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Normalizing flows provide an elegant method for obtaining tractable density estimates from distributions by using invertible transformations. The main challenge is to improve the expressivity of the models while keeping the invertibility…

Computer Vision and Pattern Recognition · Computer Science 2023-09-07 Avideep Mukherjee , Badri Narayan Patro , Vinay P. Namboodiri

Wasserstein barycenters provide a principled approach for aggregating probability measures, while preserving the geometry of their ambient space. Existing discrete methods are not scalable as they assume access to the complete set of…

Machine Learning · Statistics 2026-03-10 Eduardo Fernandes Montesuma , Yassir Bendou , Mike Gartrell

Transformers and their attention mechanism have been revolutionary in the field of Machine Learning. While originally proposed for the language data, they quickly found their way to the image, video, graph, etc. data modalities with various…

Machine Learning · Computer Science 2025-09-22 Saeed Amizadeh , Sara Abdali , Yinheng Li , Kazuhito Koishida

We study the effect of normalization schemes on token representations in deep transformers. Modeling their evolution as interacting particles on the sphere, we show that normalization acts as a form of speed regulation. This perspective…

Machine Learning · Computer Science 2025-11-12 Nikita Karagodin , Shu Ge , Yury Polyanskiy , Philippe Rigollet

Glass-forming liquids exhibit slow dynamics below their melting temperatures, maintaining an amorphous structure reminiscent of normal liquids. Distinguishing microscopic structures in the supercooled and high-temperature regimes remains a…

Soft Condensed Matter · Physics 2025-07-14 Kohei Yoshikawa , Kentaro Yano , Shota Goto , Kang Kim , Nobuyuki Matubayasi

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

We introduce $\Sigma$-Attention, a Transformer-based operator-learning framework to address a key computational challenge in correlated materials. Our approach utilizes an Encoder-Only Transformer as an ansatz to approximate the self-energy…

Strongly Correlated Electrons · Physics 2025-06-02 Yuanran Zhu , Peter Rosenberg , Zhen Huang , Hardeep Bassi , Chao Yang , Shiwei Zhang

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 consider the problem of density estimation on Riemannian manifolds. Density estimation on manifolds has many applications in fluid-mechanics, optics and plasma physics and it appears often when dealing with angular variables (such as…

Machine Learning · Statistics 2016-11-10 Mevlana C. Gemici , Danilo Rezende , Shakir Mohamed

Image generation has been successfully cast as an autoregressive sequence generation or transformation problem. Recent work has shown that self-attention is an effective way of modeling textual sequences. In this work, we generalize a…

Computer Vision and Pattern Recognition · Computer Science 2018-06-19 Niki Parmar , Ashish Vaswani , Jakob Uszkoreit , Łukasz Kaiser , Noam Shazeer , Alexander Ku , Dustin Tran

Important gaps remain in our understanding of the thermodynamics and statistical physics of self-gravitating systems. Using mean field theory, here we investigate the equilibrium properties of several spherically symmetric model systems…

Statistical Mechanics · Physics 2009-10-31 Peter J. Klinko , Bruce N. Miller

Normalizing flows can transform a simple prior probability distribution into a more complex target distribution. Here, we evaluate the ability and efficiency of generative machine learning methods to sample the Boltzmann distribution of an…

Soft Condensed Matter · Physics 2024-09-16 Gerhard Jung , Giulio Biroli , Ludovic Berthier

Attention mechanisms are developing into a viable alternative to convolutional layers as elementary building block of NNs. Their main advantage is that they are not restricted to capture local dependencies in the input, but can draw…

Machine Learning · Computer Science 2021-09-07 Thorben Frank , Stefan Chmiela

Transformer-based architectures achieve state-of-the-art performance across a wide range of tasks in natural language processing, computer vision, and speech processing. However, their immense capacity often leads to overfitting, especially…

Computer Vision and Pattern Recognition · Computer Science 2025-09-22 Mirza Samad Ahmed Baig , Syeda Anshrah Gillani , Abdul Akbar Khan , Shahid Munir Shah , Muhammad Omer Khan

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

This work develops a mean-field analysis for the asymptotic behavior of deep BitNet-like architectures as smooth quantization parameters approach zero. We establish that empirical measures of latent weights converge weakly to solutions of…

Optimization and Control · Mathematics 2025-09-03 Dongwon Kim , Dongseok Lee

Understanding the fundamental mechanism behind the success of transformer networks is still an open problem in the deep learning literature. Although their remarkable performance has been mostly attributed to the self-attention mechanism,…

Machine Learning · Computer Science 2022-11-23 Tolga Ergen , Behnam Neyshabur , Harsh Mehta

The success of the self-attention mechanism in classical machine learning models has inspired the development of quantum analogs aimed at reducing computational overhead. Self-attention integrates learnable query and key matrices to…

Self-attention in Transformers relies on globally normalized softmax weights, causing all tokens to compete for influence at every layer. When composed across depth, this interaction pattern induces strong synchronization dynamics that…

Machine Learning · Computer Science 2026-05-26 Jingkun Liu , Yisong Yue , Max Welling , Yue Song

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