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We present the Generalized Spatial Propagation Network (GSPN), a new attention mechanism optimized for vision tasks that inherently captures 2D spatial structures. Existing attention models, including transformers, linear attention, and…

计算机视觉与模式识别 · 计算机科学 2025-01-22 Hongjun Wang , Wonmin Byeon , Jiarui Xu , Jinwei Gu , Ka Chun Cheung , Xiaolong Wang , Kai Han , Jan Kautz , Sifei Liu

Predicting stochastic spreading processes on complex networks is critical in epidemic control, opinion propagation, and viral marketing. We focus on the problem of inferring the time-dependent marginal probabilities of states for each node…

社会与信息网络 · 计算机科学 2022-02-15 Fei Gao , Yan Zhang , Jiang Zhang

Learning the physical simulation on large-scale meshes with flat Graph Neural Networks (GNNs) and stacking Message Passings (MPs) is challenging due to the scaling complexity w.r.t. the number of nodes and over-smoothing. There has been…

机器学习 · 计算机科学 2026-05-27 Yadi Cao , Menglei Chai , Minchen Li , Chenfanfu Jiang

Computational simulation of chemical and biological systems using ab initio molecular dynamics has been a challenge over decades. Researchers have attempted to address the problem with machine learning and fragmentation-based methods.…

化学物理 · 物理学 2024-07-16 Yunyang Li , Yusong Wang , Lin Huang , Han Yang , Xinran Wei , Jia Zhang , Tong Wang , Zun Wang , Bin Shao , Tie-Yan Liu

Data-driven learning of physical systems has kindled significant attention, where many neural models have been developed. In particular, mesh-based graph neural networks (GNNs) have demonstrated significant potential in modeling…

机器学习 · 计算机科学 2025-10-08 Yuan Mi , Qi Wang , Xueqin Hu , Yike Guo , Ji-Rong Wen , Yang Liu , Hao Sun

Mesh-based Graph Neural Networks (GNNs) have recently shown capabilities to simulate complex multiphysics problems with accelerated performance times. However, mesh-based GNNs require a large number of message-passing (MP) steps and suffer…

计算工程、金融与科学 · 计算机科学 2024-02-15 Roberto Perera , Vinamra Agrawal

Deep learning-based approaches, particularly graph neural networks (GNNs), have gained prominence in simulating flexible deformations and contacts of solids, due to their ability to handle unstructured physical fields and nonlinear…

机器学习 · 计算机科学 2026-04-07 Zhe Feng , Shilong Tao , Haonan Sun , Shaohan Chen , Zhanxing Zhu , Yunhuai Liu

Graph Neural Networks (GNNs) have proven to be highly effective in various graph learning tasks. A key characteristic of GNNs is their use of a fixed number of message-passing steps for all nodes in the graph, regardless of each node's…

Graph Neural Networks (GNNs) are the subject of intense focus by the machine learning community for problems involving relational reasoning. GNNs can be broadly divided into spatial and spectral approaches. Spatial approaches use a form of…

机器学习 · 统计学 2021-01-05 Kimberly Stachenfeld , Jonathan Godwin , Peter Battaglia

In recent studies, neural message passing has proved to be an effective way to design graph neural networks (GNNs), which have achieved state-of-the-art performance in many graph-based tasks. However, current neural-message passing…

机器学习 · 计算机科学 2021-04-21 Wentao Zhang , Yu Shen , Zheyu Lin , Yang Li , Xiaosen Li , Wen Ouyang , Yangyu Tao , Zhi Yang , Bin Cui

Graph neural networks (GNNs) have become pivotal tools for processing graph-structured data, leveraging the message passing scheme as their core mechanism. However, traditional GNNs often grapple with issues such as instability,…

谱理论 · 数学 2026-05-20 Yuanhong Jiang , Dongmian Zou , Xiaoqun Zhang , Yu Guang Wang

By conceiving physical systems as 3D many-body point clouds, geometric graph neural networks (GNNs), such as SE(3)/E(3) equivalent GNNs, have showcased promising performance. In particular, their effective message-passing mechanics make…

机器学习 · 计算机科学 2024-01-30 Weitao Du , Shengchao Liu , Xuecang Zhang

Garment simulation is fundamental to various applications in computer vision and graphics, from virtual try-on to digital human modelling. However, conventional physics-based methods remain computationally expensive, hindering their…

计算机视觉与模式识别 · 计算机科学 2026-01-22 Aoran Liu , Kun Hu , Clinton Ansun Mo , Qiuxia Wu , Wenxiong Kang , Zhiyong Wang

With the increasing use of Graph Neural Networks (GNNs) in critical real-world applications, several post hoc explanation methods have been proposed to understand their predictions. However, there has been no work in generating explanations…

机器学习 · 计算机科学 2022-12-02 Valentina Giunchiglia , Chirag Varun Shukla , Guadalupe Gonzalez , Chirag Agarwal

Simulating physics using Graph Neural Networks (GNNs) is predominantly driven by message-passing architectures, which face challenges in scaling and efficiency, particularly in handling large, complex meshes. These architectures have…

机器学习 · 计算机科学 2025-08-26 Paul Garnier , Vincent Lannelongue , Jonathan Viquerat , Elie Hachem

We propose Scalable Message Passing Neural Networks (SMPNNs) and demonstrate that, by integrating standard convolutional message passing into a Pre-Layer Normalization Transformer-style block instead of attention, we can produce…

We present GeGnn, a learning-based method for computing the approximate geodesic distance between two arbitrary points on discrete polyhedra surfaces with constant time complexity after fast precomputation. Previous relevant methods either…

计算机视觉与模式识别 · 计算机科学 2023-10-05 Bo Pang , Zhongtian Zheng , Guoping Wang , Peng-Shuai Wang

Graph Neural Networks (GNNs) are a computationally efficient method to learn embeddings and classifications on graph data. However, GNN training has low computational intensity, making communication costs the bottleneck for scalability.…

机器学习 · 计算机科学 2025-04-08 Ujjaini Mukhodopadhyay , Alok Tripathy , Oguz Selvitopi , Katherine Yelick , Aydin Buluc

Solving partial differential equations (PDEs) serves as a cornerstone for modeling complex dynamical systems. Recent progresses have demonstrated grand benefits of data-driven neural-based models for predicting spatiotemporal dynamics…

机器学习 · 计算机科学 2025-03-04 Bocheng Zeng , Qi Wang , Mengtao Yan , Yang Liu , Ruizhi Chengze , Yi Zhang , Hongsheng Liu , Zidong Wang , Hao Sun

For embodied agents to infer representations of the underlying 3D physical world they inhabit, they should efficiently combine multisensory cues from numerous trials, e.g., by looking at and touching objects. Despite its importance,…

机器学习 · 计算机科学 2019-11-11 Jae Hyun Lim , Pedro O. Pinheiro , Negar Rostamzadeh , Christopher Pal , Sungjin Ahn
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