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In this contribution, we demonstrate that Graph Neural Networks and Transformers can learn to reason about geometric constraints. We train them to predict spatial position of points in a discrete 2D grid from a set of constraints that…

Machine Learning · Computer Science 2026-03-03 Jan Hůla , David Mojžíšek , Jiří Janeček , David Herel , Mikoláš Janota

Topology optimization is used for the design of high-performance structures but remains fundamentally limited by its iterative nature, requiring repeated finite element analyses that prevent real-time deployment and large-scale design…

Computational Engineering, Finance, and Science · Computer Science 2026-04-07 Aaron Lutheran , Srijan Das , Alireza Tabarraei

Deep neural networks employ specialized architectures for vision, sequential and language tasks, yet this proliferation obscures their underlying commonalities. We introduce a unified matrix-order framework that casts convolutional,…

Machine Learning · Computer Science 2025-07-24 Yuzhou Zhu

The transformer is the most popular neural architecture for language modeling. The cornerstone of the transformer is its global attention mechanism, which lets the model aggregate information from all preceding tokens before generating the…

Computation and Language · Computer Science 2026-05-20 Jiaoda Li , Ryan Cotterell

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…

Machine Learning · Computer Science 2024-06-05 Andrea Treviño Gavito , Diego Klabjan , Jean Utke

The attention mechanism in its standard implementation contains extraneous rotational degrees of freedom that are carried through computation but do not affect model activations or outputs. We introduce a simple symmetry-breaking protocol…

Machine Learning · Computer Science 2026-02-13 Eva Silverstein , Daniel Kunin , Vasudev Shyam

We investigate how embedding dimension affects the emergence of an internal "world model" in a transformer trained with reinforcement learning to perform bubble-sort-style adjacent swaps. Models achieve high accuracy even with very small…

Machine Learning · Computer Science 2025-10-22 Brady Bhalla , Honglu Fan , Nancy Chen , Tony Yue YU

We introduce dense vision transformers, an architecture that leverages vision transformers in place of convolutional networks as a backbone for dense prediction tasks. We assemble tokens from various stages of the vision transformer into…

Computer Vision and Pattern Recognition · Computer Science 2021-03-26 René Ranftl , Alexey Bochkovskiy , Vladlen Koltun

Prediction accuracy and model explainability are the two most important objectives when developing machine learning algorithms to solve real-world problems. The neural networks are known to possess good prediction performance, but lack of…

Machine Learning · Statistics 2019-09-04 Zebin Yang , Aijun Zhang , Agus Sudjianto

Time series forecasting is essential for many practical applications, with the adoption of transformer-based models on the rise due to their impressive performance in NLP and CV. Transformers' key feature, the attention mechanism,…

Machine Learning · Computer Science 2024-02-09 PeiSong Niu , Tian Zhou , Xue Wang , Liang Sun , Rong Jin

Attention layers, as commonly used in transformers, form the backbone of modern deep learning, yet there is no mathematical description of their benefits and deficiencies as compared with other architectures. In this work we establish both…

Machine Learning · Computer Science 2023-11-17 Clayton Sanford , Daniel Hsu , Matus Telgarsky

Transformers are state-of-the-art in a wide range of NLP tasks and have also been applied to many real-world products. Understanding the reliability and certainty of transformer model predictions is crucial for building trustable machine…

Computation and Language · Computer Science 2021-12-28 Jiahuan Pei , Cheng Wang , György Szarvas

Attention-based neural networks have achieved state-of-the-art results on a wide range of tasks. Most such models use deterministic attention while stochastic attention is less explored due to the optimization difficulties or complicated…

Machine Learning · Computer Science 2021-06-10 Shujian Zhang , Xinjie Fan , Bo Chen , Mingyuan Zhou

In an ideal setting for Bayesian agents, a perfect description of the rules of the environment (i.e., the objective observation model) is available, allowing them to reason through the Bayesian posterior to update their beliefs in an…

Methodology · Statistics 2023-11-10 Tianjin Li

The transformer has revolutionized modern AI across language, vision, and beyond. It consists of $L$ layers, each running $H$ attention heads in parallel and feeding the combined output to the subsequent layer. In attention, the input…

Computational Complexity · Computer Science 2026-03-13 Barna Saha , Yinzhan Xu , Christopher Ye , Hantao Yu

Transformers have attracted increasing interests in computer vision, but they still fall behind state-of-the-art convolutional networks. In this work, we show that while Transformers tend to have larger model capacity, their generalization…

Computer Vision and Pattern Recognition · Computer Science 2021-09-16 Zihang Dai , Hanxiao Liu , Quoc V. Le , Mingxing Tan

Large Language Models (LLMs) update their behavior in context, which can be viewed as a form of Bayesian inference. However, the structure of the latent hypothesis space over which this inference operates remains unclear. In this work, we…

Computation and Language · Computer Science 2026-05-13 Eric Bigelow , Raphaël Sarfati , Daniel Wurgaft , Owen Lewis , Thomas McGrath , Jack Merullo , Atticus Geiger , Ekdeep Singh Lubana

Transformers have recently revolutionized many domains in modern machine learning and one salient discovery is their remarkable in-context learning capability, where models can solve an unseen task by utilizing task-specific prompts without…

Machine Learning · Computer Science 2023-10-10 Yu Huang , Yuan Cheng , Yingbin Liang

Optimal designs minimize the number of experimental runs (samples) needed to accurately estimate model parameters, resulting in algorithms that, for instance, efficiently minimize parameter estimate variance. Governed by knowledge of past…

Methodology · Statistics 2023-02-03 Nicholas W. Barendregt , Emily G. Webb , Zachary P. Kilpatrick

Fine-tuning pre-trained transformers is a powerful technique for enhancing the performance of base models on specific tasks. From early applications in models like BERT to fine-tuning Large Language Models (LLMs), this approach has been…

Computation and Language · Computer Science 2025-02-25 Suneel Nadipalli