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The aim of this paper is to provide a mathematical analysis of transformer architectures using a self-attention mechanism with layer normalization. In particular, observed patterns in such architectures resembling either clusters or uniform…

Analysis of PDEs · Mathematics 2025-04-29 Martin Burger , Samira Kabri , Yury Korolev , Tim Roith , Lukas Weigand

Transformer self-attention can be interpreted as a gradient flow on the unit sphere, in which tokens evolve under softmax interaction potentials and tend to form clusters. While prior work has established clustering behavior for single-head…

Machine Learning · Computer Science 2026-05-11 Ayan Pendharkar

Transformers have become the dominant architecture in modern machine learning, yet the theoretical understanding of their training dynamics remains limited. This paper develops a rigorous mathematical framework for analyzing gradient-based…

Optimization and Control · Mathematics 2026-05-19 Raphaël Barboni , Maarten V. de Hoop , Takashi Furuya , Gabriel Peyré

There has been a recent surge of interest in time series modeling using the Transformer architecture. However, forecasting multivariate time series with Transformer presents a unique challenge as it requires modeling both temporal…

Machine Learning · Computer Science 2025-07-04 Yu-Hsiang Lan , Eric K. Oermann

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

Many applications in machine learning involve data represented as probability distributions. The emergence of such data requires radically novel techniques to design tractable gradient flows on probability distributions over this type of…

Machine Learning · Computer Science 2025-06-10 Clément Bonet , Christophe Vauthier , Anna Korba

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

In this study, we introduce novel methodologies designed to adapt original data in response to the dynamics of persistence diagrams along Wasserstein gradient flows. Our research focuses on the development of algorithms that translate…

Algebraic Topology · Mathematics 2024-12-06 Minghua Wang , Jinhui Xu

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

We study the dynamics of gradient flow for training a multi-head softmax attention model for in-context learning of multi-task linear regression. We establish the global convergence of gradient flow under suitable choices of initialization.…

Machine Learning · Computer Science 2024-06-11 Siyu Chen , Heejune Sheen , Tianhao Wang , Zhuoran Yang

Dynamic graph embedding has emerged as a very effective technique for addressing diverse temporal graph analytic tasks (i.e., link prediction, node classification, recommender systems, anomaly detection, and graph generation) in various…

Machine Learning · Computer Science 2023-12-27 Alan John Varghese , Aniruddha Bora , Mengjia Xu , George Em Karniadakis

The remarkable capability of Transformers to do reasoning and few-shot learning, without any fine-tuning, is widely conjectured to stem from their ability to implicitly simulate a multi-step algorithms -- such as gradient descent -- with…

Machine Learning · Computer Science 2024-10-14 Khashayar Gatmiry , Nikunj Saunshi , Sashank J. Reddi , Stefanie Jegelka , Sanjiv Kumar

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…

Machine Learning · Computer Science 2024-10-15 Puneesh Deora , Rouzbeh Ghaderi , Hossein Taheri , Christos Thrampoulidis

Transformer-based models have been achieving state-of-the-art results in several fields of Natural Language Processing. However, its direct application to speech tasks is not trivial. The nature of this sequences carries problems such as…

Computation and Language · Computer Science 2022-05-17 Gerard Sant , Gerard I. Gállego , Belen Alastruey , Marta R. Costa-Jussà

Modeling of longitudinal cohort data typically involves complex temporal dependencies between multiple variables. There, the transformer architecture, which has been highly successful in language and vision applications, allows us to…

We argue that Transformers are essentially graph-to-graph models, with sequences just being a special case. Attention weights are functionally equivalent to graph edges. Our Graph-to-Graph Transformer architecture makes this ability…

Computation and Language · Computer Science 2023-10-30 James Henderson , Alireza Mohammadshahi , Andrei C. Coman , Lesly Miculicich

Transformer-based models have emerged as powerful tools for multivariate time series forecasting (MTSF). However, existing Transformer models often fall short of capturing both intricate dependencies across variate and temporal dimensions…

Machine Learning · Computer Science 2024-06-10 Juncheng Liu , Chenghao Liu , Gerald Woo , Yiwei Wang , Bryan Hooi , Caiming Xiong , Doyen Sahoo

Transformer-based models have demonstrated exceptional performance across diverse domains, becoming the state-of-the-art solution for addressing sequential machine learning problems. Even though we have a general understanding of the…

Disordered Systems and Neural Networks · Physics 2024-06-12 Ángel Poc-López , Miguel Aguilera

Learning reduced descriptions of chaotic many-body dynamics is fundamentally challenging: although microscopic equations are Markovian, collective observables exhibit strong memory and exponential sensitivity to initial conditions and…

Computational Physics · Physics 2026-01-28 Ho Jang , Gia-Wei Chern

The transformer architecture is central to the success of modern Large Language Models (LLMs), in part due to its surprising ability to perform a wide range of tasks - including mathematical reasoning, memorization, and retrieval - using…

Machine Learning · Computer Science 2025-09-05 Yihe Dong , Lorenzo Noci , Mikhail Khodak , Mufan Li
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