Methods of artificial intelligence (AI) and especially machine learning (ML) have been growing ever more complex, and at the same time have more and more impact on people's lives. This leads to explainable AI (XAI) manifesting itself as an important research field that helps humans to better comprehend ML systems. In parallel, quantum machine learning (QML) is emerging with the ongoing improvement of quantum computing hardware combined with its increasing availability via cloud services. QML enables quantum-enhanced ML in which quantum mechanics is exploited to facilitate ML tasks, typically in the form of quantum-classical hybrid algorithms that combine quantum and classical resources. Quantum gates constitute the building blocks of gate-based quantum hardware and form circuits that can be used for quantum computations. For QML applications, quantum circuits are typically parameterized and their parameters are optimized classically such that a suitably defined objective function is minimized. Inspired by XAI, we raise the question of the explainability of such circuits by quantifying the importance of (groups of) gates for specific goals. To this end, we apply the well-established concept of Shapley values. The resulting attributions can be interpreted as explanations for why a specific circuit works well for a given task, improving the understanding of how to construct parameterized (or variational) quantum circuits, and fostering their human interpretability in general. An experimental evaluation on simulators and two superconducting quantum hardware devices demonstrates the benefits of the proposed framework for classification, generative modeling, transpilation, and optimization. Furthermore, our results shed some light on the role of specific gates in popular QML approaches.
We propose a novel definition of Shapley values with uncertain value functions based on first principles using probability theory. Such uncertain value functions can arise in the context of explainable machine learning as a result of non-deterministic algorithms. We show that random effects can in fact be absorbed into a Shapley value with a noiseless but shifted value function. Hence, Shapley values with uncertain value functions can be used in analogy to regular Shapley values. However, their reliable evaluation typically requires more computational effort.
Christian Bauckhage, Thore Gerlach, Nico Piatkowski
We show that the fundamental tasks of sorting lists and building search trees or heaps can be modeled as quadratic unconstrained binary optimization problems (QUBOs). The idea is to understand these tasks as permutation problems and to devise QUBOs whose solutions represent appropriate permutation matrices. We discuss how to construct such QUBOs and how to solve them using Hopfield nets or adiabatic) quantum computing. In short, we show that neurocomputing methods or quantum computers can solve problems usually associated with abstract data structures.
Thore Gerlach, Loong Kuan Lee, Frédéric Barbaresco et al.
Multi-Agent Path Finding (MAPF) focuses on determining conflict-free paths for multiple agents navigating through a shared space to reach specified goal locations. This problem becomes computationally challenging, particularly when handling large numbers of agents, as frequently encountered in practical applications like coordinating autonomous vehicles. Quantum Computing (QC) is a promising candidate in overcoming such limits. However, current quantum hardware is still in its infancy and thus limited in terms of computing power and error robustness. In this work, we present the first optimal hybrid quantum-classical MAPF algorithms which are based on branch-andcut-and-price. QC is integrated by iteratively solving QUBO problems, based on conflict graphs. Experiments on actual quantum hardware and results on benchmark data suggest that our approach dominates previous QUBO formulationsand state-of-the-art MAPF solvers.