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The Transformer architecture has revolutionized the field of sequence modeling and underpins the recent breakthroughs in large language models (LLMs). However, a comprehensive mathematical theory that explains its structure and operations…

Machine Learning · Computer Science 2026-04-14 Xue-Cheng Tai , Hao Liu , Lingfeng Li , Raymond H. Chan

Attention, specifically scaled dot-product attention, has proven effective for natural language, but it does not have a mechanism for handling hierarchical patterns of arbitrary nesting depth, which limits its ability to recognize certain…

Computation and Language · Computer Science 2024-01-25 Brian DuSell , David Chiang

In-context learning is a remarkable property of transformers and has been the focus of recent research. An attention mechanism is a key component in transformers, in which an attention matrix encodes relationships between words in a…

Machine Learning · Computer Science 2025-04-01 Katsuyuki Hagiwara

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

Modular exponentiation is crucial to number theory and cryptography, yet remains largely unexplored from a mechanistic interpretability standpoint. We train a 4-layer encoder-decoder Transformer model to perform this operation and…

Machine Learning · Computer Science 2025-10-24 David Demitri Africa , Sara M. Kapoor , Theo Simon Sorg , Challenger Mishra

The attention mechanism is a fundamental component of the Transformer model, contributing to interactions among distinct tokens, in contrast to earlier feed-forward neural networks. In general, the attention scores are determined simply by…

Computation and Language · Computer Science 2024-10-11 Chuanyang Zheng , Yihang Gao , Han Shi , Jing Xiong , Jiankai Sun , Jingyao Li , Minbin Huang , Xiaozhe Ren , Michael Ng , Xin Jiang , Zhenguo Li , Yu Li

Transformers have revolutionized deep learning in numerous fields, including natural language processing, computer vision, and audio processing. Their strength lies in their attention mechanism, which allows for the discovering of complex…

Machine Learning · Computer Science 2024-04-02 Uladzislau Yorsh , Martin Holeňa , Ondřej Bojar , David Herel

Initially introduced as a machine translation model, the Transformer architecture has now become the foundation for modern deep learning architecture, with applications in a wide range of fields, from computer vision to natural language…

Computation and Language · Computer Science 2024-06-21 Martin Courtois , Malte Ostendorff , Leonhard Hennig , Georg Rehm

Transformer is a powerful architecture that achieves superior performance on various sequence learning tasks, including neural machine translation, language understanding, and sequence prediction. At the core of the Transformer is the…

Machine Learning · Computer Science 2019-11-13 Yao-Hung Hubert Tsai , Shaojie Bai , Makoto Yamada , Louis-Philippe Morency , Ruslan Salakhutdinov

Inference in expressive probabilistic models is generally intractable, which makes them difficult to learn and limits their applicability. Sum-product networks are a class of deep models where, surprisingly, inference remains tractable even…

Machine Learning · Computer Science 2016-11-14 Abram L. Friesen , Pedro Domingos

We introduce in-context denoising, a task that refines the connection between attention-based architectures and dense associative memory (DAM) networks, also known as modern Hopfield networks. Using a Bayesian framework, we show…

Machine Learning · Computer Science 2025-06-09 Matthew Smart , Alberto Bietti , Anirvan M. Sengupta

Transformers serve as the foundation of most modern large language models. To mitigate the quadratic complexity of standard full attention, various efficient attention mechanisms, such as linear and hybrid attention, have been developed. A…

Machine Learning · Computer Science 2026-02-03 Xiaowei Ye , Xiaoyu He , Chao Liao , Chen Wu , Pinyan Lu

Transformers empirically perform precise probabilistic reasoning in carefully constructed ``Bayesian wind tunnels'' and in large-scale language models, yet the mechanisms by which gradient-based learning creates the required internal…

Machine Learning · Statistics 2026-05-19 Naman Agarwal , Siddhartha R. Dalal , Vishal Misra

Attention-based architectures have become ubiquitous in machine learning, yet our understanding of the reasons for their effectiveness remains limited. This work proposes a new way to understand self-attention networks: we show that their…

Machine Learning · Computer Science 2023-08-02 Yihe Dong , Jean-Baptiste Cordonnier , Andreas Loukas

Transformers have achieved remarkable success in sequence modeling and beyond but suffer from quadratic computational and memory complexities with respect to the length of the input sequence. Leveraging techniques include sparse and linear…

Machine Learning · Computer Science 2022-08-02 Tan Nguyen , Richard G. Baraniuk , Robert M. Kirby , Stanley J. Osher , Bao Wang

We give a novel logical characterization of encoder-decoder transformers, the foundational architecture for LLMs that also sees use in various settings that benefit from cross-attention. We study such transformers over text in the practical…

Logic in Computer Science · Computer Science 2026-05-11 Veeti Ahvonen , Damian Heiman , Antti Kuusisto , Miguel Moreno , Matias Selin

Transformers flexibly operate over sets of real-valued vectors representing task-specific entities and their attributes, where each vector might encode one word-piece token and its position in a sequence, or some piece of information that…

Machine Learning · Computer Science 2023-03-14 Cameron Diao , Ricky Loynd

In this paper, we apply the self-attention from the state-of-the-art Transformer in Attention Is All You Need for the first time to a data-driven operator learning problem related to partial differential equations. An effort is put together…

Machine Learning · Computer Science 2021-11-02 Shuhao Cao

Since its inception in "Attention Is All You Need", transformer architecture has led to revolutionary advancements in NLP. The attention layer within the transformer admits a sequence of input tokens $X$ and makes them interact through…

Machine Learning · Computer Science 2024-02-23 Davoud Ataee Tarzanagh , Yingcong Li , Christos Thrampoulidis , Samet Oymak

Exponential families are widely used in machine learning; they include many distributions in continuous and discrete domains (e.g., Gaussian, Dirichlet, Poisson, and categorical distributions via the softmax transformation). Distributions…

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