Quantum Convolutional Neural Networks for Groundwater Heat Plume Prediction: A Surrogate Modeling Approach

This work presents a study of an implementation of a novel Quantum Convolutional Neural Network (QCNN) for binary classification of images from the Modified National Institute of Standards and Technology (MNIST) dataset. Using a novel architecture inspired by previous QCNN and classical convolutional neural network (CNN) implementations, we use a hierarchical partitioning approach to implement a QCNN circuit that can be approximated and simulated efficiently on a classical machine for a large problem. First, the original image is partitioned such that each process handles a smaller portion of the image, which is encoded into independent states. Then, these partitions merge and combine, resulting in states that contain information from both partitions while halving the number of processes. After repeating this until one process remains, we reduce the dimensionality of the state until a single qubit remains for measurement. Using this approach, we can use multiple processes in parallel to simulate a large QCNN program without the need for exponentially growing hardware requirements as the number of qubits increases. In our work, we use this scheme to train a 128-qubit model, which is impossible to run on any classical supercomputer without the novel architecture. We also explore the impact of this new model architecture on prediction accuracy by training it to perform binary classification on the MNIST dataset with a small number of qubits, and comparing it to a model without partitioning. Our initial findings show that partitioning images into smaller sub-images with this architecture does not degrade the model's performance and sometimes even improves it, likely because it reduces the Barren plateaus issue in the partitioning process.

Numerous studies have analyzed the use of hybrid quantum-classical convolutional neural networks as a promising alternative to classical deep learning. However, network components on quantum hardware impose fundamental limitations, while the scalability of quantum circuits leads to trainability issues. In this work, we investigate whether small, classically-emulated quantum circuit components can play a meaningful role within complex models, offering an alternative to purely classical convolutional architectures. To this end, we present a systematic study of the effectiveness of a Hybrid Quantum-inspired Convolutional Neural Network (HQiCNN) compared with a parameter-matched classical Convolutional Neural Network (CNN) that differs only in an intermediate dense neural layer. Both models are evaluated on two real-world medical datasets while systematically varying the different hyperparameters, ensuring a fair model comparison that is both dataset and hyperparameter independent. The results show that no architecture consistently dominates the other: the HQiCNN achieves its largest gains in intermediate-data regimes, whereas the CNN reaches the highest accuracies for the largest training sets in both datasets. Furthermore, removing entanglement produces comparable performance while enabling substantially better scalability of quantum simulations, and richer observable sets become beneficial only when sufficient training data are available. Finally, we propose two SHAP-based explainability tools for comparing the predictions between both models, $|SHAP|$IoU and $EMD_{pos}$ metric, to demonstrate that both architectures consistently attend to anatomically plausible regions. Thus, we provide a comprehensive benchmark showing that, under certain conditions, hybrid quantum-inspired models are an alternative that can offer benefits in practical tasks such as medical image classification.

Graph Neural Networks (GNNs) achieve state-of-the-art performance on graph-structured data, but training and inference on large graphs are often bottlenecked by memory constraints and sparse linear-algebra workloads. Quantum computing offers an alternative set of primitives that may improve scalability for graph learning. Building on the quantum graph neural network (QGNN) framework of Liao \textit{et al.}, this work implements two representative architectures --- the Simplified Graph Convolution (SGC) and Linear Graph Convolution (LGC) models --- and evaluates them on open benchmark graph datasets and semi-supervised learning tasks using quantum simulation. We compare predictive performance and optimization behavior against classical baselines, showing that the quantum models achieve competitive performance with fewer parameters. Finally, we present a cost gradient analysis that identifies the tasks for which the models showcased are trainable. This is followed by a classical simulability study to find regimes in which the proposed circuits remain robust during training.