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Graph-structured data commonly arise in many real-world applications, and this extends naturally into the quantum setting, where quantum data with inherent graph structures are frequently generated by typical quantum data sources. However,…

Learning and reasoning about 3D molecular structures with varying size is an emerging and important challenge in machine learning and especially in drug discovery. Equivariant Graph Neural Networks (GNNs) can simultaneously leverage the…

In high-energy particle collisions, the primary collision products usually decay further resulting in tree-like, hierarchical structures with a priori unknown multiplicity. At the stable-particle level all decay products of a collision form…

Molecular interactions often involve high-order relationships that cannot be fully captured by traditional graph-based models limited to pairwise connections. Hypergraphs naturally extend graphs by enabling multi-way interactions, making…

Quantum machine learning is receiving significant attention currently, but its usefulness in comparison to classical machine learning techniques for practical applications remains unclear. However, there are indications that certain quantum…

This paper presents a comprehensive evaluation of the potential of Quantum Convolutional Neural Networks (QCNNs) in comparison to classical Convolutional Neural Networks (CNNs) and Artificial / Classical Neural Network (ANN) models. With…

Graph Neural Networks (GNNs) are effective for processing graph-structured data but face challenges with large graphs due to high memory requirements and inefficient sparse matrix operations on GPUs. Quantum Computing (QC) offers a…

This work presents a quantum convolutional neural network (QCNN) for the classification of high energy physics events. The proposed model is tested using a simulated dataset from the Deep Underground Neutrino Experiment. The proposed…

We introduce Quantum Graph Neural Networks (QGNN), a new class of quantum neural network ansatze which are tailored to represent quantum processes which have a graph structure, and are particularly suitable to be executed on distributed…

Classical deep neural networks can learn rich multi-particle correlations in collider data, but their inductive biases are rarely anchored in physics structure. We propose quantum-informed neural networks (QINNs), a general framework that…

In hierarchal order of molecular geometry, we compare the performances of Geometric Quantum Machine Learning models. Two molecular datasets are considered: the simplistic linear shaped LiH-molecule and the trigonal pyramidal molecule NH3.…

Equivariant Graph Neural Networks (eGNNs) trained on density-functional theory (DFT) data can potentially perform electronic structure prediction at unprecedented scales, enabling investigation of the electronic properties of materials with…

We compare the performance of randomized classical and quantum neural networks (NNs) as well as classical and quantum-classical hybrid convolutional neural networks (CNNs) for the task of supervised binary image classification. We keep the…

Pattern recognition problems in high energy physics are notably different from traditional machine learning applications in computer vision. Reconstruction algorithms identify and measure the kinematic properties of particles produced in…

Graph neural networks excel at modeling pairwise interactions, but they cannot flexibly accommodate higher-order interactions and features. Topological deep learning (TDL) has emerged recently as a promising tool for addressing this issue.…

Graphs are a fundamental representation of complex, nonlinear structured data across various domains, including social networks and quantum systems. Quantum Graph Recurrent Neural Networks (QGRNNs) have been proposed to model quantum…

The Large Hadron Collider (LHC) at the European Organisation for Nuclear Research (CERN) will be upgraded to further increase the instantaneous rate of particle collisions (luminosity) and become the High Luminosity LHC (HL-LHC). This…

The rapid growth of computer vision and increasingly complex image recognition tasks has exposed fundamental computational limitations of classical machine learning models, motivating the exploration of quantum computing as an emerging new…

Recently, graph neural networks (GNNs) have become an important and active research direction in deep learning. It is worth noting that most of the existing GNN-based methods learn graph representations within the Euclidean vector space.…

To accelerate the process of materials design, materials science has increasingly used data driven techniques to extract information from collected data. Specially, machine learning (ML) algorithms, which span the ML discipline, have…