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Quantum machine learning (QML) is a promising paradigm for tackling computational problems that challenge classical AI. Yet, the inherent probabilistic behavior of quantum mechanics, device noise in NISQ hardware, and hybrid…

Quantum Physics · Physics 2025-11-05 Ferhat Ozgur Catak , Jungwon Seo , Umit Cali

The development of quantum neural networks (QNNs) has attracted considerable attention due to their potential to surpass classical models in certain machine learning tasks. Nonetheless, it remains unclear under which conditions QNNs provide…

We investigate quantum circuits for graph representation learning, and propose equivariant quantum graph circuits (EQGCs), as a class of parameterized quantum circuits with strong relational inductive bias for learning over graph-structured…

Machine Learning · Computer Science 2022-06-15 Péter Mernyei , Konstantinos Meichanetzidis , İsmail İlkan Ceylan

Quantum machine learning (QML) is emerging as an application of quantum computing with the potential to deliver quantum advantage, but its realisation for practical applications remains impeded by challenges. Amongst those, a key barrier is…

We introduce an information theoretic criterion for Bayesian network structure learning which we call quotient normalized maximum likelihood (qNML). In contrast to the closely related factorized normalized maximum likelihood criterion, qNML…

Machine Learning · Computer Science 2024-08-28 Tomi Silander , Janne Leppä-aho , Elias Jääsaari , Teemu Roos

Quantum Graph Neural Networks (QGNNs) offer a promising approach to combining quantum computing with graph-structured data processing. While classical Graph Neural Networks (GNNs) are scalable and robust, existing QGNNs often lack…

Quantum Physics · Physics 2026-01-13 Arthur M. Faria , Ignacio F. Graña , Savvas Varsamopoulos

Quantum Machine Learning (QML) has emerged as a promising intersection of quantum computing and classical machine learning, anticipated to drive breakthroughs in computational tasks. This paper discusses the question which security concerns…

This tutorial intends to introduce readers with a background in AI to quantum machine learning (QML) -- a rapidly evolving field that seeks to leverage the power of quantum computers to reshape the landscape of machine learning. For…

There has been significant recent interest in quantum neural networks (QNNs), along with their applications in diverse domains. Current solutions for QNNs pose significant challenges concerning their scalability, ensuring that the…

Quantum Physics · Physics 2022-03-24 Mohsen Heidari , Ananth Grama , Wojciech Szpankowski

Quantum machine learning (QML) is the spearhead of quantum computer applications. In particular, quantum neural networks (QNN) are actively studied as the method that works both in near-term quantum computers and fault-tolerant quantum…

Quantum Physics · Physics 2022-09-07 Kouhei Nakaji , Hiroyuki Tezuka , Naoki Yamamoto

Geometric quantum machine learning (GQML) aims to embed problem symmetries for learning efficient solving protocols. However, the question remains if (G)QML can be routinely used for constructing protocols with an exponential separation…

Quantum Physics · Physics 2024-02-07 Chukwudubem Umeano , Vincent E. Elfving , Oleksandr Kyriienko

Geometric deep learning refers to the scenario in which the symmetries of a dataset are used to constrain the parameter space of a neural network and thus, improve their trainability and generalization. Recently this idea has been…

Quantum Physics · Physics 2024-11-19 Sreetama Das , Stefano Martina , Filippo Caruso

Equivariant Graph Neural Networks (EGNNs) have emerged as a promising approach in Multi-Agent Reinforcement Learning (MARL), leveraging symmetry guarantees to greatly improve sample efficiency and generalization. However, real-world…

Machine Learning · Computer Science 2025-03-21 Joshua McClellan , Greyson Brothers , Furong Huang , Pratap Tokekar

The rapid advancements in quantum computing (QC) and machine learning (ML) have sparked significant interest, driving extensive exploration of quantum machine learning (QML) algorithms to address a wide range of complex challenges. The…

Quantum Physics · Physics 2025-05-27 Samuel Yen-Chi Chen , Huan-Hsin Tseng , Hsin-Yi Lin , Shinjae Yoo

Current climate models often struggle with accuracy because they lack sufficient resolution, a limitation caused by computational constraints. This reduces the precision of weather forecasts and long-term climate predictions. To address…

Atmospheric and Oceanic Physics · Physics 2024-10-03 Adib Bazgir , Yuwen Zhang

By conceiving physical systems as 3D many-body point clouds, geometric graph neural networks (GNNs), such as SE(3)/E(3) equivalent GNNs, have showcased promising performance. In particular, their effective message-passing mechanics make…

Machine Learning · Computer Science 2024-01-30 Weitao Du , Shengchao Liu , Xuecang Zhang

At the dynamic nexus of artificial intelligence and quantum technology, quantum neural networks (QNNs) play an important role as an emerging technology in the rapidly developing field of quantum machine learning. This development is set to…

The accurate description of electrostatic interactions remains a challenging problem for fitted potential-energy functions. The commonly used fixed partial-charge approximation fails to reproduce the electrostatic potential at short range…

Chemical Physics · Physics 2022-04-05 Moritz Thürlemann , Lennard Böselt , Sereina Riniker

Learning to optimize is a rapidly growing area that aims to solve optimization problems or improve existing optimization algorithms using machine learning (ML). In particular, the graph neural network (GNN) is considered a suitable ML model…

Machine Learning · Computer Science 2023-05-29 Ziang Chen , Jialin Liu , Xinshang Wang , Jianfeng Lu , Wotao Yin

The rapid advancement of quantum computing (QC) and machine learning (ML) has given rise to the burgeoning field of quantum machine learning (QML), aiming to capitalize on the strengths of quantum computing to propel ML forward. Despite its…

Quantum Physics · Physics 2024-07-30 Xin Dai , Tzu-Chieh Wei , Shinjae Yoo , Samuel Yen-Chi Chen