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We present a Graph Neural Network (GNN) that accurately simulates a multidisperse suspension of interacting spherical particles. Our machine learning framework is built upon the recent work of Sanchez-Gonzalez et al. ICML, PMLR, 119,…

Computational Physics · Physics 2025-02-20 Aref Hashemi , Aliakbar Izadkhah

Graph Neural Networks (GNNs) have exploded onto the machine learning scene in recent years owing to their capability to model and learn from graph-structured data. Such an ability has strong implications in a wide variety of fields whose…

Machine Learning · Computer Science 2021-07-26 Sergi Abadal , Akshay Jain , Robert Guirado , Jorge López-Alonso , Eduard Alarcón

Graph learning is currently dominated by graph kernels, which, while powerful, suffer some significant limitations. Convolutional Neural Networks (CNNs) offer a very appealing alternative, but processing graphs with CNNs is not trivial. To…

Computer Vision and Pattern Recognition · Computer Science 2019-09-04 Antoine Jean-Pierre Tixier , Giannis Nikolentzos , Polykarpos Meladianos , Michalis Vazirgiannis

Temporal Graph Neural Networks (TGNNs) are widely used to model dynamic systems where relationships and features evolve over time. Although TGNNs demonstrate strong predictive capabilities in these domains, their complex architectures pose…

Machine Learning · Computer Science 2025-07-09 Zhan Qu , Daniel Gomm , Michael Färber

Accurately forecasting dynamic processes on graphs, such as traffic flow or disease spread, remains a challenge. While Graph Neural Networks (GNNs) excel at modeling and forecasting spatio-temporal data, they often lack the ability to…

Machine Learning · Computer Science 2024-08-30 Zakaria Elabid , Lena Sasal , Daniel Busby , Abdenour Hadid

Graph Neural Network (GNN) is a powerful tool to perform standard machine learning on graphs. To have a Euclidean representation of every node in the Non-Euclidean graph-like data, GNN follows neighbourhood aggregation and combination of…

Machine Learning · Computer Science 2021-11-18 Sucheta Dawn , Sanghamitra Bandyopadhyay

Graph neural networks (GNNs) have become a popular approach to integrating structural inductive biases into NLP models. However, there has been little work on interpreting them, and specifically on understanding which parts of the graphs…

Computation and Language · Computer Science 2022-10-04 Michael Sejr Schlichtkrull , Nicola De Cao , Ivan Titov

Graph Neural Networks (GNNs) have shown remarkable performance on graph-structured data. However, recent empirical studies suggest that GNNs are very susceptible to distribution shift. There is still significant ambiguity about why…

Machine Learning · Computer Science 2023-06-07 Qi Zhu , Yizhu Jiao , Natalia Ponomareva , Jiawei Han , Bryan Perozzi

Graph Neural Networks (GNNs) have become a central tool for learning on graph-structured data, yet their applicability to real-world systems remains limited by key challenges such as scalability, temporality, directionality, data…

Machine Learning · Computer Science 2025-10-28 Emanuele Rossi

Many complex systems are composed of interacting parts, and the underlying laws are usually simple and universal. While graph neural networks provide a useful relational inductive bias for modeling such systems, generalization to new system…

Machine Learning · Computer Science 2022-11-21 Zhe Li , Andreas S. Tolias , Xaq Pitkow

Deep learning methods for graphs achieve remarkable performance on many node-level and graph-level prediction tasks. However, despite the proliferation of the methods and their success, prevailing Graph Neural Networks (GNNs) neglect…

Machine Learning · Computer Science 2020-11-10 Emily Alsentzer , Samuel G. Finlayson , Michelle M. Li , Marinka Zitnik

In the current context of accelerated globalization and digitalization, the complexity and uncertainty of financial markets are increasing, and the identification and prevention of economic risks have become a key link in maintaining the…

Statistical Finance · Quantitative Finance 2024-11-20 Xin Zhang , Zhen Xu , Yue Liu , Mengfang Sun , Tong Zhou , Wenying Sun

Relational inference aims to identify interactions between parts of a dynamical system from the observed dynamics. Current state-of-the-art methods fit the dynamics with a graph neural network (GNN) on a learnable graph. They use one-step…

Machine Learning · Computer Science 2023-12-21 Liming Pan , Cheng Shi , Ivan Dokmanić

Geometric graphs are a special kind of graph with geometric features, which are vital to model many scientific problems. Unlike generic graphs, geometric graphs often exhibit physical symmetries of translations, rotations, and reflections,…

Graph neural networks (GNNs) have achieved strong performance in various applications. In the real world, network data is usually formed in a streaming fashion. The distributions of patterns that refer to neighborhood information of nodes…

Machine Learning · Computer Science 2020-12-07 Junshan Wang , Guojie Song , Yi Wu , Liang Wang

In robotics, it's crucial to understand object deformation during tactile interactions. A precise understanding of deformation can elevate robotic simulations and have broad implications across different industries. We introduce a method…

Computer Vision and Pattern Recognition · Computer Science 2024-02-07 Mahdi Saleh , Michael Sommersperger , Nassir Navab , Federico Tombari

This paper investigates the feasibility of using Graph Neural Networks (GNNs) for classical motion planning problems. We propose guiding both continuous and discrete planning algorithms using GNNs' ability to robustly encode the topology of…

Robotics · Computer Science 2020-12-15 Arbaaz Khan , Alejandro Ribeiro , Vijay Kumar , Anthony G. Francis

A central question in neuroscience is how self-organizing dynamic interactions in the brain emerge on their relatively static structural backbone. Due to the complexity of spatial and temporal dependencies between different brain areas,…

Neurons and Cognition · Quantitative Biology 2020-10-15 Simon Wein , Wilhelm Malloni , Ana Maria Tomé , Sebastian M. Frank , Gina-Isabelle Henze , Stefan Wüst , Mark W. Greenlee , Elmar W. Lang

The graph neural network (GNN) has demonstrated its superior performance in various applications. The working mechanism behind it, however, remains mysterious. GNN models are designed to learn effective representations for graph-structured…

Machine Learning · Computer Science 2022-06-10 Zepeng Zhang , Ziping Zhao

Graph Neural Networks (GNN) have emerged as a popular and standard approach for learning from graph-structured data. The literature on GNN highlights the potential of this evolving research area and its widespread adoption in real-life…

Machine Learning · Computer Science 2024-03-25 Sukhdeep Singh , Anuj Sharma , Vinod Kumar Chauhan
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