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Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such…

Machine Learning · Computer Science 2020-06-22 Luca Franceschi , Mathias Niepert , Massimiliano Pontil , Xiao He

In recent years, graph neural networks (GNNs) have shown tremendous promise in solving problems in high energy physics, materials science, and fluid dynamics. In this work, we introduce a new application for GNNs in the physical sciences:…

Instrumentation and Methods for Astrophysics · Physics 2026-02-17 Sidharth Kannan , Pooyan Goodarzi , Evangelos E. Papalexakis , Jonathan W. Richardson

Recently, graph neural networks have been widely used for network embedding because of their prominent performance in pairwise relationship learning. In the real world, a more natural and common situation is the coexistence of pairwise…

Social and Information Networks · Computer Science 2021-01-19 Xiangguo Sun , Hongzhi Yin , Bo Liu , Hongxu Chen , Jiuxin Cao , Yingxia Shao , Nguyen Quoc Viet Hung

Neural surrogates promise large speedups over classical solvers for physical dynamics but fail silently at sharp dynamical events such as shocks, fronts, and contact. We present hybrid neural world models for physical dynamics: a recipe for…

Machine Learning · Computer Science 2026-05-28 Pranav Lakshmanan , Paras Chopra

Recently, methods that represent data as a graph, such as graph neural networks (GNNs) have been successfully used to learn data representations and structures to solve classification and link prediction problems. The applications of such…

Machine Learning · Computer Science 2022-10-04 Usman Mahmood , Zening Fu , Vince Calhoun , Sergey Plis

Deep-learning-based surrogate models provide an efficient complement to numerical simulations for subsurface flow problems such as CO$_2$ geological storage. Accurately capturing the impact of faults on CO$_2$ plume migration remains a…

Machine Learning · Computer Science 2023-06-19 Xin Ju , François P. Hamon , Gege Wen , Rayan Kanfar , Mauricio Araya-Polo , Hamdi A. Tchelepi

In the last decade or so, we have witnessed deep learning reinvigorating the machine learning field. It has solved many problems in the domains of computer vision, speech recognition, natural language processing, and various other tasks…

Machine Learning · Computer Science 2021-09-09 Lilapati Waikhom , Ripon Patgiri

Driven by the need to accelerate numerical simulations, the use of machine learning techniques is rapidly growing in the field of computational solid mechanics. Their application is especially advantageous in concurrent multiscale finite…

Numerical Analysis · Mathematics 2023-03-22 M. A. Maia , I. B. C. M. Rocha , P. Kerfriden , F. P. van der Meer

Breast compression simulation is essential for accurate image registration from 3D modalities to X-ray procedures like mammography. It accounts for tissue shape and position changes due to compression, ensuring precise alignment and…

Computer Vision and Pattern Recognition · Computer Science 2024-11-12 Hadeel Awwad , Eloy García , Robert Martí

In this work, we provide a new formulation for Graph Convolutional Neural Networks (GCNNs) for link prediction on graph data that addresses common challenges for biomedical knowledge graphs (KGs). We introduce a regularized attention…

Machine Learning · Computer Science 2018-12-04 Daniel Neil , Joss Briody , Alix Lacoste , Aaron Sim , Paidi Creed , Amir Saffari

This paper presents an innovative method for predicting shape errors in 5-axis machining using graph neural networks. The graph structure is defined with nodes representing workpiece surface points and edges denoting the neighboring…

Systems and Control · Electrical Eng. & Systems 2024-12-20 Julia Huuk , Abheek Dhingra , Eirini Ntoutsi , Berend Denkena

Graphs are ubiquitous in modelling relational structures. Recent endeavours in machine learning for graph-structured data have led to many architectures and learning algorithms. However, the graph used by these algorithms is often…

Machine Learning · Statistics 2020-06-25 Soumyasundar Pal , Saber Malekmohammadi , Florence Regol , Yingxue Zhang , Yishi Xu , Mark Coates

In recent years, deep learning based methods have shown success in essential medical image analysis tasks such as segmentation. Post-processing and refining the results of segmentation is a common practice to decrease the misclassifications…

Image and Video Processing · Electrical Eng. & Systems 2021-08-29 Ufuk Demir , Atahan Ozer , Yusuf H. Sahin , Gozde Unal

Graph neural networks (GNNs) are a popular class of parametric model for learning over graph-structured data. Recent work has argued that GNNs primarily use the graph for feature smoothing, and have shown competitive results on benchmark…

Machine Learning · Computer Science 2020-11-20 Lingfan Yu , Jiajun Shen , Jinyang Li , Adam Lerer

Parameter estimation in structural dynamics generally involves inferring the values of physical, geometric, or even customized parameters based on first principles or expert knowledge, which is challenging for complex structural systems. In…

Computational Engineering, Finance, and Science · Computer Science 2025-04-08 Mingyuan Zhou , Haoze Song , Wenjing Ye , Wei Wang , Zhilu Lai

This paper presents a framework designed to tackle a range of planning problems arise in manipulation, which typically involve complex geometric-physical reasoning related to contact and dynamic constraints. We introduce the Contact Factor…

Robotics · Computer Science 2025-03-11 Jeongmin Lee , Sunkyung Park , Minji Lee , Dongjun Lee

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…

In Bayesian inverse problems, surrogate models are often constructed to speed up the computational procedure, as the parameter-to-data map can be very expensive to evaluate. However, due to the curse of dimensionality and the nonlinear…

Numerical Analysis · Mathematics 2020-03-03 Liang Yan , Tao Zhou

In this paper we introduce a novel way of estimating prediction uncertainty in deep networks through the use of uncertainty surrogates. These surrogates are features of the penultimate layer of a deep network that are forced to match…

Machine Learning · Computer Science 2021-04-19 Radhakrishna Achanta , Natasa Tagasovska

Graph Neural Networks (GNNs) have made significant advances on several fundamental inference tasks. As a result, there is a surge of interest in using these models for making potentially important decisions in high-regret applications.…

Machine Learning · Computer Science 2020-02-26 Kaidi Xu , Sijia Liu , Pin-Yu Chen , Mengshu Sun , Caiwen Ding , Bhavya Kailkhura , Xue Lin
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