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Transformers have achieved remarkable success across domains, motivating the rise of Graph Transformers (GTs) as attention-based architectures for graph-structured data. A key design choice in GTs is the use of Graph Neural Network…

机器学习 · 计算机科学 2026-05-29 Javier Porras-Valenzuela , Zhiyang Wang , Xiaotao Shang , Yusu Wang , Alejandro Ribeiro

Spectral Graph Neural Networks have demonstrated superior performance in graph representation learning. However, many current methods focus on employing shared polynomial coefficients for all nodes, i.e., learning node-unified filters,…

机器学习 · 计算机科学 2024-07-22 Jiahong Ma , Mingguo He , Zhewei Wei

Molecular property prediction with deep learning has gained much attention over the past years. Owing to the scarcity of labeled molecules, there has been growing interest in self-supervised learning methods that learn generalizable…

机器学习 · 计算机科学 2023-09-04 Peizhen Bai , Xianyuan Liu , Haiping Lu

Despite much research, Graph Neural Networks (GNNs) still do not display the favorable scaling properties of other deep neural networks such as Convolutional Neural Networks and Transformers. Previous work has identified issues such as…

机器学习 · 计算机科学 2023-12-19 Ameen Ali , Hakan Cevikalp , Lior Wolf

This paper presents a novel transformer architecture for graph representation learning. The core insight of our method is to fully consider the information propagation among nodes and edges in a graph when building the attention module in…

机器学习 · 计算机科学 2024-10-10 Zhe Chen , Hao Tan , Tao Wang , Tianrun Shen , Tong Lu , Qiuying Peng , Cheng Cheng , Yue Qi

Graph Neural Networks (GNNs) have received a lot of interest in the recent times. From the early spectral architectures that could only operate on undirected graphs per a transductive learning paradigm to the current state of the art…

机器学习 · 计算机科学 2021-05-18 Pushkar Mishra , Aleksandra Piktus , Gerard Goossen , Fabrizio Silvestri

Dynamic graph embedding has emerged as a very effective technique for addressing diverse temporal graph analytic tasks (i.e., link prediction, node classification, recommender systems, anomaly detection, and graph generation) in various…

机器学习 · 计算机科学 2023-12-27 Alan John Varghese , Aniruddha Bora , Mengjia Xu , George Em Karniadakis

We present two architectures for multi-task learning with neural sequence models. Our approach allows the relationships between different tasks to be learned dynamically, rather than using an ad-hoc pre-defined structure as in previous…

计算与语言 · 计算机科学 2018-11-27 Pengfei Liu , Jie Fu , Yue Dong , Xipeng Qiu , Jackie Chi Kit Cheung

Rearranging deformable objects is a long-standing challenge in robotic manipulation for the high dimensionality of configuration space and the complex dynamics of deformable objects. We present a novel framework, Graph-Transporter, for…

机器人学 · 计算机科学 2023-02-22 Yuhong Deng , Chongkun Xia , Xueqian Wang , Lipeng Chen

This work presents the use of graph learning for the prediction of multi-step experimental outcomes for applications across experimental research, including material science, chemistry, and biology. The viability of geometric learning for…

机器学习 · 计算机科学 2024-08-13 Amanda A. Volk , Robert W. Epps , Jeffrey G. Ethier , Luke A. Baldwin

State-of-the-art systems neuroscience experiments yield large-scale multimodal data, and these data sets require new tools for analysis. Inspired by the success of large pretrained models in vision and language domains, we reframe the…

神经元与认知 · 定量生物学 2024-03-19 Antonis Antoniades , Yiyi Yu , Joseph Canzano , William Wang , Spencer LaVere Smith

Graph neural networks (GNNs) are composed of layers consisting of graph convolutions and pointwise nonlinearities. Due to their invariance and stability properties, GNNs are provably successful at learning representations from data…

机器学习 · 计算机科学 2023-08-09 Luana Ruiz , Luiz F. O. Chamon , Alejandro Ribeiro

Graph Transformers (GTs) facilitate the comprehension of graph-structured data by calculating the self-attention of node pairs without considering node position information. To address this limitation, we introduce an innovative and…

机器学习 · 计算机科学 2023-12-12 Kushal Bose , Swagatam Das

Recently, graph neural networks (GNNs) have proved to be suitable in tasks on unstructured data. Particularly in tasks as community detection, node classification, and link prediction. However, most GNN models still operate with static…

机器学习 · 计算机科学 2019-06-07 Darwin Saire Pilco , Adín Ramírez Rivera

Convolution neural networks and Transformers have their own advantages and both have been widely used for dense prediction in multi-task learning (MTL). Existing studies typically employ either CNNs (effectively capture local spatial…

计算机视觉与模式识别 · 计算机科学 2025-11-04 Yangyang Xu , Yibo Yang , Bernard Ghanem , Lefei Zhang , Bo Du , Jun Zhu

Many real-world phenomena can be modeled as a graph, making them extremely valuable due to their ubiquitous presence. GNNs excel at capturing those relationships and patterns within these graphs, enabling effective learning and prediction…

机器学习 · 计算机科学 2023-11-28 Abhinav Raghuvanshi , Kushal Sokke Malleshappa

Discovering distinct features and their relations from data can help us uncover valuable knowledge crucial for various tasks, e.g., classification. In neuroimaging, these features could help to understand, classify, and possibly prevent…

机器学习 · 计算机科学 2022-02-15 Usman Mahmood , Zening Fu , Vince Calhoun , Sergey Plis

Both Transformer and Graph Neural Networks (GNNs) have been employed in the domain of learning to rank (LTR). However, these approaches adhere to two distinct yet complementary problem formulations: ranking score regression based on…

机器学习 · 计算机科学 2024-09-26 Yuchen Li , Haoyi Xiong , Linghe Kong , Zeyi Sun , Hongyang Chen , Shuaiqiang Wang , Dawei Yin

It is known that the current graph neural networks (GNNs) are difficult to make themselves deep due to the problem known as over-smoothing. Multi-scale GNNs are a promising approach for mitigating the over-smoothing problem. However, there…

机器学习 · 计算机科学 2021-01-07 Kenta Oono , Taiji Suzuki

Convolution neural networks (CNNs) and Transformers have their own advantages and both have been widely used for dense prediction in multi-task learning (MTL). Most of the current studies on MTL solely rely on CNN or Transformer. In this…

计算机视觉与模式识别 · 计算机科学 2023-03-07 Yangyang Xu , Yibo Yang , Lefei Zhang