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The self-attention mechanism in transformers and the message-passing mechanism in graph neural networks are repeatedly applied within deep learning architectures. We show that this application inevitably leads to oversmoothing, i.e., to…

Machine Learning · Computer Science 2023-06-05 Ameen Ali , Tomer Galanti , Lior Wolf

Models based on the Transformer architecture have achieved better accuracy than the ones based on competing architectures for a large set of tasks. A unique feature of the Transformer is its universal application of a self-attention…

Machine Learning · Computer Science 2020-10-01 Nan Ding , Xinjie Fan , Zhenzhong Lan , Dale Schuurmans , Radu Soricut

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

Despite the remarkable empirical performance of Transformers, their theoretical understanding remains elusive. Here, we consider a deep multi-head self-attention network, that is closely related to Transformers yet analytically tractable.…

Machine Learning · Computer Science 2024-12-10 Lorenzo Tiberi , Francesca Mignacco , Kazuki Irie , Haim Sompolinsky

We study the fundamental optimization principles of self-attention, the defining mechanism of transformers, by analyzing the implicit bias of gradient-based optimizers in training a self-attention layer with a linear decoder in binary…

Machine Learning · Computer Science 2025-04-01 Bhavya Vasudeva , Puneesh Deora , Christos Thrampoulidis

We consider a class of optimization problems on the space of probability measures motivated by the mean-field approach to studying neural networks. Such problems can be solved by constructing continuous-time gradient flows that converge to…

Optimization and Control · Mathematics 2026-02-18 Petra Lazić , Linshan Liu , Mateusz B. Majka

The study of passive scalar transport in a turbulent velocity field leads naturally to the notion of generalized flows which are families of probability distributions on the space of solutions to the associated ODEs, which no longer satisfy…

Chaotic Dynamics · Physics 2009-10-31 Weinan E , Eric Vanden Eijnden

Various machine learning tasks, from generative modeling to domain adaptation, revolve around the concept of dataset transformation and manipulation. While various methods exist for transforming unlabeled datasets, principled methods to do…

Machine Learning · Computer Science 2021-06-17 David Alvarez-Melis , Nicolò Fusi

For addressing optimisation tasks on finite dimensional quantum systems, we give a comprehensive account of the foundations of gradient flows on Riemannian manifolds including new developments: we extend former results from Lie groups such…

Quantum Physics · Physics 2010-12-07 T. Schulte-Herbrueggen , S. J. Glaser , G. Dirr , U. Helmke

This notebook tutorial demonstrates a method for sampling Boltzmann distributions of lattice field theories using a class of machine learning models known as normalizing flows. The ideas and approaches proposed in arXiv:1904.12072,…

Recent work studying the generalization of diffusion models with UNet-based denoisers reveals inductive biases that can be expressed via geometry-adaptive harmonic bases. However, in practice, more recent denoising networks are often based…

Computer Vision and Pattern Recognition · Computer Science 2024-10-29 Jie An , De Wang , Pengsheng Guo , Jiebo Luo , Alexander Schwing

The self-attention mechanism, at the heart of the Transformer model, is able to effectively model pairwise interactions between tokens. However, numerous recent works have shown that it is unable to perform basic tasks involving detecting…

Machine Learning · Computer Science 2026-02-03 Sayak Chakrabarti , Toniann Pitassi , Josh Alman

Recent works have shown that transformers can solve contextual reasoning tasks by internally executing computational graphs called circuits. Circuits often use attention to logically match information from subspaces of the representation,…

Machine Learning · Computer Science 2024-06-27 Stephen Menary , Samuel Kaski , Andre Freitas

We propose a generalization of transformer neural network architecture for arbitrary graphs. The original transformer was designed for Natural Language Processing (NLP), which operates on fully connected graphs representing all connections…

Machine Learning · Computer Science 2021-01-26 Vijay Prakash Dwivedi , Xavier Bresson

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

We study thermally activated dynamics using functional renormalization within the field theory of randomly pinned elastic systems, a prototype for glasses. It appears through an essentially non-perturbative boundary layer in the running…

Disordered Systems and Neural Networks · Physics 2007-05-23 Leon Balents , Pierre Le Doussal

Attention and self-attention mechanisms, are now central to state-of-the-art deep learning on sequential tasks. However, most recent progress hinges on heuristic approaches with limited understanding of attention's role in model…

Machine Learning · Computer Science 2020-12-11 Giancarlo Kerg , Bhargav Kanuparthi , Anirudh Goyal , Kyle Goyette , Yoshua Bengio , Guillaume Lajoie

We study evolution equations on metric graphs with reservoirs, that is graphs where a one-dimensional interval is associated to each edge and, in addition, the vertices are able to store and exchange mass with these intervals. Focusing on…

Analysis of PDEs · Mathematics 2024-12-24 Georg Heinze , Jan-Frederik Pietschmann , André Schlichting

Neural networks trained with standard objectives exhibit behaviors characteristic of probabilistic inference: soft clustering, prototype specialization, and Bayesian uncertainty tracking. These phenomena appear across architectures -- in…

Machine Learning · Computer Science 2026-01-01 Alan Oursland

The generalized Graetz problem refers to stationary convection-diffusion in uni-directional flows. In this contribution we demonstrate the ana-lyticity of generalized Graetz solutions associated with layered domains: either cylindrical…

Numerical Analysis · Mathematics 2020-02-14 Charles Pierre , Franck Plouraboué
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