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Related papers: Towards Principled Graph Transformers

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We establish connections between the Transformer architecture, originally introduced for natural language processing, and Graph Neural Networks (GNNs) for representation learning on graphs. We show how Transformers can be viewed as message…

Machine Learning · Computer Science 2025-06-30 Chaitanya K. Joshi

Designing expressive Graph Neural Networks (GNNs) is a fundamental topic in the graph learning community. So far, GNN expressiveness has been primarily assessed via the Weisfeiler-Lehman (WL) hierarchy. However, such an expressivity measure…

Machine Learning · Computer Science 2024-01-17 Bohang Zhang , Jingchu Gai , Yiheng Du , Qiwei Ye , Di He , Liwei Wang

Graph neural networks (GNNs) have been widely adopted in engineering applications such as social network analysis, chemical research and computer vision. However, their efficacy is severely compromised by the inherent homophily assumption,…

Machine Learning · Computer Science 2026-04-13 Yi Luo , Xu Sun , Guangchun Luo , Aiguo Chen

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…

Computer Vision and Pattern Recognition · Computer Science 2021-08-06 Guanglei Yang , Hao Tang , Mingli Ding , Nicu Sebe , Elisa Ricci

Learning representations on large graphs is a long-standing challenge due to the inter-dependence nature. Transformers recently have shown promising performance on small graphs thanks to its global attention for capturing all-pair…

Machine Learning · Computer Science 2024-09-16 Qitian Wu , Kai Yang , Hengrui Zhang , David Wipf , Junchi Yan

Graph Neural Networks (GNNs) are a large class of relational models for graph processing. Recent theoretical studies on the expressive power of GNNs have focused on two issues. On the one hand, it has been proven that GNNs are as powerful…

Transformer models typically calculate attention matrices using dot products, which have limitations when capturing nonlinear relationships between embedding vectors. We propose Neural Attention, a technique that replaces dot products with…

Machine Learning · Computer Science 2025-11-10 Andrew DiGiugno , Ausif Mahmood

Knowledge graph reasoning plays a vital role in various applications and has garnered considerable attention. Recently, path-based methods have achieved impressive performance. However, they may face limitations stemming from constraints in…

Artificial Intelligence · Computer Science 2024-12-18 Junnan Liu , Qianren Mao , Weifeng Jiang , Jianxin Li

In recent years, graph neural networks (GNNs) have emerged as a powerful neural architecture to learn vector representations of nodes and graphs in a supervised, end-to-end fashion. Up to now, GNNs have only been evaluated empirically --…

The invariance to permutations of the adjacency matrix, i.e., graph isomorphism, is an overarching requirement for Graph Neural Networks (GNNs). Conventionally, this prerequisite can be satisfied by the invariant operations over node…

Machine Learning · Computer Science 2022-05-31 Zhongyu Huang , Yingheng Wang , Chaozhuo Li , Huiguang He

Recent research suggests that systematic generalization in natural language understanding remains a challenge for state-of-the-art neural models such as Transformers and Graph Neural Networks. To tackle this challenge, we propose Edge…

Computation and Language · Computer Science 2021-12-02 Leon Bergen , Timothy J. O'Donnell , Dzmitry Bahdanau

The Transformer architecture is shown to provide a powerful framework as an end-to-end model for building expression trees from online handwritten gestures corresponding to glyph strokes. In particular, the attention mechanism was…

Computation and Language · Computer Science 2022-11-07 Mirco Ramo , Guénolé C. M. Silvestre

We introduce Attention Graphs, a new tool for mechanistic interpretability of Graph Neural Networks (GNNs) and Graph Transformers based on the mathematical equivalence between message passing in GNNs and the self-attention mechanism in…

Machine Learning · Computer Science 2025-02-26 Batu El , Deepro Choudhury , Pietro Liò , Chaitanya K. Joshi

Graph neural networks (GNNs) have been widely used in representation learning on graphs and achieved state-of-the-art performance in tasks such as node classification and link prediction. However, most existing GNNs are designed to learn…

Machine Learning · Computer Science 2020-02-06 Seongjun Yun , Minbyul Jeong , Raehyun Kim , Jaewoo Kang , Hyunwoo J. Kim

While (message-passing) graph neural networks have clear limitations in approximating permutation-equivariant functions over graphs or general relational data, more expressive, higher-order graph neural networks do not scale to large…

Machine Learning · Computer Science 2022-08-31 Christopher Morris , Gaurav Rattan , Sandra Kiefer , Siamak Ravanbakhsh

Transformer-based pre-trained models have gained much advance in recent years, becoming one of the most important backbones in natural language processing. Recent work shows that the attention mechanism inside Transformer may not be…

Computation and Language · Computer Science 2022-10-27 Yile Wang , Linyi Yang , Zhiyang Teng , Ming Zhou , Yue Zhang

We present a fully non neural learning framework based on Graph Laplacian Wavelet Transforms (GLWT). Unlike traditional architectures that rely on convolutional, recurrent, or attention based neural networks, our model operates purely in…

Machine Learning · Computer Science 2025-07-30 Andrew Kiruluta , Andreas Lemos , Priscilla Burity

Graph Transformers typically rely on explicit positional or structural encodings and dense global attention to incorporate graph topology. In this work, we show that neither is essential. We introduce HopFormer, a graph Transformer that…

Machine Learning · Computer Science 2026-02-03 Sanggeon Yun , Raheeb Hassan , Ryozo Masukawa , Sungheon Jeong , Mohsen Imani

It has become a popular paradigm to transfer the knowledge of large-scale pre-trained models to various downstream tasks via fine-tuning the entire model parameters. However, with the growth of model scale and the rising number of…

Machine Learning · Computer Science 2023-05-18 Anchun Gui , Jinqiang Ye , Han Xiao

Message-passing neural networks (MPNNs) are the leading architecture for deep learning on graph-structured data, in large part due to their simplicity and scalability. Unfortunately, it was shown that these architectures are limited in…

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