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相关论文: Graph Neural Network Modeling of Grain-scale Aniso…

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The era of data deluge has sparked the interest in graph-based learning methods in a number of disciplines such as sociology, biology, neuroscience, or engineering. In this paper, we introduce a graph recurrent neural network (GRNN) for…

机器学习 · 计算机科学 2019-02-19 Vassilis N. Ioannidis , Antonio G. Marques , Georgios B. Giannakis

Although a number of studies have explored deep learning in neuroscience, the application of these algorithms to neural systems on a microscopic scale, i.e. parameters relevant to lower scales of organization, remains relatively novel.…

机器学习 · 计算机科学 2020-10-20 Paul Y. Wang , Sandalika Sapra , Vivek Kurien George , Gabriel A. Silva

Graph neural networks (GNNs) have been extensively studied for prediction tasks on graphs. As pointed out by recent studies, most GNNs assume local homophily, i.e., strong similarities in local neighborhoods. This assumption however limits…

机器学习 · 计算机科学 2021-10-04 Sean Li , Dongwoo Kim , Qing Wang

Graph Neural Networks (GNNs) are versatile, powerful machine learning methods that enable graph structure and feature representation learning, and have applications across many domains. For applications critically requiring interpretation,…

机器学习 · 计算机科学 2020-07-02 Chris Lin , Gerald J. Sun , Krishna C. Bulusu , Jonathan R. Dry , Marylens Hernandez

Graph neural networks (GNN) have been shown to provide substantial performance improvements for atomistic material representation and modeling compared with descriptor-based machine learning models. While most existing GNN models for…

材料科学 · 物理学 2022-04-08 Kamal Choudhary , Brian DeCost

Metallic Glasses (MGs) are widely used materials that are stronger than steel while being shapeable as plastic. While understanding the structure-property relationship of MGs remains a challenge in materials science, studying their energy…

无序系统与神经网络 · 物理学 2024-09-05 Haoyu Li , Shichang Zhang , Longwen Tang , Mathieu Bauchy , Yizhou Sun

We propose an adaptive graph coarsening method to jointly learn graph neural network (GNN) parameters and merge nodes via K-means clustering during training. As real-world graphs grow larger, processing them directly becomes increasingly…

机器学习 · 计算机科学 2025-10-01 Rostyslav Olshevskyi , Madeline Navarro , Santiago Segarra

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…

计算机视觉与模式识别 · 计算机科学 2024-02-07 Mahdi Saleh , Michael Sommersperger , Nassir Navab , Federico Tombari

Background: Accumulation of abnormal contact stress is a primary biomechanical driver of acute meniscal tears and chronic osteoarthritis. While Finite Element Analysis (FEA) provides the necessary fidelity to quantify these injury-inducing…

定量方法 · 定量生物学 2025-12-16 Zhengye Pan , Jianwei Zuo , Jiajia Luo

Machine learning surrogate models have emerged as a promising approach for accelerating multiscale materials simulations while preserving predictive fidelity. Among them, the Orientation-aware Interaction-based Deep Material Network (ODMN)…

计算工程、金融与科学 · 计算机科学 2026-04-09 Ting-Ju Wei , Tung-Huan Su , Chuin-Shan Chen

Graph Neural Networks (GNN) have recently gained popularity in the forecasting domain due to their ability to model complex spatial and temporal patterns in tasks such as traffic forecasting and region-based demand forecasting. Most of…

机器学习 · 计算机科学 2023-12-08 Abishek Sriramulu , Nicolas Fourrier , Christoph Bergmeir

Graph Neural Networks (GNNs) set the state-of-the-art in representation learning for graph-structured data. They are used in many domains, from online social networks to complex molecules. Most GNNs leverage the message-passing paradigm and…

机器学习 · 计算机科学 2025-03-06 Tuğrul Hasan Karabulut , İnci M. Baytaş

Graph neural networks (GNN) have emerged as a promising machine learning method for microstructure simulations such as grain growth. However, accurate modeling of realistic grain boundary networks requires large simulation cells, which GNN…

机器学习 · 计算机科学 2026-03-24 Zhihui Tian , Ethan Suwandi , Tomas Oppelstrup , Vasily V. Bulatov , Joel B. Harley , Fei Zhou

The spread of machine learning techniques coupled with the availability of high-quality experimental and numerical data has significantly advanced numerous applications in fluid mechanics. Notable among these are the development of data…

Despite the recent success of graph neural networks (GNN), common architectures often exhibit significant limitations, including sensitivity to oversmoothing, long-range dependencies, and spurious edges, e.g., as can occur as a result of…

机器学习 · 计算机科学 2021-12-06 Yongyi Yang , Tang Liu , Yangkun Wang , Jinjing Zhou , Quan Gan , Zhewei Wei , Zheng Zhang , Zengfeng Huang , David Wipf

Atomistic materials modeling is a critical task with wide-ranging applications, from drug discovery to materials science, where accurate predictions of the target material property can lead to significant advancements in scientific…

Devising and analyzing learning models for spatiotemporal network data is of importance for tasks including forecasting, anomaly detection, and multi-agent coordination, among others. Graph Convolutional Neural Networks (GCNNs) are an…

机器学习 · 计算机科学 2022-07-01 Mohammad Sabbaqi , Elvin Isufi

Comprehending the interplay between spatial and temporal characteristics of neural dynamics can contribute to our understanding of information processing in the human brain. Graph neural networks (GNNs) provide a new possibility to…

神经元与认知 · 定量生物学 2022-04-29 Simon Wein , Alina Schüller , Ana Maria Tomé , Wilhelm M. Malloni , Mark W. Greenlee , Elmar W. Lang

Graph Neural Networks (GNN) can capture the geometric properties of neural representations in EEG data. Here we utilise those to study how reinforcement-based motor learning affects neural activity patterns during motor planning, leveraging…

机器学习 · 计算机科学 2024-11-01 Federico Nardi , Jinpei Han , Shlomi Haar , A. Aldo Faisal

Finite element simulations of large-deformation sheet material forming involve node-element coupling between nodal kinematics and element-level deformation measures. Machine-learning surrogates can accelerate such simulations, but most…

计算工程、金融与科学 · 计算机科学 2026-05-25 Yingxue Zhao , Haoran Li , Haosu Zhou , Tobias Pfaff , Nan Li