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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…

Machine Learning · Computer Science 2024-11-21 Hamed Shirzad , Honghao Lin , Ameya Velingker , Balaji Venkatachalam , David Woodruff , Danica Sutherland

Real-world graphs naturally exhibit hierarchical or cyclical structures that are unfit for the typical Euclidean space. While there exist graph neural networks that leverage hyperbolic or spherical spaces to learn representations that embed…

Machine Learning · Computer Science 2023-09-11 Sungjun Cho , Seunghyuk Cho , Sungwoo Park , Hankook Lee , Honglak Lee , Moontae Lee

Transformers have recently emerged as powerful neural networks for graph learning, showcasing state-of-the-art performance on several graph property prediction tasks. However, these results have been limited to small-scale graphs, where the…

Machine Learning · Computer Science 2023-12-19 Vijay Prakash Dwivedi , Yozen Liu , Anh Tuan Luu , Xavier Bresson , Neil Shah , Tong Zhao

In this paper, we tackle the challenge of predicting stock movements in financial markets by introducing Higher Order Transformers, a novel architecture designed for processing multivariate time-series data. We extend the self-attention…

Machine Learning · Computer Science 2024-12-17 Soroush Omranpour , Guillaume Rabusseau , Reihaneh Rabbany

Transformers have reshaped machine learning by utilizing attention mechanisms to capture complex patterns in large datasets, leading to significant improvements in performance. This success has contributed to the belief that "bigger means…

Machine Learning · Computer Science 2025-05-28 Hemanth Saratchandran , Damien Teney , Simon Lucey

Transformers, as the fundamental deep learning architecture, have demonstrated great capability in reasoning. This paper studies the generalizable first-order logical reasoning ability of transformers with their parameterized knowledge and…

Computation and Language · Computer Science 2025-07-11 Tianshi Zheng , Jiazheng Wang , Zihao Wang , Jiaxin Bai , Hang Yin , Zheye Deng , Yangqiu Song , Jianxin Li

Transformers are powerful sequence models, but require time and memory that grows quadratically with the sequence length. In this paper we introduce sparse factorizations of the attention matrix which reduce this to $O(n \sqrt{n})$. We also…

Machine Learning · Computer Science 2019-04-25 Rewon Child , Scott Gray , Alec Radford , Ilya Sutskever

Transformers are built upon multi-head scaled dot-product attention and positional encoding, which aim to learn the feature representations and token dependencies. In this work, we focus on enhancing the distinctive representation by…

Computer Vision and Pattern Recognition · Computer Science 2022-07-12 Litao Yu , Jian Zhang

Hypergraphs play a pivotal role in the modelling of data featuring higher-order relations involving more than two entities. Hypergraph neural networks emerge as a powerful tool for processing hypergraph-structured data, delivering…

Machine Learning · Computer Science 2024-06-04 Zexi Liu , Bohan Tang , Ziyuan Ye , Xiaowen Dong , Siheng Chen , Yanfeng Wang

Many machine learning tasks such as multiple instance learning, 3D shape recognition, and few-shot image classification are defined on sets of instances. Since solutions to such problems do not depend on the order of elements of the set,…

Machine Learning · Computer Science 2019-05-28 Juho Lee , Yoonho Lee , Jungtaek Kim , Adam R. Kosiorek , Seungjin Choi , Yee Whye Teh

Looped Transformers have shown exceptional neural algorithmic reasoning capability in simulating traditional graph algorithms, but their application to more complex structures like hypergraphs remains underexplored. Hypergraphs generalize…

Machine Learning · Computer Science 2026-01-27 Zekai Huang , Yingyu Liang , Zhenmei Shi , Zhao Song , Zhen Zhuang

Graph neural networks are powerful architectures for structured datasets. However, current methods struggle to represent long-range dependencies. Scaling the depth or width of GNNs is insufficient to broaden receptive fields as larger GNNs…

Machine Learning · Computer Science 2022-01-24 Zhanghao Wu , Paras Jain , Matthew A. Wright , Azalia Mirhoseini , Joseph E. Gonzalez , Ion Stoica

Recently, graph neural networks have attracted great attention and achieved prominent performance in various research fields. Most of those algorithms have assumed pairwise relationships of objects of interest. However, in many real…

Machine Learning · Computer Science 2020-10-13 Song Bai , Feihu Zhang , Philip H. S. Torr

Transformer-based models have recently shown success in representation learning on graph-structured data beyond natural language processing and computer vision. However, the success is limited to small-scale graphs due to the drawbacks of…

Machine Learning · Computer Science 2022-10-05 Jinyoung Park , Seongjun Yun , Hyeonjin Park , Jaewoo Kang , Jisu Jeong , Kyung-Min Kim , Jung-woo Ha , Hyunwoo J. Kim

Transformers have dominated empirical machine learning models of natural language processing. In this paper, we introduce basic concepts of Transformers and present key techniques that form the recent advances of these models. This includes…

Computation and Language · Computer Science 2023-11-30 Tong Xiao , Jingbo Zhu

Transformers achieve remarkable performance in several tasks but due to their quadratic complexity, with respect to the input's length, they are prohibitively slow for very long sequences. To address this limitation, we express the…

Machine Learning · Computer Science 2020-09-01 Angelos Katharopoulos , Apoorv Vyas , Nikolaos Pappas , François Fleuret

Transformers have become one of the dominant architectures in deep learning, particularly as a powerful alternative to convolutional neural networks (CNNs) in computer vision. However, Transformer training and inference in previous works…

Computer Vision and Pattern Recognition · Computer Science 2021-12-24 Zizheng Pan , Bohan Zhuang , Haoyu He , Jing Liu , Jianfei Cai

Despite their widespread success in various domains, Transformer networks have yet to perform well across datasets in the domain of 3D atomistic graphs such as molecules even when 3D-related inductive biases like translational invariance…

Machine Learning · Computer Science 2023-03-01 Yi-Lun Liao , Tess Smidt

Large Transformer models yield impressive results on many tasks, but are expensive to train, or even fine-tune, and so slow at decoding that their use and study becomes out of reach. We address this problem by leveraging sparsity. We study…

Despite the widespread adoption of Transformer models for NLP tasks, the expressive power of these models is not well-understood. In this paper, we establish that Transformer models are universal approximators of continuous permutation…

Machine Learning · Computer Science 2020-02-26 Chulhee Yun , Srinadh Bhojanapalli , Ankit Singh Rawat , Sashank J. Reddi , Sanjiv Kumar