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The determination of charged particle trajectories in collisions at the CERN Large Hadron Collider (LHC) is an important but challenging problem, especially in the high interaction density conditions expected during the future…

Recent work has demonstrated that geometric deep learning methods such as graph neural networks (GNNs) are well suited to address a variety of reconstruction problems in high energy particle physics. In particular, particle tracking data is…

High Energy Physics - Experiment · Physics 2023-02-07 Gage DeZoort , Savannah Thais , Javier Duarte , Vesal Razavimaleki , Markus Atkinson , Isobel Ojalvo , Mark Neubauer , Peter Elmer

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…

Machine Learning · Computer Science 2025-05-12 Tien Dang , Truong-Son Hy

In the forthcoming years the LHC experiments are going to be upgraded to benefit from the substantial increase of the LHC instantaneous luminosity, which will lead to larger, denser events, and, consequently, greater complexity in…

Quantum Physics · Physics 2026-03-10 Matteo Argenton , Laura Cappelli , Concezio Bozzi

Machine learning algorithms are heavily relied on to understand the vast amounts of data from high-energy particle collisions at the CERN Large Hadron Collider (LHC). The data from such collision events can naturally be represented with…

This study introduces a novel Graph Neural Network (GNN) architecture that leverages infrared and collinear (IRC) safety and equivariance to enhance the analysis of collider data for Beyond the Standard Model (BSM) discoveries. By…

High Energy Physics - Phenomenology · Physics 2024-08-21 Akanksha Bhardwaj , Christoph Englert , Wrishik Naskar , Vishal S. Ngairangbam , Michael Spannowsky

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. This increase in…

Particle track reconstruction is traditionally computationally challenging due to the combinatorial nature of the tracking algorithms employed. Recent developments have focused on novel algorithms with graph neural networks (GNNs), which…

Data Analysis, Statistics and Probability · Physics 2025-06-05 Jay Chan , Brandon Wang , Paolo Calafiura

Nuclear physics experiments are aimed at uncovering the fundamental building blocks of matter. The experiments involve high-energy collisions that produce complex events with many particle trajectories. Tracking charged particles resulting…

Machine Learning · Computer Science 2025-05-29 Ahmed Hossam Mohammed , Kishansingh Rajput , Simon Taylor , Denis Furletov , Sergey Furletov , Malachi Schram

Machine learning methods have a long history of applications in high energy physics (HEP). Recently, there is a growing interest in exploiting these methods to reconstruct particle signatures from raw detector data. In order to benefit from…

High Energy Physics - Phenomenology · Physics 2022-03-17 Javier Duarte , Jean-Roch Vlimant

In-time particle trajectory reconstruction in the Large Hadron Collider is challenging due to the high collision rate and numerous particle hits. Using GNN (Graph Neural Network) on FPGA has enabled superior accuracy with flexible…

Hardware Architecture · Computer Science 2023-06-28 Shi-Yu Huang , Yun-Chen Yang , Yu-Ru Su , Bo-Cheng Lai , Javier Duarte , Scott Hauck , Shih-Chieh Hsu , Jin-Xuan Hu , Mark S. Neubauer

Driven by the outstanding performance of neural networks in the structured Euclidean domain, recent years have seen a surge of interest in developing neural networks for graphs and data supported on graphs. The graph is leveraged at each…

Machine Learning · Computer Science 2021-07-28 Elvin Isufi , Fernando Gama , Alejandro Ribeiro

We introduce a novel variant of GNN for particle tracking called Hierarchical Graph Neural Network (HGNN). The architecture creates a set of higher-level representations which correspond to tracks and assigns spacepoints to these tracks,…

High Energy Physics - Experiment · Physics 2023-03-06 Ryan Liu , Paolo Calafiura , Steven Farrell , Xiangyang Ju , Daniel Thomas Murnane , Tuan Minh Pham

Designing neural network architectures that can handle data symmetry is crucial. This is especially important for geometric graphs whose properties are equivariance under Euclidean transformations. Current equivariant graph neural networks…

Machine Learning · Computer Science 2025-03-14 Viet-Hoang Tran , Thieu N. Vo , Tho Tran Huu , Tan Minh Nguyen

Accurate real-time modeling of multi-body dynamical systems is essential for enabling digital twin applications across industries. While many data-driven approaches aim to learn system dynamics, jointly predicting internal loads and system…

Machine Learning · Computer Science 2025-11-20 Vinay Sharma , Rémi Tanguy Oddon , Pietro Tesini , Jens Ravesloot , Cees Taal , Olga Fink

Brain biometrics based on electroencephalography (EEG) have been used increasingly for personal identification. Traditional machine learning techniques as well as modern day deep learning methods have been applied with promising results. In…

Effectively predicting molecular interactions has the potential to accelerate molecular dynamics by multiple orders of magnitude and thus revolutionize chemical simulations. Graph neural networks (GNNs) have recently shown great successes…

Computational Physics · Physics 2024-06-25 Johannes Gasteiger , Florian Becker , Stephan Günnemann

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…

Machine Learning · Computer Science 2022-03-03 Tuan Le , Frank Noé , Djork-Arné Clevert

Learning to reason about relations and dynamics over multiple interacting objects is a challenging topic in machine learning. The challenges mainly stem from that the interacting systems are exponentially-compositional, symmetrical, and…

Machine Learning · Computer Science 2022-03-15 Wenbing Huang , Jiaqi Han , Yu Rong , Tingyang Xu , Fuchun Sun , Junzhou Huang

Geometric graph neural networks (GNNs) that respect E(3) symmetries have achieved strong performance on small molecule modeling, but they face scalability and expressiveness challenges when applied to large biomolecules such as RNA and…

Biomolecules · Quantitative Biology 2025-06-26 Junjie Xu , Jiahao Zhang , Mangal Prakash , Xiang Zhang , Suhang Wang
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