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Message passing neural networks (MPNNs) have emerged as go-to models for learning on graph-structured data in the past decade. Despite their effectiveness, most of such models still incur severe issues such as over-smoothing and…

机器学习 · 计算机科学 2025-11-26 Haoran Zheng , Renchi Yang , Yubo Zhou , Jianliang Xu

In CFD, mesh smoothing methods are commonly utilized to refine the mesh quality to achieve high-precision numerical simulations. Specifically, optimization-based smoothing is used for high-quality mesh smoothing, but it incurs significant…

计算机视觉与模式识别 · 计算机科学 2024-04-17 Zhichao Wang , Xinhai Chen , Junjun Yan , Jie Liu

We address the problem of accelerating thin-shell deformable object simulations by dimension reduction. We present a new algorithm to embed a high-dimensional configuration space of deformable objects in a low-dimensional feature space,…

图形学 · 计算机科学 2020-03-02 Qingyang Tan , Zherong Pan , Lin Gao , Dinesh Manocha

Diffusion generative models have emerged as a powerful framework for addressing problems in structural biology and structure-based drug design. These models operate directly on 3D molecular structures. Due to the unfavorable scaling of…

生物大分子 · 定量生物学 2024-05-10 Ian Dunn , David Ryan Koes

In recent years, Graph Neural Networks (GNNs) have achieved remarkable success in many graph mining tasks. However, scaling them to large graphs is challenging due to the high computational and storage costs of repeated feature propagation…

机器学习 · 计算机科学 2025-04-11 Yuxuan Liang , Wentao Zhang , Zeang Sheng , Ling Yang , Quanqing Xu , Jiawei Jiang , Yunhai Tong , Bin Cui

3D models are widely used in various industries, and mesh data has become an indispensable part of 3D modeling because of its unique advantages. Mesh data can provide an intuitive and practical expression of rich 3D information. However,…

计算机视觉与模式识别 · 计算机科学 2025-03-05 Ling Gao , Zhenyu Shu , Shiqing Xin

Graph Neural Networks (GNNs) have shown great power in various domains. However, their predictions may inherit societal biases on sensitive attributes, limiting their adoption in real-world applications. Although many efforts have been…

机器学习 · 计算机科学 2023-06-21 Huaisheng Zhu , Guoji Fu , Zhimeng Guo , Zhiwei Zhang , Teng Xiao , Suhang Wang

Message passing plays a vital role in graph neural networks (GNNs) for effective feature learning. However, the over-reliance on input topology diminishes the efficacy of message passing and restricts the ability of GNNs. Despite efforts to…

机器学习 · 计算机科学 2024-12-03 Junshu Sun , Chenxue Yang , Xiangyang Ji , Qingming Huang , Shuhui Wang

Graph similarity computation (GSC) aims to quantify the similarity score between two graphs. Although recent GSC methods based on graph neural networks (GNNs) take advantage of intra-graph structures in message passing, few of them fully…

机器学习 · 计算机科学 2024-11-07 Wenjun Wang , Jiacheng Lu , Kejia Chen , Zheng Liu , Shilong Sang

Implicit Graph Neural Networks (GNNs) have achieved significant success in addressing graph learning problems recently. However, poorly designed implicit GNN layers may have limited adaptability to learn graph metrics, experience…

机器学习 · 计算机科学 2024-02-16 Guoji Fu , Mohammed Haroon Dupty , Yanfei Dong , Lee Wee Sun

The growth of large language models (LLMs) increases challenges of accelerating distributed training across multiple GPUs in different data centers. Moreover, concerns about data privacy and data exhaustion have heightened interest in…

分布式、并行与集群计算 · 计算机科学 2025-02-18 Zhenheng Tang , Zichen Tang , Junlin Huang , Xinglin Pan , Rudan Yan , Yuxin Wang , Amelie Chi Zhou , Shaohuai Shi , Xiaowen Chu , Bo Li

Methods that synthesize indoor 3D scenes from text prompts have wide-ranging applications in film production, interior design, video games, virtual reality, and synthetic data generation for training embodied agents. Existing approaches…

计算机视觉与模式识别 · 计算机科学 2025-11-20 Antonio Ruiz , Tao Wu , Andrew Melnik , Qing Cheng , Xuqin Wang , Lu Liu , Yongliang Wang , Yanfeng Zhang , Helge Ritter

Neural networks in general, from MLPs and CNNs to attention-based Transformers, are constructed from layers of linear combinations followed by nonlinear operations such as ReLU, Sigmoid, or Softmax. Despite their strength, these…

机器学习 · 计算机科学 2025-10-09 Weiguo Lu , Gangnan Yuan , Hong-kun Zhang , Shangyang Li

We propose Dynamically Pruned Message Passing Networks (DPMPN) for large-scale knowledge graph reasoning. In contrast to existing models, embedding-based or path-based, we learn an input-dependent subgraph to explicitly model reasoning…

人工智能 · 计算机科学 2020-04-09 Xiaoran Xu , Wei Feng , Yunsheng Jiang , Xiaohui Xie , Zhiqing Sun , Zhi-Hong Deng

We propose Geometric Neural Parametric Models (GNPM), a learned parametric model that takes into account the local structure of data to learn disentangled shape and pose latent spaces of 4D dynamics, using a geometric-aware architecture on…

计算机视觉与模式识别 · 计算机科学 2022-09-23 Mirgahney Mohamed , Lourdes Agapito

Approximate Message Passing (AMP) algorithms enable precise characterization of certain classes of random objects in the high-dimensional limit, and have found widespread applications in fields such as signal processing, statistics, and…

统计理论 · 数学 2025-07-01 Longlin Wang , Yanke Song , Kuanhao Jiang , Pragya Sur

Mesh-based simulations are central to modeling complex physical systems in many disciplines across science and engineering. Mesh representations support powerful numerical integration methods and their resolution can be adapted to strike…

机器学习 · 计算机科学 2021-06-21 Tobias Pfaff , Meire Fortunato , Alvaro Sanchez-Gonzalez , Peter W. Battaglia

Rich and complex time-series data, such as those generated from engineering systems, financial markets, videos or neural recordings, are now a common feature of modern data analysis. Explaining the phenomena underlying these diverse data…

机器学习 · 统计学 2016-08-18 Marc Peter Deisenroth , Shakir Mohamed

We present MeshGraphNet-Transformer (MGN-T), a novel architecture that combines the global modeling capabilities of Transformers with the geometric inductive bias of MeshGraphNets, while preserving a mesh-based graph representation. MGN-T…

机器学习 · 计算机科学 2026-02-06 Mikel M. Iparraguirre , Iciar Alfaro , David Gonzalez , Elias Cueto

Most Graph Neural Networks (GNNs) propagate messages by treating node embeddings as holistic feature vectors, implicitly assuming uniform relevance across feature dimensions. This limits their ability to selectively transmit informative…

机器学习 · 计算机科学 2025-12-24 Longlong Li , Mengyang Zhao , Guanghui Wang , Cunquan Qu