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To harness the potential of noisy intermediate-scale quantum devices, it is paramount to find the best type of circuits to run hybrid quantum-classical algorithms. Key candidates are parametrized quantum circuits that can be effectively…

Quantum Physics · Physics 2022-02-28 Tobias Haug , Kishor Bharti , M. S. Kim

Graph Neural Networks (GNNs) have become essential for handling large-scale graph applications. However, the computational demands of GNNs necessitate the development of efficient methods to accelerate inference. Mixed precision…

Machine Learning · Computer Science 2025-05-15 Samir Moustafa , Nils M. Kriege , Wilfried N. Gansterer

This work proposes a Graph Neural Network (GNN) modeling approach to predict the resulting surface from a particle based fabrication process. The latter consists of spray-based printing of cementitious plaster on a wall and is facilitated…

Computational Engineering, Finance, and Science · Computer Science 2025-04-01 Diego Machain Rivera , Selen Ercan Jenny , Ping Hsun Tsai , Ena Lloret-Fritschi , Luis Salamanca , Fernando Perez-Cruz , Konstantinos E. Tatsis

Despite recent advances in representation learning in hypercomplex (HC) space, this subject is still vastly unexplored in the context of graphs. Motivated by the complex and quaternion algebras, which have been found in several contexts to…

Machine Learning · Computer Science 2022-02-22 Tuan Le , Marco Bertolini , Frank Noé , Djork-Arné Clevert

The quantum circuit model is the default for encoding an algorithm intended for a NISQ computer or a quantum computing simulator. A simple graph and through it, a graph state - quantum state physically manifesting an abstract graph…

Quantum Physics · Physics 2022-10-04 Greg Bowen , Simon Devitt

Hybrid quantum-classical models offer a promising route for learning from complex data; however, their application to multi-band remote sensing imagery often relies on generic, data-agnostic quantum circuits that fail to account for…

Quantum Physics · Physics 2026-05-01 Md Aminur Hossain , Ayush V. Patel , Biplab Banerjee

Quantum error mitigation (QEM) provides a practical route for estimating reliable observables on noisy intermediate-scale quantum (NISQ) devices. Traditional QEM strategies, including zero-noise extrapolation (ZNE) and Clifford data…

Quantum Physics · Physics 2026-04-21 Huaxin Wang , Xinge Wu , Jiajun Liu , Ruiqing He , Jiandong Shang , Hengliang Guo , Qiang Chen

Parameterized quantum circuits (PQCs) are a central component of many variational quantum algorithms, yet there is a lack of understanding of how their parameterization impacts algorithm performance. We initiate this discussion by using…

Quantum Physics · Physics 2022-08-24 Amara Katabarwa , Sukin Sim , Dax Enshan Koh , Pierre-Luc Dallaire-Demers

Graph Neural Networks (GNNs) are widely used to compute representations of node pairs for downstream tasks such as link prediction. Yet, theoretical understanding of their expressive power has focused almost entirely on graph-level…

Machine Learning · Computer Science 2025-07-01 Veronica Lachi , Francesco Ferrini , Antonio Longa , Bruno Lepri , Andrea Passerini , Manfred Jaeger

Quantum computing crucially relies on the ability to efficiently characterize the quantum states output by quantum hardware. Conventional methods which probe these states through direct measurements and classically computed correlations…

Graph generation poses a significant challenge as it involves predicting a complete graph with multiple nodes and edges based on simply a given label. This task also carries fundamental importance to numerous real-world applications,…

Machine Learning · Computer Science 2024-02-21 Xiandong Zou , Xiangyu Zhao , Pietro Liò , Yiren Zhao

We develop and implement two realizations of quantum graph neural networks (QGNN), applied to the task of particle interaction simulation. The first QGNN is a speculative quantum-classical hybrid learning model that relies on the ability to…

Quantum neural networks (QNNs) based on parametrized quantum circuits are promising candidates for machine learning applications, yet many architectures lack clear connections to classical models, potentially limiting their ability to…

Quantum Physics · Physics 2026-01-09 Sebastian Nagies , Emiliano Tolotti , Davide Pastorello , Enrico Blanzieri

Advances in machine learning have led to graph neural network-based methods for drug discovery, yielding promising results in molecular design, chemical synthesis planning, and molecular property prediction. However, current graph neural…

Quantitative Methods · Quantitative Biology 2021-07-13 Jiahua Rao , Shuangjia Zheng , Yuedong Yang

Various classes of Graph Neural Networks (GNN) have been proposed and shown to be successful in a wide range of applications with graph structured data. In this paper, we propose a theoretical framework able to compare the expressive power…

Machine Learning · Computer Science 2021-06-08 Waïss Azizian , Marc Lelarge

A central challenge in quantum machine learning is the design and training of parameterized quantum circuits (PQCs). Similar to deep learning, vanishing gradients pose immense problems in the trainability of PQCs, which have been shown to…

In this work, we propose novel families of positional encodings tailored to graph neural networks obtained with quantum computers. These encodings leverage the long-range correlations inherent in quantum systems that arise from mapping the…

Parameterized quantum circuits (PQC, aka, variational quantum circuits) are among the proposals for a computational advantage over classical computation of near-term (not fault tolerant) digital quantum computers. PQCs have to be "trained"…

Quantum Physics · Physics 2019-04-01 Evgenii Dolzhkov , Bahman Ghandchi , Dirk Oliver Theis

Parameterized quantum circuits (PQCs) have been widely used as a machine learning model to explore the potential of achieving quantum advantages for various tasks. However, training PQCs is notoriously challenging owing to the phenomenon of…

Quantum Physics · Physics 2024-11-06 Yabo Wang , Bo Qi , Chris Ferrie , Daoyi Dong

Noisy intermediate scale quantum computers are useful for various tasks such as state preparation and variational quantum algorithms. However, the non-Euclidean quantum geometry of parameterized quantum circuits is detrimental for these…

Quantum Physics · Physics 2023-01-31 Tobias Haug , M. S. Kim