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Symmetric functions, which take as input an unordered, fixed-size set, are known to be universally representable by neural networks that enforce permutation invariance. These architectures only give guarantees for fixed input sizes, yet in…

Machine Learning · Computer Science 2022-10-11 Aaron Zweig , Joan Bruna

Data augmentation is one of the most widely used techniques to improve generalization in modern machine learning, often justified by its ability to promote invariance to label-irrelevant transformations. However, its theoretical role…

Machine Learning · Computer Science 2026-02-17 Abdelali Bouyahia , Frédéric LeBlanc , Mario Marchand

We argue that Transformers are essentially graph-to-graph models, with sequences just being a special case. Attention weights are functionally equivalent to graph edges. Our Graph-to-Graph Transformer architecture makes this ability…

Computation and Language · Computer Science 2023-10-30 James Henderson , Alireza Mohammadshahi , Andrei C. Coman , Lesly Miculicich

Transformers flexibly operate over sets of real-valued vectors representing task-specific entities and their attributes, where each vector might encode one word-piece token and its position in a sequence, or some piece of information that…

Machine Learning · Computer Science 2023-03-14 Cameron Diao , Ricky Loynd

We address two fundamental questions about graph neural networks (GNNs). First, we prove that several important graph properties cannot be computed by GNNs that rely entirely on local information. Such GNNs include the standard message…

Machine Learning · Computer Science 2020-02-17 Vikas K. Garg , Stefanie Jegelka , Tommi Jaakkola

This paper focuses on spectral graph convolutional neural networks (ConvNets), where filters are defined as elementwise multiplication in the frequency domain of a graph. In machine learning settings where the dataset consists of signals…

Machine Learning · Computer Science 2021-06-15 Ron Levie , Wei Huang , Lorenzo Bucci , Michael M. Bronstein , Gitta Kutyniok

We study regularization in the context of small sample-size learning with over-parameterized neural networks. Specifically, we shift focus from architectural properties, such as norms on the network weights, to properties of the internal…

Machine Learning · Computer Science 2021-05-18 Christoph D. Hofer , Florian Graf , Marc Niethammer , Roland Kwitt

Graph transformation that predicts graph transition from one mode to another is an important and common problem. Despite much progress in developing advanced graph transformation techniques in recent years, the fundamental assumption…

Machine Learning · Computer Science 2023-05-25 Shiyu Wang , Guangji Bai , Qingyang Zhu , Zhaohui Qin , Liang Zhao

Large transformers are powerful architectures used for self-supervised data analysis across various data types, including protein sequences, images, and text. In these models, the semantic structure of the dataset emerges from a sequence of…

Machine Learning · Computer Science 2023-10-31 Lucrezia Valeriani , Diego Doimo , Francesca Cuturello , Alessandro Laio , Alessio Ansuini , Alberto Cazzaniga

Large language models exhibit surprising emergent generalization properties, yet also struggle on many simple reasoning tasks such as arithmetic and parity. This raises the question of if and when Transformer models can learn the true…

Machine Learning · Computer Science 2023-10-25 Hattie Zhou , Arwen Bradley , Etai Littwin , Noam Razin , Omid Saremi , Josh Susskind , Samy Bengio , Preetum Nakkiran

Transformers are a type of neural network that have demonstrated remarkable performance across various domains, particularly in natural language processing tasks. Motivated by this success, research on the theoretical understanding of…

Machine Learning · Computer Science 2025-02-18 Naoki Takeshita , Masaaki Imaizumi

Graph neural networks (GNNs) provide state-of-the-art results in a wide variety of tasks which typically involve predicting features at the vertices of a graph. They are built from layers of graph convolutions which serve as a powerful…

Machine Learning · Statistics 2024-11-08 Mauricio Velasco , Kaiying O'Hare , Bernardo Rychtenberg , Soledad Villar

Compression has been a critical lens to understand the success of Transformers. In the past, we have typically taken the target distribution as a criterion to evaluate a model's compression performance. Nevertheless,it often remains…

Machine Learning · Computer Science 2025-04-29 Ruifeng Ren , Yong Liu

Out-of-distribution generalization is one of the key challenges when transferring a model from the lab to the real world. Existing efforts mostly focus on building invariant features among source and target domains. Based on invariant…

Machine Learning · Computer Science 2021-11-03 Guojun Zhang , Han Zhao , Yaoliang Yu , Pascal Poupart

We present a comprehensive and versatile theoretical framework to study site and bond percolation on clustered and correlated random graphs. Our contribution can be summarized in three main points. (i) We introduce a set of iterative…

Statistical Mechanics · Physics 2015-12-16 Antoine Allard , Laurent Hébert-Dufresne , Jean-Gabriel Young , Louis J. Dubé

Convolutional neural networks (CNNs) have achieved breakthrough performances in a wide range of applications including image classification, semantic segmentation, and object detection. Previous research on characterizing the generalization…

Machine Learning · Statistics 2019-10-04 Shan Lin , Jingwei Zhang

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

Deep neural networks often contain far more parameters than training examples, yet they still manage to generalize well in practice. Classical complexity measures such as VC-dimension or PAC-Bayes bounds usually become vacuous in this…

Machine Learning · Computer Science 2025-08-26 Aviral Dhingra

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…

Transformers are deep architectures that define "in-context mappings" which enable predicting new tokens based on a given set of tokens (such as a prompt in NLP applications or a set of patches for a vision transformer). In this work, we…

Computation and Language · Computer Science 2024-10-04 Takashi Furuya , Maarten V. de Hoop , Gabriel Peyré
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