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Mammography images are widely used to detect non-palpable breast lesions or nodules, preventing cancer and providing the opportunity to plan interventions when necessary. The identification of some structures of interest is essential to…

Image and Video Processing · Electrical Eng. & Systems 2023-07-21 Cesar A. Sierra-Franco , Jan Hurtado , Victor de A. Thomaz , Leonardo C. da Cruz , Santiago V. Silva , Alberto B. Raposo

Recent advances in applying Graph Neural Networks (GNNs) to molecular science have showcased the power of learning three-dimensional (3D) structure representations with GNNs. However, most existing GNNs suffer from the limitations of…

Biomolecules · Quantitative Biology 2023-11-21 Shuo Zhang , Yang Liu , Lei Xie

Physical simulations that accurately model reality are crucial for many engineering disciplines such as mechanical engineering and robotic motion planning. In recent years, learned Graph Network Simulators produced accurate mesh-based…

Machine Learning · Computer Science 2023-03-08 Jonas Linkerhägner , Niklas Freymuth , Paul Maria Scheikl , Franziska Mathis-Ullrich , Gerhard Neumann

Graph neural networks (GNNs) are becoming increasingly popular in the medical domain for the tasks of disease classification and outcome prediction. Since patient data is not readily available as a graph, most existing methods either…

Computer Vision and Pattern Recognition · Computer Science 2023-10-05 Nithya Bhasker , Stefan Leger , Alexander Zwanenburg , Chethan Babu Reddy , Sebastian Bodenstedt , Steffen Löck , Stefanie Speidel

Large-eddy simulations (LES) require closures for filtered production rates because the resolved fields do not contain all correlations that govern chemical source terms. We develop a graph neural network (GNN) that predicts filtered…

Fluid Dynamics · Physics 2026-03-23 Priyabrat Dash , Mathis Bode , Konduri Aditya

Molecular Dynamics (MD) simulation is a powerful tool for understanding the dynamics and structure of matter. Since the resolution of MD is atomic-scale, achieving long time-scale simulations with femtosecond integration is very expensive.…

Machine Learning · Computer Science 2022-04-27 Zijie Li , Kazem Meidani , Prakarsh Yadav , Amir Barati Farimani

In recent years, we have witnessed a surge of Graph Neural Networks (GNNs), most of which can learn powerful representations in an end-to-end fashion with great success in many real-world applications. They have resemblance to Probabilistic…

Machine Learning · Computer Science 2023-08-03 Zhen Zhang , Mohammed Haroon Dupty , Fan Wu , Javen Qinfeng Shi , Wee Sun Lee

We present a geometry-aware method for heterogeneous single-particle cryogenic electron microscopy (cryo-EM) reconstruction that predicts atomic backbone conformations. To incorporate protein-structure priors, we represent the backbone as a…

Computer Vision and Pattern Recognition · Computer Science 2026-03-09 Jonathan Krook , Axel Janson , Joakim Andén , Melanie Weber , Ozan Öktem

Recently, graph neural networks have been gaining a lot of attention to simulate dynamical systems due to their inductive nature leading to zero-shot generalizability. Similarly, physics-informed inductive biases in deep-learning frameworks…

Machine Learning · Computer Science 2023-02-03 Abishek Thangamuthu , Gunjan Kumar , Suresh Bishnoi , Ravinder Bhattoo , N M Anoop Krishnan , Sayan Ranu

This work proposes a Graph Neural Network (GNN) modeling approach to predict the resulting surface from a particle based fabrication process. The latter consists of spray-based printing of cementitious plaster on a wall and is facilitated…

Computational Engineering, Finance, and Science · Computer Science 2025-04-01 Diego Machain Rivera , Selen Ercan Jenny , Ping Hsun Tsai , Ena Lloret-Fritschi , Luis Salamanca , Fernando Perez-Cruz , Konstantinos E. Tatsis

Spatio-temporal signals forecasting plays an important role in numerous domains, especially in neuroscience and transportation. The task is challenging due to the highly intricate spatial structure, as well as the non-linear temporal…

Machine Learning · Computer Science 2023-10-31 Duc Thien Nguyen , Manh Duc Tuan Nguyen , Truong Son Hy , Risi Kondor

The growing importance of real-time simulation in the medical field has exposed the limitations and bottlenecks inherent in the digital representation of complex biological systems. This paper presents a novel methodology aimed at advancing…

Machine Learning · Computer Science 2024-12-17 Lucas Tesán , David González , Pedro Martins , Elías Cueto

Accurate yet efficient surrogate models are essential for large-scale simulations of partial differential equations (PDEs), particularly for uncertainty quantification (UQ) tasks that demand hundreds or thousands of evaluations. We develop…

Accurate bearing load monitoring is essential for their Prognostics and Health Management (PHM), enabling damage assessment, wear prediction, and proactive maintenance. While bearing sensors are typically placed on the bearing housing,…

Machine Learning · Computer Science 2025-03-07 Mengjie Zhao , Cees Taal , Stephan Baggerohr , Olga Fink

We present a learning algorithm that uses bone-driven motion networks to predict the deformation of loose-fitting garment meshes at interactive rates. Given a garment, we generate a simulation database and extract virtual bones from…

Convolutional neural networks (CNNs) have massively impacted visual recognition in 2D images, and are now ubiquitous in state-of-the-art approaches. CNNs do not easily extend, however, to data that are not represented by regular grids, such…

Computer Vision and Pattern Recognition · Computer Science 2018-03-29 Nitika Verma , Edmond Boyer , Jakob Verbeek

Vast amount of data generated from networks of sensors, wearables, and the Internet of Things (IoT) devices underscores the need for advanced modeling techniques that leverage the spatio-temporal structure of decentralized data due to the…

Machine Learning · Computer Science 2021-06-10 Chuizheng Meng , Sirisha Rambhatla , Yan Liu

Accurate and efficient physical simulations are essential in science and engineering, yet traditional numerical solvers face significant challenges in computational cost when handling simulations across dynamic scenarios involving complex…

Computational Engineering, Finance, and Science · Computer Science 2025-12-12 Pengwei Liu , Xingyu Ren , Pengkai Wang , Hangjie Yuan , Zhongkai Hao , Guanyu Chen , Chao Xu , Dong Ni , Shengze Cai

Graph neural networks (GNNs) have been regarded as the basic model to facilitate deep learning (DL) to revolutionize resource allocation in wireless networks. GNN-based models are shown to be able to learn the structural information about…

Signal Processing · Electrical Eng. & Systems 2024-09-06 Yang Lu , Yuhang Li , Ruichen Zhang , Wei Chen , Bo Ai , Dusit Niyato

Since loose-fitting clothing contains dynamic modes that have proven to be difficult to predict via neural networks, we first illustrate how to coarsely approximate these modes with a real-time numerical algorithm specifically designed to…

Graphics · Computer Science 2024-04-29 Yongxu Jin , Dalton Omens , Zhenglin Geng , Joseph Teran , Abishek Kumar , Kenji Tashiro , Ronald Fedkiw
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