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We propose an extension to the transformer neural network architecture for general-purpose graph learning by adding a dedicated pathway for pairwise structural information, called edge channels. The resultant framework - which we call…

机器学习 · 计算机科学 2022-06-06 Md Shamim Hussain , Mohammed J. Zaki , Dharmashankar Subramanian

A central challenge in computational catalysis is the identification of low-energy and chemically plausible adsorption configurations, as these directly affect adsorption energies, reaction pathways, and catalytic performance. Existing…

材料科学 · 物理学 2026-05-07 Yifan Li , Arravind Subramanian , Xiaoqing Liu , Qiujie Lyu , Sergey Kozlov , Lei Shen

Medical image segmentation remains particularly challenging for complex and low-contrast anatomical structures. In this paper, we introduce the U-Transformer network, which combines a U-shaped architecture for image segmentation with self-…

图像与视频处理 · 电气工程与系统科学 2021-03-15 Olivier Petit , Nicolas Thome , Clément Rambour , Luc Soler

Most AI-for-Materials research to date has focused on ideal crystals, whereas real-world materials inevitably contain defects that play a critical role in modern functional technologies. The defects break geometric symmetry and increase…

材料科学 · 物理学 2025-06-03 Ziduo Yang , Xiaoqing Liu , Xiuying Zhang , Pengru Huang , Kostya S. Novoselov , Lei Shen

Predicting physical properties of materials from their crystal structures is a fundamental problem in materials science. In peripheral areas such as the prediction of molecular properties, fully connected attention networks have been shown…

机器学习 · 计算机科学 2024-03-19 Tatsunori Taniai , Ryo Igarashi , Yuta Suzuki , Naoya Chiba , Kotaro Saito , Yoshitaka Ushiku , Kanta Ono

Point Transformers are near state-of-the-art models for classification, segmentation, and detection tasks on Point Cloud data. They utilize a self attention based mechanism to model large range spatial dependencies between multiple point…

计算机视觉与模式识别 · 计算机科学 2024-04-02 Kartik Gupta , Rahul Vippala , Sahima Srivastava

While convolutional neural networks have shown a tremendous impact on various computer vision tasks, they generally demonstrate limitations in explicitly modeling long-range dependencies due to the intrinsic locality of the convolution…

计算机视觉与模式识别 · 计算机科学 2021-08-06 Guanglei Yang , Hao Tang , Mingli Ding , Nicu Sebe , Elisa Ricci

Most existing learning-based point cloud descriptors for point cloud registration focus on perceiving local information of point clouds to generate distinctive features. However, a reasonable and broader receptive field is essential for…

计算机视觉与模式识别 · 计算机科学 2026-03-10 Wentao Qu , Xiaoshui Huang , Liang Xiao

Retentive Network (RetNet) represents a significant advancement in neural network architecture, offering an efficient alternative to the Transformer. While Transformers rely on self-attention to model dependencies, they suffer from high…

计算与语言 · 计算机科学 2025-06-10 Haiqi Yang , Zhiyuan Li , Yi Chang , Yuan Wu

Graph Neural Networks have rapidly advanced in materials science and chemistry,with their performance critically dependent on comprehensive representations of crystal or molecular structures across five dimensions: elemental information,…

材料科学 · 物理学 2025-09-09 Hongwei Du , Hong Wang

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

Development of human machine interface has become a necessity for modern day machines to catalyze more autonomy and more efficiency. Gaze driven human intervention is an effective and convenient option for creating an interface to alleviate…

计算机视觉与模式识别 · 计算机科学 2023-03-23 Somsukla Maiti , Akshansh Gupta

This paper proposes Omnidirectional Representations from Transformers (OmniNet). In OmniNet, instead of maintaining a strictly horizontal receptive field, each token is allowed to attend to all tokens in the entire network. This process can…

计算机视觉与模式识别 · 计算机科学 2021-03-02 Yi Tay , Mostafa Dehghani , Vamsi Aribandi , Jai Gupta , Philip Pham , Zhen Qin , Dara Bahri , Da-Cheng Juan , Donald Metzler

The encoder-decoder network is widely used to learn deep feature representations from pixel-wise annotations in biomedical image analysis. Under this structure, the performance profoundly relies on the effectiveness of feature extraction…

图像与视频处理 · 电气工程与系统科学 2021-01-12 Weinan Song , Yuan Liang , Jiawei Yang , Kun Wang , Lei He

Online continual learning for image classification is crucial for models to adapt to new data while retaining knowledge of previously learned tasks. This capability is essential to address real-world challenges involving dynamic…

计算机视觉与模式识别 · 计算机科学 2025-02-14 Adjovi Sim , Zhengkui Wang , Aik Beng Ng , Shalini De Mello , Simon See , Wonmin Byeon

Local and non-local attention-based methods have been well studied in various image restoration tasks while leading to promising performance. However, most of the existing methods solely focus on one type of attention mechanism (local or…

计算机视觉与模式识别 · 计算机科学 2021-03-11 Chong Mou , Jian Zhang , Xiaopeng Fan , Hangfan Liu , Ronggang Wang

Transformers have attracted increasing interests in computer vision, but they still fall behind state-of-the-art convolutional networks. In this work, we show that while Transformers tend to have larger model capacity, their generalization…

计算机视觉与模式识别 · 计算机科学 2021-09-16 Zihang Dai , Hanxiao Liu , Quoc V. Le , Mingxing Tan

The extension of convolutional neural networks (CNNs) to non-Euclidean geometries has led to multiple frameworks for studying manifolds. Many of those methods have shown design limitations resulting in poor modelling of long-range…

Non-local operations are usually used to capture long-range dependencies via aggregating global context to each position recently. However, most of the methods cannot preserve object shapes since they only focus on feature similarity but…

计算机视觉与模式识别 · 计算机科学 2020-12-18 Pengju Zhang , Yihong Wu , Jiagang Zhu

This paper presents SO-Net, a permutation invariant architecture for deep learning with orderless point clouds. The SO-Net models the spatial distribution of point cloud by building a Self-Organizing Map (SOM). Based on the SOM, SO-Net…

计算机视觉与模式识别 · 计算机科学 2018-03-28 Jiaxin Li , Ben M. Chen , Gim Hee Lee