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We establish connections between the Transformer architecture, originally introduced for natural language processing, and Graph Neural Networks (GNNs) for representation learning on graphs. We show how Transformers can be viewed as message…

Machine Learning · Computer Science 2025-06-30 Chaitanya K. Joshi

Transformer models have consistently achieved remarkable results in various domains such as natural language processing and computer vision. However, despite ongoing research efforts to better understand these models, the field still lacks…

Machine Learning · Computer Science 2024-10-18 Ilya Kaufman , Omri Azencot

We introduce a Graph Transformer framework that serves as a general inverse physics engine on meshes, demonstrated through the challenging task of reconstructing aerodynamic flow fields from sparse surface measurements. While deep learning…

Machine Learning · Computer Science 2025-01-29 Gregory Duthé , Imad Abdallah , Eleni Chatzi

Thanks to the recent development of deep generative models, it is becoming possible to generate high-quality images with both fidelity and diversity. However, the training of such generative models requires a large dataset. To reduce the…

Computer Vision and Pattern Recognition · Computer Science 2019-10-24 Atsuhiro Noguchi , Tatsuya Harada

This paper studies generalization error bounds for Transformer models. Based on the offset Rademacher complexity, we derive sharper generalization bounds for different Transformer architectures, including single-layer single-head,…

Machine Learning · Computer Science 2026-03-24 Yawen Li , Tao Hu , Zhouhui Lian , Wan Tian , Yijie Peng , Huiming Zhang , Zhongyi Li

Minimal problems in computer vision raise the demand of generating efficient automatic solvers for polynomial equation systems. Given a polynomial system repeated with different coefficient instances, the traditional Gr\"obner basis or…

Computer Vision and Pattern Recognition · Computer Science 2020-04-27 Bo Li , Viktor Larsson

Real-world data generation often involves certain geometries (e.g., graphs) that induce instance-level interdependence. This characteristic makes the generalization of learning models more difficult due to the intricate interdependent…

Machine Learning · Computer Science 2024-06-10 Qitian Wu , Fan Nie , Chenxiao Yang , Junchi Yan

Search is an ability foundational in many important tasks, and recent studies have shown that large language models (LLMs) struggle to perform search robustly. It is unknown whether this inability is due to a lack of data, insufficient…

Recent advancements in large pre-trained transformer models (GPT2/3, T5) have found use in program synthesis to generate programs that satisfy a set of input/output examples. However, these models perform poorly on long-horizon and low-data…

Programming Languages · Computer Science 2022-05-20 Jack Roper

In this paper we establish a bridge between Topological Data Analysis and Geometric Deep Learning, adapting the topological theory of group equivariant non-expansive operators (GENEOs) to act on the space of all graphs weighted on vertices…

Combinatorics · Mathematics 2022-09-27 Faraz Ahmad , Massimo Ferri , Patrizio Frosini

The transformer architecture has demonstrated remarkable capabilities in modern artificial intelligence, among which the capability of implicitly learning an internal model during inference time is widely believed to play a key role in the…

Machine Learning · Computer Science 2026-02-10 Zhiheng Chen , Ruofan Wu , Guanhua Fang

Many security and network applications require having large datasets to train the machine learning models. Limited data access is a well-known problem in the security domain. Recent studies have shown the potential of Transformer models to…

Machine Learning · Computer Science 2025-06-10 Yusuf Elnady

Graph pre-training has been concentrated on graph-level tasks involving small graphs (e.g., molecular graphs) or learning node representations on a fixed graph. Extending graph pre-trained models to web-scale graphs with billions of nodes…

Machine Learning · Computer Science 2025-11-07 Yufei He , Zhenyu Hou , Yukuo Cen , Jun Hu , Feng He , Xu Cheng , Jie Tang , Bryan Hooi

A foundation model like GPT elicits many emergent abilities, owing to the pre-training with broad inclusion of data and the use of the powerful Transformer architecture. While foundation models in natural languages are prevalent, can we…

Machine Learning · Computer Science 2025-06-18 Ziyuan Tang , Jie Chen

The universal Gr\"obner basis of an ideal is a Gr\"obner basis with respect to all term orders simultaneously. The aim of this paper is to present an algorithmic approach to compute the universal Gr\"obner basis for the toric ideal…

Commutative Algebra · Mathematics 2019-04-23 Yannis C. Stamatiou , Christos Tatakis

The computation of Gr\"obner bases is an established hard problem. By contrast with many other problems, however, there has been little investigation of whether this hardness is robust. In this paper, we frame and present results on the…

Symbolic Computation · Computer Science 2018-07-18 Gwen Spencer , David Rolnick

Large-scale transformers achieve impressive results on program synthesis benchmarks, yet their true generalization capabilities remain obscured by data contamination and opaque training corpora. To rigorously assess whether models are truly…

Machine Learning · Computer Science 2026-05-01 Henrik Voigt , Michael Habeck , Joachim Giesen

We introduce methods for obtaining pretrained Geometric Neural Operators (GNPs) that can serve as basal foundation models for use in obtaining geometric features. These can be used within data processing pipelines for machine learning tasks…

Machine Learning · Computer Science 2025-04-18 Blaine Quackenbush , Paul J. Atzberger

Graph Transformers (GTs) have demonstrated a strong capability in modeling graph structures by addressing the intrinsic limitations of graph neural networks (GNNs), such as over-smoothing and over-squashing. Recent studies have proposed…

Machine Learning · Computer Science 2025-02-28 Chaohao Yuan , Kangfei Zhao , Ercan Engin Kuruoglu , Liang Wang , Tingyang Xu , Wenbing Huang , Deli Zhao , Hong Cheng , Yu Rong

Mixture models arise in many regression problems, but most methods have seen limited adoption partly due to these algorithms' highly-tailored and model-specific nature. On the other hand, transformers are flexible, neural sequence models…

Machine Learning · Computer Science 2023-11-15 Reese Pathak , Rajat Sen , Weihao Kong , Abhimanyu Das