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arXiv:2301.09138 · Quantum Machine Intelligence

Explaining quantum circuits with Shapley values: towards explainable quantum machine learning

Raoul Heese, Thore Gerlach, Sascha Mücke, Sabine Müller, Matthias Jakobs, Nico Piatkowski

Published Feb 25, 2025• 30 citations
arXivHTMLPDF

Abstract

Abstract 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.

DOI
10.1007/s42484-025-00254-8

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Abstract As machine learning grows increasingly complex due to big data and deep learning, model explainability has become essential to fostering user trust. Quantum machine learning (QML) has emerged as a promising field, leveraging quantum computing to enhance classical machine learning methods, particularly through quantum representation learning (QRL). QRL aims to provide more efficient and powerful machine learning capabilities on noisy intermediate-scale quantum (NISQ) devices. However, interpreting QRL models poses significant challenges due to the reliance on quantum gate-based parameterized circuits, which, while analogous to classical neural network layers, operate in the quantum domain. To address these challenges, we propose an explainable QRL framework combining a quantum autoencoder (QAE) with a variational quantum classifier (VQC) and incorporating theoretical and empirical explainability for image data. Our dual approach enhances model interpretability by integrating visual explanations via local interpretable model-agnostic explanations (LIME) and analytical insights using Shapley Additive Explanations (SHAP). These complementary methods provide a deeper understanding of the model’s decision-making process based on prediction outcomes. Experimental evaluations on simulators and superconducting quantum hardware validate the effectiveness of the proposed framework for classification tasks, underscoring the importance of explainable representation learning in advancing QML towards more transparent and reliable applications.
Quantum Machine Learning (QML) has emerged as a promising paradigm that leverages quantum mechanical principles to accelerate machine learning tasks.Despite its potential, most QML models remain opaque "black boxes," hindering their deployment in high-stakes or regulated domains where trust and accountability are essential.This work introduces two novel interpretability methods tailored for QML: Quantum Shapley Values (QSV) and Quantum Local Interpretable Model-Agnostic Explanations (Q-LIME).QSV adapts cooperative game theory to quantify the contribution of individual qubits, observables, or circuit parameters, while Q-LIME generates perturbed quantum states and trains surrogate classical models to approximate local decision boundaries.Through experiments on variational quantum classifiers and hybrid quantum-classical neural networks, we demonstrate that QSV provides rigorous attribution but suffers from scalability constraints, whereas Q-LIME yields efficient, approximate explanations suitable for near-term devices.By transforming quantum models from opaque "black boxes" into interpretable "glass boxes," this research lays the foundation for trustworthy, transparent, and human centred quantum AI.
The rapid advancement of Artificial Intelligence (AI) has heightened concerns about the opacity of decision-making processes in complex models, particularly deep neural networks. This research explores a novel paradigm that integrates quantum computing principles into Explainable AI (XAI) to enhance interpretability without compromising predictive accuracy. The study introduces a Quantum-inspired Interpretable Model (QIIM) framework that leverages Hilbert space embeddings, unitary transformations, and operator-based learning to represent knowledge in a mathematically transparent form. The proposed model computes interpretability through the expectation values of observable operators, enabling the decomposition of decisions into quantifiable, human-understandable components. To capture hierarchical relationships, a Tensor Network Interpretable Model (TNIM) is further developed, offering scalable insights into complex dependencies among features. Experimental evaluations—performed on benchmark datasets for decision-making tasks—demonstrate that the quantum-inspired models achieve competitive accuracy while significantly improving local and global interpretability metrics compared to classical XAI techniques. The findings underscore the potential of quantum formalism as a new foundation for transparent AI systems, bridging the gap between computational efficiency and explainability. This study contributes to both theoretical understanding and practical advancement in interpretable machine learning, paving the way for ethically aligned, transparent, and human-trustworthy AI-driven decision support systems.
Machine Learning (ML) has been widely applied across numerous domains due to its ability to automatically identify informative patterns from data for various tasks. The availability of large-scale data and advanced computational power enables the development of sophisticated models and training strategies, leading to state-of-the-art performance, but it also introduces substantial challenges. Quantum Computing (QC), which exploits quantum mechanisms for computation, has attracted growing attention and significant global investment as it may address these challenges. Consequently, Quantum Machine Learning (QML), the integration of these two fields, has received increasing interest, with a notable rise in related studies in recent years. We are motivated to review these existing contributions regarding quantum circuit-based learning models for classical data analysis and highlight the identified potentials and challenges of this technique. Specifically, we focus not only on QML models, both kernel-based and neural network-based, but also on recent explorations of their integration with classical machine learning layers within hybrid frameworks. Moreover, we examine both theoretical analysis and empirical findings to better understand their capabilities, and we also discuss the efforts on noise-resilient and hardware-efficient QML that could enhance its practicality under current hardware limitations. In addition, we cover several emerging paradigms for advanced quantum circuit design and highlight the adaptability of QML across representative application domains. This study aims to provide an overview of the contributions made to bridge quantum computing and machine learning, offering insights and guidance to support its future development and pave the way for broader adoption in the coming years.
In recent years, machine learning has achieved remarkable success in tasks such as image classification and solving complex real-world problems. The achievements of deep neural networks (DNNs) have led to the widespread adoption of block-based architectures. However, as the demand for Explainable AI (XAI) grows, there is a need for models that provide greater transparency and interpretability. Our work addresses this need by exploring the potential of quantum-classical hybrid models. By integrating classical neural networks (ClaNNs) with quantum neural networks (QNNs), we aim to develop AI systems that are not only powerful but also interpretable. We propose a framework that combines parameterized quantum circuits (PQCs) with classical layers to create a hybrid block design for QNNs. By adding a linear layer after the PQCs, the flexibility of the block design is increased. This architecture enhances the adaptability of QNN design and facilitates the integration of XAI principles through the comparison of the loss function planes. Our training method, inspired by knowledge distillation, addresses existing challenges in PQC-based QNN designs, providing insights into the optimization landscape. We validate the effectiveness of our hybrid block through experiments on standard datasets, demonstrating its potential to achieve comparable accuracy to traditional DNNs while providing improved interpretability.
This research paper explores the explainability of decision-making in hybrid quantum–classical classification models. Quantum Machine Learning (QML) combines the power of quantum computing with classical machine learning techniques to solve complex computational problems. However, understanding how these hybrid models make decisions remains a significant challenge. The study focuses on analyzing hybrid quantum–classical architectures and evaluating methods that improve the interpretability of their predictions. Techniques from Explainable Artificial Intelligence (XAI) are applied to investigate the internal decision-making processes of the models. The research also compares classical machine learning approaches with quantum-enhanced models to understand their performance and transparency. The results demonstrate that explainability techniques can help researchers better interpret model predictions, identify important features, and improve trust in hybrid quantum–classical systems. This work contributes to the development of transparent and reliable quantum machine learning applications in areas such as healthcare, finance, and data analytics.