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Graph embedding, aiming to learn low-dimensional representations (aka. embeddings) of nodes, has received significant attention recently. Recent years have witnessed a surge of efforts made on static graphs, among which Graph Convolutional…

机器学习 · 计算机科学 2021-04-08 Zeyu Cui , Zekun Li , Shu Wu , Xiaoyu Zhang , Qiang Liu , Liang Wang , Mengmeng Ai

3D meshes are fundamental data representations for capturing complex geometric shapes in computer vision and graphics applications. While Convolutional Neural Networks (CNNs) have excelled in structured data like images, extending them to…

图形学 · 计算机科学 2025-07-09 Saqib Nazir , Olivier Lézoray , Sébastien Bougleux

Graph neural networks are emerging as promising methods for modeling molecular graphs, in which nodes and edges correspond to atoms and chemical bonds, respectively. Recent studies show that when 3D molecular geometries, such as bond…

机器学习 · 计算机科学 2021-10-06 Zhao Xu , Youzhi Luo , Xuan Zhang , Xinyi Xu , Yaochen Xie , Meng Liu , Kaleb Dickerson , Cheng Deng , Maho Nakata , Shuiwang Ji

Hypergraph, an expressive structure with flexibility to model the higher-order correlations among entities, has recently attracted increasing attention from various research domains. Despite the success of Graph Neural Networks (GNNs) for…

机器学习 · 计算机科学 2021-05-04 Jing Huang , Jie Yang

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

3D semantic scene graphs (3DSSG) provide compact structured representations of environments by explicitly modeling objects, attributes, and relationships. While 3DSSGs have shown promise in robotics and embodied AI, many existing methods…

计算机视觉与模式识别 · 计算机科学 2025-09-16 Marian Renz , Felix Igelbrink , Martin Atzmueller

We study finite-sum nonlinear programs with localized variable coupling encoded by a (hyper)graph. We introduce a graph-compliant decomposition framework that brings message passing into continuous optimization in a rigorous, implementable,…

最优化与控制 · 数学 2026-01-19 Kuangyu Ding , Marie Maros , Gesualdo Scutari

Supervised learning on molecules has incredible potential to be useful in chemistry, drug discovery, and materials science. Luckily, several promising and closely related neural network models invariant to molecular symmetries have already…

机器学习 · 计算机科学 2017-06-14 Justin Gilmer , Samuel S. Schoenholz , Patrick F. Riley , Oriol Vinyals , George E. Dahl

Deep learning has proven to yield fast and accurate predictions of quantum-chemical properties to accelerate the discovery of novel molecules and materials. As an exhaustive exploration of the vast chemical space is still infeasible, we…

机器学习 · 统计学 2020-01-10 Niklas W. A. Gebauer , Michael Gastegger , Kristof T. Schütt

In the current deep learning based recommendation system, the embedding method is generally employed to complete the conversion from the high-dimensional sparse feature vector to the low-dimensional dense feature vector. However, as the…

信息检索 · 计算机科学 2021-08-10 Huimin Zhou , Qing Li , Yong Jiang , Rongwei Yang , Zhuyun Qi

Discovering constants of motion is meaningful in helping understand the dynamical systems, but inevitably needs proficient mathematical skills and keen analytical capabilities. With the prevalence of deep learning, methods employing neural…

机器学习 · 计算机科学 2025-04-15 Wenqi Fang , Chao Chen , Yongkui Yang , Zheng Wang

In knowledge graph completion (KGC), predicting triples involving emerging entities and/or relations, which are unseen when the KG embeddings are learned, has become a critical challenge. Subgraph reasoning with message passing is a…

人工智能 · 计算机科学 2023-01-02 Yuxia Geng , Jiaoyan Chen , Jeff Z. Pan , Mingyang Chen , Song Jiang , Wen Zhang , Huajun Chen

Robots operating in unstructured environments often require accurate and consistent object-level representations. This typically requires segmenting individual objects from the robot's surroundings. While recent large models such as Segment…

机器人学 · 计算机科学 2025-04-07 Haozhan Tang , Tianyi Zhang , Oliver Kroemer , Matthew Johnson-Roberson , Weiming Zhi

LIDAR semantic segmentation, which assigns a semantic label to each 3D point measured by the LIDAR, is becoming an essential task for many robotic applications such as autonomous driving. Fast and efficient semantic segmentation methods are…

计算机视觉与模式识别 · 计算机科学 2021-04-28 Iñigo Alonso , Luis Riazuelo , Luis Montesano , Ana C. Murillo

Online 3D multi-object tracking (MOT) has witnessed significant research interest in recent years, largely driven by demand from the autonomous systems community. However, 3D offline MOT is relatively less explored. Labeling 3D trajectory…

计算机视觉与模式识别 · 计算机科学 2022-05-17 Martin Buchner , Abhinav Valada

We present GPS++, a hybrid Message Passing Neural Network / Graph Transformer model for molecular property prediction. Our model integrates a well-tuned local message passing component and biased global attention with other key ideas from…

Molecular representation learning (MRL) has long been crucial in the fields of drug discovery and materials science, and it has made significant progress due to the development of natural language processing (NLP) and graph neural networks…

信息论 · 计算机科学 2023-05-25 Chen Gong , Yvon Maday

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…

计算机视觉与模式识别 · 计算机科学 2018-03-29 Nitika Verma , Edmond Boyer , Jakob Verbeek

Graph Neural Networks (GNNs) have shown remarkable success in learning from graph-structured data. However, their application to directed graphs (digraphs) presents unique challenges, primarily due to the inherent asymmetry in node…

机器学习 · 计算机科学 2025-05-16 Wei Zhuo , Han Yu , Guang Tan , Xiaoxiao Li

Deep neural networks face many problems in the field of hyperspectral image classification, lack of effective utilization of spatial spectral information, gradient disappearance and overfitting as the model depth increases. In order to…

计算机视觉与模式识别 · 计算机科学 2023-07-14 Guandong Li