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Transformer models have emerged as fundamental tools across various scientific and engineering disciplines, owing to their outstanding performance in diverse applications. Despite this empirical success, the theoretical foundations of…

Machine Learning · Computer Science 2026-04-14 Zhen Qin , Jinxin Zhou , Jiachen Jiang , Zhihui Zhu

Self-attention, an architectural motif designed to model long-range interactions in sequential data, has driven numerous recent breakthroughs in natural language processing and beyond. This work provides a theoretical analysis of the…

Machine Learning · Computer Science 2022-06-27 Benjamin L. Edelman , Surbhi Goel , Sham Kakade , Cyril Zhang

The self-attention module is a key component of Transformer-based models, wherein each token pays attention to every other token. Recent studies have shown that these heads exhibit syntactic, semantic, or local behaviour. Some studies have…

Computation and Language · Computer Science 2020-08-14 Madhura Pande , Aakriti Budhraja , Preksha Nema , Pratyush Kumar , Mitesh M. Khapra

Attention is a key part of the transformer architecture. It is a sequence-to-sequence mapping that transforms each sequence element into a weighted sum of values. The weights are typically obtained as the softmax of dot products between…

Transformer-based models have emerged as one of the most widely used architectures for natural language processing, natural language generation, and image generation. The size of the state-of-the-art models has increased steadily reaching…

Hardware Architecture · Computer Science 2025-01-15 Rya Sanovar , Srikant Bharadwaj , Renee St. Amant , Victor Rühle , Saravan Rajmohan

Transformers with self-attention modules as their core components have become an integral architecture in modern large language and foundation models. In this paper, we study the evolution of tokens in deep encoder-only transformers at…

Analysis of PDEs · Mathematics 2026-05-12 Albert Alcalde , Leon Bungert , Konstantin Riedl , Tim Roith

Transformer-based models, even though achieving super-human performance on several downstream tasks, are often regarded as a black box and used as a whole. It is still unclear what mechanisms they have learned, especially their core module:…

Computation and Language · Computer Science 2023-10-17 Chong Li , Shaonan Wang , Yunhao Zhang , Jiajun Zhang , Chengqing Zong

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

Self-attention modules have demonstrated remarkable capabilities in capturing long-range relationships and improving the performance of point cloud tasks. However, point cloud objects are typically characterized by complex, disordered, and…

Computer Vision and Pattern Recognition · Computer Science 2023-04-13 Xian Wei , Muyu Wang , Shing-Ho Jonathan Lin , Zhengyu Li , Jian Yang , Arafat Al-Jawari , Xuan Tang

The great success of Transformer-based models benefits from the powerful multi-head self-attention mechanism, which learns token dependencies and encodes contextual information from the input. Prior work strives to attribute model decisions…

Computation and Language · Computer Science 2021-02-26 Yaru Hao , Li Dong , Furu Wei , Ke Xu

We offer a theoretical mathematical background through Lagrangian optimization on the unit hyperspherical manifold and its tangential collection with application to the Transformer and its token space. Our methods are catered to the…

Machine Learning · Computer Science 2026-01-27 Andrew Gracyk

Self-attention is essential to Transformer architectures, yet how information is embedded in the self-attention matrices and how different objective functions impact this process remains unclear. We present a mathematical framework to…

Machine Learning · Computer Science 2025-06-04 Matteo Saponati , Pascal Sager , Pau Vilimelis Aceituno , Thilo Stadelmann , Benjamin Grewe

Recent research on the multi-head attention mechanism, especially that in pre-trained models such as BERT, has shown us heuristics and clues in analyzing various aspects of the mechanism. As most of the research focus on probing tasks or…

Computation and Language · Computer Science 2020-11-04 Yue Guan , Jingwen Leng , Chao Li , Quan Chen , Minyi Guo

We revisit a basic question in sequence modeling: is explicit self-attention actually necessary for strong performance and reasoning? We argue that standard multi-head attention is best seen as a form of tensor lifting: hidden vectors are…

Machine Learning · Computer Science 2025-12-23 Zhang Chong

Transformers, which are state-of-the-art in most machine learning tasks, represent the data as sequences of vectors called tokens. This representation is then exploited by the attention function, which learns dependencies between tokens and…

Machine Learning · Computer Science 2025-01-31 Valérie Castin , Pierre Ablin , José Antonio Carrillo , Gabriel Peyré

The Transformer architecture aggregates input information through the self-attention mechanism, but there is no clear understanding of how this information is mixed across the entire model. Additionally, recent works have demonstrated that…

Computation and Language · Computer Science 2022-10-25 Javier Ferrando , Gerard I. Gállego , Marta R. Costa-jussà

Vision transformers using self-attention or its proposed alternatives have demonstrated promising results in many image related tasks. However, the underpinning inductive bias of attention is not well understood. To address this issue, this…

Machine Learning · Computer Science 2022-05-23 Arda Sahiner , Tolga Ergen , Batu Ozturkler , John Pauly , Morteza Mardani , Mert Pilanci

The recently proposed physics-based framework by Huo and Johnson~\cite{huo2024capturing} models the attention mechanism of Large Language Models (LLMs) as an interacting two-body spin system, offering a first-principles explanation for…

Materials Science · Physics 2026-01-01 Satadeep Bhattacharjee , Seung-Cheol Lee

Self-attention, as the key block of transformers, is a powerful mechanism for extracting features from the inputs. In essence, what self-attention does is to infer the pairwise relations between the elements of the inputs, and modify the…

Machine Learning · Computer Science 2021-03-09 Lemeng Wu , Xingchao Liu , Qiang Liu

Transformers have recently revolutionized many domains in modern machine learning and one salient discovery is their remarkable in-context learning capability, where models can solve an unseen task by utilizing task-specific prompts without…

Machine Learning · Computer Science 2023-10-10 Yu Huang , Yuan Cheng , Yingbin Liang