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The quality of graph-structured data is fundamental to the success of modern graph analysis techniques such as Graph Neural Networks (GNNs). However, real-world graph data is often suboptimal, suffering from issues such as noise and…

机器学习 · 计算机科学 2026-05-19 Shen Han , Zhiyao Zhou , Jiawei Chen , Sheng Zhou , Canghong Jin , Hai Lin , Da Zhong Li , Bingde Hu , Can Wang

Graph neural networks (GNNs) are widely used for learning node embeddings in graphs, typically adopting a message-passing scheme. This approach, however, leads to the neighbor explosion problem, with exponentially growing computational and…

机器学习 · 计算机科学 2025-07-08 Zichao Yue , Chenhui Deng , Zhiru Zhang

Robots benefit from high-fidelity reconstructions of their environment, which should be geometrically accurate and photorealistic to support downstream tasks. While this can be achieved by building distance fields from range sensors and…

机器人学 · 计算机科学 2025-09-10 Yue Pan , Xingguang Zhong , Liren Jin , Louis Wiesmann , Marija Popović , Jens Behley , Cyrill Stachniss

Message-passing neural networks (MPNNs) have been successfully applied to representation learning on graphs in a variety of real-world applications. However, two fundamental weaknesses of MPNNs' aggregators limit their ability to represent…

机器学习 · 计算机科学 2020-02-17 Hongbin Pei , Bingzhe Wei , Kevin Chen-Chuan Chang , Yu Lei , Bo Yang

Graph neural networks (GNNs) have been applied into a variety of graph tasks. Most existing work of GNNs is based on the assumption that the given graph data is optimal, while it is inevitable that there exists missing or incomplete edges…

机器学习 · 计算机科学 2022-05-13 Qianggang Ding , Deheng Ye , Tingyang Xu , Peilin Zhao

Incorporating inductive biases into ML models is an active area of ML research, especially when ML models are applied to data about the physical world. Equivariant Graph Neural Networks (GNNs) have recently become a popular method for…

机器学习 · 计算机科学 2023-11-07 Savannah Thais , Daniel Murnane

In machine learning for fluid mechanics, fully-connected neural network (FNN) only uses the local features for modelling, while the convolutional neural network (CNN) cannot be applied to data on structured/unstructured mesh. In order to…

流体动力学 · 物理学 2021-01-14 Mengfei Xu , Shufang Song , Xuxiang Sun , Weiwei Zhang

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.…

机器学习 · 计算机科学 2022-04-27 Zijie Li , Kazem Meidani , Prakarsh Yadav , Amir Barati Farimani

Graph Neural Networks (GNNs) have shown exceptional success in graph representation learning and a wide range of real-world applications. However, scaling deeper GNNs poses challenges due to the neighbor explosion problem when training on…

机器学习 · 计算机科学 2025-11-18 Rui Xue

High-fidelity fracture mechanics simulations of multiple microcracks interaction via physics-based models quickly become computationally expensive as the number of microcracks increases. This work develops a Graph Neural Network (GNN) based…

材料科学 · 物理学 2022-05-12 Roberto Perera , Davide Guzzetti , Vinamra Agrawal

Graph Neural Networks (GNNs) have emerged as powerful tools for learning representations from structured data. Despite their growing popularity and success across various applications, GNNs encounter several challenges that limit their…

机器学习 · 计算机科学 2026-02-03 Yassine Abbahaddou

Polygonal meshes are ubiquitous in the digital 3D domain, yet they have only played a minor role in the deep learning revolution. Leading methods for learning generative models of shapes rely on implicit functions, and generate meshes only…

计算机视觉与模式识别 · 计算机科学 2020-12-09 Zhiqin Chen , Andrea Tagliasacchi , Hao Zhang

Immersed boundary methods are extensively used for simulations of dynamic solid objects interacting with fluids due to their computational efficiency and modelling flexibility compared to body-fitted grid methods. However, thin geometries,…

流体动力学 · 物理学 2022-03-14 Marin Lauber , Gabriel D. Weymouth , Georges Limbert

The inference and training stages of Graph Neural Networks (GNNs) are often dominated by the time required to compute a long sequence of matrix multiplications between the sparse graph adjacency matrix and its embedding. To accelerate these…

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…

图形学 · 计算机科学 2024-04-29 Yongxu Jin , Dalton Omens , Zhenglin Geng , Joseph Teran , Abishek Kumar , Kenji Tashiro , Ronald Fedkiw

Goal-conditioned rearrangement of deformable objects (e.g. straightening a rope and folding a cloth) is one of the most common deformable manipulation tasks, where the robot needs to rearrange a deformable object into a prescribed goal…

机器人学 · 计算机科学 2023-10-17 Yuhong Deng , Xueqian Wang , Lipeng chen

Implicit Neural Representations (INRs), characterized by neural network-encoded signed distance fields, provide a powerful means to represent complex geometries continuously and efficiently. While successful in computer vision and…

计算工程、金融与科学 · 计算机科学 2025-07-09 Samundra Karki , Ming-Chen Hsu , Adarsh Krishnamurthy , Baskar Ganapathysubramanian

Molecular dynamics (MD) simulations enable the study of the motion of small and large (bio)molecules and the estimation of their conformational ensembles. The description of the environment (solvent) has thereby a large impact. Implicit…

化学物理 · 物理学 2023-05-25 Paul Katzberger , Sereina Riniker

Despite recent progress on semantic segmentation, there still exist huge challenges in medical ultra-resolution image segmentation. The methods based on multi-branch structure can make a good balance between computational burdens and…

计算机视觉与模式识别 · 计算机科学 2020-02-20 Tong Wu , Yuan Xie , Yanyun Qu , Bicheng Dai , Shuxin Chen

Graph neural networks have been widely used on modeling graph data, achieving impressive results on node classification and link prediction tasks. Yet, obtaining an accurate representation for a graph further requires a pooling function…

机器学习 · 计算机科学 2021-06-29 Jinheon Baek , Minki Kang , Sung Ju Hwang
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