investigate the performance of our proposed variational circuits in solving the Max-Cut problem on various graphs of increasing sizes. Our classical algorithm demonstrates improved performance for several graph types to the quantum approximate optimization algorithm. Our findings suggest that evaluating the performance of quantum variational circuits against variational circuits with sub-universal gate sets is a valuable benchmark for identifying areas where quantum variational circuits can excel.

Explicability and Inexplicability in the Interpretation of Quantum Neural Networks

Interpretability of artificial intelligence (AI) methods, particularly deep neural networks, is of great interest due to the widespread use of AI-backed systems, which often have unexplainable behavior. The interpretability of such models is a crucial component of building trusted systems. Many methods exist to approach this problem, but they do not obviously generalize to the quantum setting. Here we explore the interpretability of quantum neural networks using local model-agnostic interpretability measures of quantum and classical neural networks. We introduce the concept of the band of inexplicability, representing the interpretable region in which data samples have no explanation, likely victims of inherently random quantum measurements. We see this as a step toward understanding how to build responsible and accountable quantum AI models.

An Invitation to Distributed Quantum Neural Networks

Deep neural networks have established themselves as one of the most promising machine learning techniques. Training such models at large scales is often parallelized, giving rise to the concept of distributed deep learning. Distributed techniques are often employed in training large models or large datasets either out of necessity or simply for speed. Quantum machine learning, on the other hand, is the interplay between machine learning and quantum computing. It seeks to understand the advantages of employing quantum devices in developing new learning algorithms as well as improving the existing ones. A set of architectures that are heavily explored in quantum machine learning are quantum neural networks. In this review, we consider ideas from distributed deep learning as they apply to quantum neural networks. We find that the distribution of quantum datasets shares more similarities with its classical counterpart than does the distribution of quantum models, though the unique aspects of quantum data introduces new vulnerabilities to both approaches. We review the current state of the art in distributed quantum neural networks, including recent numerical experiments and the concept of circuit cutting.

Quantum Optimization for Training Quantum 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.