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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…

最优化与控制 · 数学 2026-05-19 Raphaël Barboni , Maarten V. de Hoop , Takashi Furuya , Gabriel Peyré

Graph Transformers, which incorporate self-attention and positional encoding, have recently emerged as a powerful architecture for various graph learning tasks. Despite their impressive performance, the complex non-convex interactions…

机器学习 · 计算机科学 2024-06-05 Hongkang Li , Meng Wang , Tengfei Ma , Sijia Liu , Zaixi Zhang , Pin-Yu Chen

We show that the core components of the Transformer block -- attention, residual connections, and normalization -- arise naturally from a single geometric estimation problem. Modeling the latent state as a direction on the hypersphere, with…

机器学习 · 计算机科学 2026-05-13 Peter Racioppo

The forward pass of a Transformer can be seen as an interacting particle system on the unit sphere: time plays the role of layers, particles that of token embeddings, and the unit sphere idealizes layer normalization. In some weight…

机器学习 · 计算机科学 2026-05-14 Antonio Álvarez-López , Borjan Geshkovski , Domènec Ruiz-Balet

Large language models based on the Transformer architecture have demonstrated impressive capabilities to learn in context. However, existing theoretical studies on how this phenomenon arises are limited to the dynamics of a single layer of…

机器学习 · 统计学 2024-06-04 Juno Kim , Taiji Suzuki

Transformers owe much of their empirical success in natural language processing to the self-attention blocks. Recent perspectives interpret attention blocks as interacting particle systems, whose mean-field limits correspond to gradient…

机器学习 · 计算机科学 2026-03-18 Viktor Stein , Wuchen Li , Gabriele Steidl

We take a deep look into the behavior of self-attention heads in the transformer architecture. In light of recent work discouraging the use of attention distributions for explaining a model's behavior, we show that attention distributions…

机器学习 · 计算机科学 2021-01-15 Damian Pascual , Gino Brunner , Roger Wattenhofer

Despite the widespread success of Transformers across various domains, their optimization guarantees in large-scale model settings are not well-understood. This paper rigorously analyzes the convergence properties of gradient flow in…

机器学习 · 统计学 2024-11-01 Cheng Gao , Yuan Cao , Zihao Li , Yihan He , Mengdi Wang , Han Liu , Jason Matthew Klusowski , Jianqing Fan

Transformers have emerged as a powerful neural network architecture capable of tackling a wide range of learning tasks. In this work, we provide a theoretical analysis of their ability to automatically extract structure from data in an…

机器学习 · 统计学 2025-10-29 Rodrigo Maulen-Soto , Pierre Marion , Claire Boyer

This research endeavors to offer insights into unlocking the further potential of transformer-based architectures. One of the primary motivations is to offer a geometric interpretation for the attention mechanism in transformers. In our…

机器学习 · 计算机科学 2025-12-16 Zhongping Ji

While the expressive power and computational capabilities of graph neural networks (GNNs) have been theoretically studied, their optimization and learning dynamics, in general, remain largely unexplored. Our study undertakes the Graph…

机器学习 · 计算机科学 2023-10-26 Nimrah Mustafa , Aleksandar Bojchevski , Rebekka Burkholz

Transformers, renowned for their self-attention mechanism, have achieved state-of-the-art performance across various tasks in natural language processing, computer vision, time-series modeling, etc. However, one of the challenges with deep…

机器学习 · 计算机科学 2024-11-04 Jeongwhan Choi , Hyowon Wi , Jayoung Kim , Yehjin Shin , Kookjin Lee , Nathaniel Trask , Noseong Park

Transformers are increasingly adopted for modeling and forecasting time-series, yet their internal mechanisms remain poorly understood from a dynamical systems perspective. In contrast to classical autoregressive and state-space models,…

机器学习 · 计算机科学 2025-12-25 Gregory Duthé , Nikolaos Evangelou , Wei Liu , Ioannis G. Kevrekidis , Eleni Chatzi

The Transformer architecture has achieved tremendous success in natural language processing, computer vision, and scientific computing through its self-attention mechanism. However, its core components-positional encoding and attention…

机器学习 · 计算机科学 2025-11-13 Xianshuai Shi , Jianfeng Zhu , Leibo Liu

Self-attention is key to the remarkable success of transformers in sequence modeling tasks including many applications in natural language processing and computer vision. Like neural network layers, these attention mechanisms are often…

机器学习 · 计算机科学 2024-06-21 Tan M. Nguyen , Tam Nguyen , Nhat Ho , Andrea L. Bertozzi , Richard G. Baraniuk , Stanley J. Osher

We introduce the Random Quadratic Form (RQF): a stochastic differential equation which formally corresponds to the gradient flow of a random quadratic functional on a sphere. While the one-point dynamics of the system is a Brownian motion…

概率论 · 数学 2026-03-09 Maximilian Engel , Anna Shalova

Transformers based on the attention mechanism have achieved impressive success in various areas. However, the attention mechanism has a quadratic complexity, significantly impeding Transformers from dealing with numerous tokens and scaling…

机器学习 · 计算机科学 2022-06-17 Haixu Wu , Jialong Wu , Jiehui Xu , Jianmin Wang , Mingsheng Long

Despite the Transformer's dominance across machine learning, its architecture remains largely heuristic and lacks a unified theoretical foundation. We introduce Score-based Variational Flow (SVFlow), a continuous-time dynamical system for…

机器学习 · 计算机科学 2026-04-28 Huadong Liao

We propose a graph-oriented attention-based explainability method for tabular data. Tasks involving tabular data have been solved mostly using traditional tree-based machine learning models which have the challenges of feature selection and…

机器学习 · 计算机科学 2024-06-05 Andrea Treviño Gavito , Diego Klabjan , Jean Utke

State-of-the-art transformer models use pairwise dot-product based self-attention, which comes at a computational cost quadratic in the input sequence length. In this paper, we investigate the global structure of attention scores computed…

机器学习 · 计算机科学 2021-06-17 Srinadh Bhojanapalli , Ayan Chakrabarti , Himanshu Jain , Sanjiv Kumar , Michal Lukasik , Andreas Veit