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Graph Neural Networks (GNNs) have emerged as a powerful tool to learn from graph-structured data. A paramount example of such data is the brain, which operates as a network, from the micro-scale of neurons, to the macro-scale of regions.…

Machine Learning · Computer Science 2022-11-17 Ahmed ElGazzar , Rajat Thomas , Guido van Wingen

Graph Neural Networks (GNNs) extend the success of neural networks to graph-structured data by accounting for their intrinsic geometry. While extensive research has been done on developing GNN models with superior performance according to a…

Graphs are essential for modeling complex relationships and capturing structured interactions in data. Graph Neural Networks (GNNs) are particularly effective when such relational structure is explicitly available, but many real-world…

Graphics · Computer Science 2026-03-02 Haozhe Chen , Soheila Farokhi , Kelvyn Bladen , Hamid Karimi , Kevin R. Moon

Graph Drawing techniques have been developed in the last few years with the purpose of producing aesthetically pleasing node-link layouts. Recently, the employment of differentiable loss functions has paved the road to the massive usage of…

Machine Learning · Computer Science 2022-07-04 Matteo Tiezzi , Gabriele Ciravegna , Marco Gori

Graph neural networks (GNNs) are a class of deep models that operate on data with arbitrary topology represented as graphs. We introduce an efficient memory layer for GNNs that can jointly learn node representations and coarsen the graph.…

Machine Learning · Computer Science 2020-06-11 Amir Hosein Khasahmadi , Kaveh Hassani , Parsa Moradi , Leo Lee , Quaid Morris

We describe an optical simulation program that models a complete, coupled-cavity interferometer like those used by the Laser Interferometer Gravitational-Wave Observatory (LIGO) Project. A wide variety of interferometer deformations can be…

Astrophysics · Physics 2009-11-10 Brett Bochner , Yaron Hefetz

Graph neural networks are deep neural networks designed for graphs with attributes attached to nodes or edges. The number of research papers in the literature concerning these models is growing rapidly due to their impressive performance on…

Machine Learning · Computer Science 2024-12-30 James H. Tanis , Chris Giannella , Adrian V. Mariano

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) are powerful deep learning models for graph-structured data, demonstrating remarkable success across diverse domains. Recently, the database (DB) community has increasingly recognized the potentiality of GNNs,…

Databases · Computer Science 2025-02-20 Ziming Li , Youhuan Li , Yuyu Luo , Guoliang Li , Chuxu Zhang

Understanding and interacting with everyday physical scenes requires rich knowledge about the structure of the world, represented either implicitly in a value or policy function, or explicitly in a transition model. Here we introduce a new…

We present a systematic investigation using graph neural networks (GNNs) to model organic chemical reactions. To do so, we prepared a dataset collection of four ubiquitous reactions from the organic chemistry literature. We evaluate seven…

Machine Learning · Computer Science 2020-07-10 Serim Ryou , Michael R. Maser , Alexander Y. Cui , Travis J. DeLano , Yisong Yue , Sarah E. Reisman

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

Graph Neural Networks (GNNs) are powerful machine learning models that excel at analyzing structured data represented as graphs, demonstrating remarkable performance in applications like social network analysis and recommendation systems.…

Quantum Physics · Physics 2024-05-28 Yidong Liao , Xiao-Ming Zhang , Chris Ferrie

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

Graph Neural Networks (GNNs) are an effective framework for representation learning of graphs. GNNs follow a neighborhood aggregation scheme, where the representation vector of a node is computed by recursively aggregating and transforming…

Machine Learning · Computer Science 2019-02-26 Keyulu Xu , Weihua Hu , Jure Leskovec , Stefanie Jegelka

OPF problems are formulated and solved for power system operations, especially for determining generation dispatch points in real-time. For large and complex power system networks with large numbers of variables and constraints, finding the…

Systems and Control · Electrical Eng. & Systems 2024-11-12 Thuan Pham , Xingpeng Li

Graph neural networks (GNNs) have recently grown in popularity in the field of artificial intelligence (AI) due to their unique ability to ingest relatively unstructured data types as input data. Although some elements of the GNN…

Machine Learning · Computer Science 2021-12-28 Isaac Ronald Ward , Jack Joyner , Casey Lickfold , Yulan Guo , Mohammed Bennamoun

Deep neural networks have enabled researchers to create powerful generalized frameworks, such as transformers, that can be used to solve well-studied problems in various application domains, such as text and image. However, such generalized…

Machine Learning · Computer Science 2025-02-12 Rudrajit Dawn , Madhusudan Ghosh , Partha Basuchowdhuri , Sudip Kumar Naskar

This paper presents the first use of graph neural networks (GNNs) for higher-order proof search and demonstrates that GNNs can improve upon state-of-the-art results in this domain. Interactive, higher-order theorem provers allow for the…

Machine Learning · Computer Science 2019-09-16 Aditya Paliwal , Sarah Loos , Markus Rabe , Kshitij Bansal , Christian Szegedy

Subsurface simulations use computational models to predict the flow of fluids (e.g., oil, water, gas) through porous media. These simulations are pivotal in industrial applications such as petroleum production, where fast and accurate…

Machine Learning · Computer Science 2022-06-16 Tailin Wu , Qinchen Wang , Yinan Zhang , Rex Ying , Kaidi Cao , Rok Sosič , Ridwan Jalali , Hassan Hamam , Marko Maucec , Jure Leskovec
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