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Topological Deep Learning seeks to enhance the predictive performance of neural network models by harnessing topological structures in input data. Topological neural networks operate on spaces such as cell complexes and hypergraphs, that…

In recent years, Graph Neural Networks (GNNs) have shown superior performance on diverse applications on real-world datasets. To improve the model capacity and alleviate the over-smoothing problem, several methods proposed to incorporate…

机器学习 · 计算机科学 2021-12-28 Lanning Wei , Huan Zhao , Zhiqiang He

Graph embedding methods represent nodes in a continuous vector space, preserving information from the graph (e.g. by sampling random walks). There are many hyper-parameters to these methods (such as random walk length) which have to be…

机器学习 · 计算机科学 2018-12-27 Sami Abu-El-Haija , Bryan Perozzi , Rami Al-Rfou , Alex Alemi

The complicated syntax structure of natural language is hard to be explicitly modeled by sequence-based models. Graph is a natural structure to describe the complicated relation between tokens. The recent advance in Graph Neural Networks…

计算与语言 · 计算机科学 2019-09-19 Wei Li , Shuheng Li , Shuming Ma , Yancheng He , Deli Chen , Xu Sun

Despite the growing popularity of graph attention mechanisms, their theoretical understanding remains limited. This paper aims to explore the conditions under which these mechanisms are effective in node classification tasks through the…

机器学习 · 计算机科学 2025-05-14 Zhongtian Ma , Qiaosheng Zhang , Bocheng Zhou , Yexin Zhang , Shuyue Hu , Zhen Wang

The training and generalization dynamics of the Transformer's core mechanism, namely the Attention mechanism, remain under-explored. Besides, existing analyses primarily focus on single-head attention. Inspired by the demonstrated benefits…

机器学习 · 计算机科学 2024-10-15 Puneesh Deora , Rouzbeh Ghaderi , Hossein Taheri , Christos Thrampoulidis

Oversmoothing is a fundamental limitation of deep graph convolutional networks (GCNs), causing node representations to collapse as depth increases. While many prior approaches mitigate this effect through architectural modifications or…

机器学习 · 计算机科学 2026-02-10 Sai Vamsi Alisetti

Transformer-based deep learning models have achieved state-of-the-art performance across numerous language and vision tasks. While the self-attention mechanism, a core component of transformers, has proven capable of handling complex data…

机器学习 · 计算机科学 2025-08-05 Laziz Abdullaev , Tan M. Nguyen

Transformer networks have lead to important progress in language modeling and machine translation. These models include two consecutive modules, a feed-forward layer and a self-attention layer. The latter allows the network to capture long…

机器学习 · 计算机科学 2019-07-03 Sainbayar Sukhbaatar , Edouard Grave , Guillaume Lample , Herve Jegou , Armand Joulin

Graph transformers are the state-of-the-art for learning from graph-structured data and are empirically known to avoid several pitfalls of message-passing architectures. However, there is limited theoretical analysis on why these models…

机器学习 · 统计学 2026-03-19 Nil Ayday , Lingchu Yang , Debarghya Ghoshdastidar

Current Graph Neural Networks (GNNs) suffer from the over-smoothing problem, which results in indistinguishable node representations and low model performance with more GNN layers. Many methods have been put forward to tackle this problem…

机器学习 · 计算机科学 2022-10-25 Xinshun Feng , Herun Wan , Shangbin Feng , Hongrui Wang , Jun Zhou , Qinghua Zheng , Minnan Luo

Transformer networks, driven by self-attention, are central to Large Language Models. In generative Transformers, self-attention uses cache memory to store token projections, avoiding recomputation at each time step. However, GPU-stored…

神经与进化计算 · 计算机科学 2024-11-26 Nathan Leroux , Paul-Philipp Manea , Chirag Sudarshan , Jan Finkbeiner , Sebastian Siegel , John Paul Strachan , Emre Neftci

Data with geometric structure is ubiquitous in machine learning often arising from fundamental symmetries in a domain, such as permutation-invariance in graphs and translation-invariance in images. Group-convolutional architectures, which…

机器学习 · 计算机科学 2024-10-10 Bobak T. Kiani , Lukas Fesser , Melanie Weber

Transformer-based models have recently become wildly successful across a diverse set of domains. At the same time, recent work has shown empirically and theoretically that Transformers are inherently limited. Specifically, they argue that…

机器学习 · 计算机科学 2024-07-30 Gbètondji J-S Dovonon , Michael M. Bronstein , Matt J. Kusner

Sentence representation models trained only on language could potentially suffer from the grounding problem. Recent work has shown promising results in improving the qualities of sentence representations by jointly training them with…

计算与语言 · 计算机科学 2017-12-05 Kang Min Yoo , Youhyun Shin , Sang-goo Lee

Transductive tasks on graphs differ fundamentally from typical supervised machine learning tasks, as the independent and identically distributed (i.i.d.) assumption does not hold among samples. Instead, all train/test/validation samples are…

机器学习 · 计算机科学 2024-11-21 Hamed Shirzad , Honghao Lin , Ameya Velingker , Balaji Venkatachalam , David Woodruff , Danica Sutherland

Graph transformers have gained popularity in various graph-based tasks by addressing challenges faced by traditional Graph Neural Networks. However, the quadratic complexity of self-attention operations and the extensive layering in graph…

机器学习 · 计算机科学 2023-09-20 Reza Shirkavand , Heng Huang

In the graph domain, deep graph networks based on Message Passing Neural Networks (MPNNs) or Graph Transformers often cause over-smoothing of node features, limiting their expressive capacity. Many upsampling techniques involving node and…

机器学习 · 计算机科学 2026-02-03 Xiaotang Wang , Yun Zhu , Haizhou Shi , Yongchao Liu , Yongqi Zhang

Graph neural networks (GNNs) have received tremendous attention due to their superiority in learning node representations. These models rely on message passing and feature transformation functions to encode the structural and feature…

机器学习 · 计算机科学 2021-12-02 Kai Guo , Kaixiong Zhou , Xia Hu , Yu Li , Yi Chang , Xin Wang

Deep graph embedding is an important approach for community discovery. Deep graph neural network with self-supervised mechanism can obtain the low-dimensional embedding vectors of nodes from unlabeled and unstructured graph data. The…

社会与信息网络 · 计算机科学 2021-02-09 Shuliang Xu , Shenglan Liu , Lin Feng