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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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

计算与语言 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 统计学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

统计力学 · 物理学 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…

机器学习 · 统计学 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…

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…

机器学习 · 计算机科学 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…

计算与语言 · 计算机科学 2024-10-04 Takashi Furuya , Maarten V. de Hoop , Gabriel Peyré