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Graph Neural Networks (GNNs) have become the standard method for learning from networks across fields ranging from biology to social systems, yet a principled understanding of what enables them to extract meaningful representations, or why…

Machine Learning · Statistics 2026-03-19 Nil Ayday , Mahalakshmi Sabanayagam , Debarghya Ghoshdastidar

A central challenge in understanding generalization is to obtain non-vacuous guarantees that go beyond worst-case complexity over data or weight space. Among existing approaches, PAC-Bayes bounds stand out as they can provide tight,…

Machine Learning · Statistics 2025-10-01 Damien Rouchouse , Antoine Gonon , Rémi Gribonval , Benjamin Guedj

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

We present here a PAC-Bayesian point of view on adaptive supervised classification. Using convex analysis, we show how to get local measures of the complexity of the classification model involving the relative entropy of posterior…

Statistics Theory · Mathematics 2007-06-13 Olivier Catoni

In this work, we study scaling limits of shallow Bayesian neural networks (BNNs) via their connection to Gaussian processes (GPs), with an emphasis on statistical modeling, identifiability, and scalable inference. We first establish a…

Machine Learning · Statistics 2026-02-27 Gracielle Antunes de Araújo , Flávio B. Gonçalves

We explore the link between deep ensembles and Gaussian processes (GPs) through the lens of the Neural Tangent Kernel (NTK): a recent development in understanding the training dynamics of wide neural networks (NNs). Previous work has shown…

Machine Learning · Statistics 2020-10-27 Bobby He , Balaji Lakshminarayanan , Yee Whye Teh

As machine learning applications grow increasingly ubiquitous and complex, they face an increasing set of requirements beyond accuracy. The prevalent approach to handle this challenge is to aggregate a weighted combination of requirement…

Machine Learning · Computer Science 2026-01-07 Aneesh Barthakur , Luiz F. O. Chamon

In this paper, we improve the PAC-Bayesian error bound for linear regression derived in Germain et al. [10]. The improvements are twofold. First, the proposed error bound is tighter, and converges to the generalization loss with a…

Machine Learning · Computer Science 2019-12-09 Vera Shalaeva , Alireza Fakhrizadeh Esfahani , Pascal Germain , Mihaly Petreczky

We investigate the data distribution valuation problem, which aims to quantify the values of data distributions from their samples. This is a recently proposed problem that is related to but different from classical data valuation and can…

Machine Learning · Computer Science 2026-04-08 Cuong N. Nguyen , Cuong V. Nguyen

In recent years, neural networks have revolutionized various domains, yet challenges such as hyperparameter tuning and overfitting remain significant hurdles. Bayesian neural networks offer a framework to address these challenges by…

Machine Learning · Computer Science 2025-12-16 Hayk Amirkhanian , Marco F. Huber

Despite the dominant role of deep models in machine learning, limitations persist, including overconfident predictions, susceptibility to adversarial attacks, and underestimation of variability in predictions. The Bayesian paradigm provides…

Machine Learning · Statistics 2025-06-18 Alisa Sheinkman , Sara Wade

Recent advances in reconstruction methods for inverse problems leverage powerful data-driven models, e.g., deep neural networks. These techniques have demonstrated state-of-the-art performances for several imaging tasks, but they often do…

Computer Vision and Pattern Recognition · Computer Science 2020-10-20 Riccardo Barbano , Chen Zhang , Simon Arridge , Bangti Jin

Fairness concerns are increasingly critical as machine learning models are deployed in high-stakes applications. While existing fairness-aware methods typically intervene at the model level, they often suffer from high computational costs,…

Machine Learning · Computer Science 2025-11-11 Yixuan Zhang , Jiabin Luo , Zhenggang Wang , Feng Zhou , Quyu Kong

Despite enormous successful applications of graph neural networks (GNNs), theoretical understanding of their generalization ability, especially for node-level tasks where data are not independent and identically-distributed (IID), has been…

Machine Learning · Computer Science 2021-12-01 Jiaqi Ma , Junwei Deng , Qiaozhu Mei

Hyperbolic neural networks (HNNs) have demonstrated notable efficacy in representing real-world data with hierarchical structures via exploiting the geometric properties of hyperbolic spaces characterized by negative curvatures. Curvature…

Machine Learning · Computer Science 2025-08-27 Xiaomeng Fan , Yuwei Wu , Zhi Gao , Mehrtash Harandi , Yunde Jia

While a number of knowledge graph representation learning (KGRL) methods have been proposed over the past decade, very few theoretical analyses have been conducted on them. In this paper, we present the first PAC-Bayesian generalization…

Machine Learning · Computer Science 2024-06-04 Jaejun Lee , Minsung Hwang , Joyce Jiyoung Whang

Domain generalization is challenging due to the domain shift and the uncertainty caused by the inaccessibility of target domain data. In this paper, we address both challenges with a probabilistic framework based on variational Bayesian…

Machine Learning · Computer Science 2021-07-16 Zehao Xiao , Jiayi Shen , Xiantong Zhen , Ling Shao , Cees G. M. Snoek

Data sets are growing in complexity thanks to the increasing facilities we have nowadays to both generate and store data. This poses many challenges to machine learning that are leading to the proposal of new methods and paradigms, in order…

Machine Learning · Computer Science 2018-12-04 Irene Córdoba , Concha Bielza , Pedro Larrañaga

We derive generic information-theoretic and PAC-Bayesian generalization bounds involving an arbitrary convex comparator function, which measures the discrepancy between the training and population loss. The bounds hold under the assumption…

Machine Learning · Computer Science 2024-02-22 Fredrik Hellström , Benjamin Guedj

Bayesian neural networks (BNN) and deep ensembles are principled approaches to estimate the predictive uncertainty of a deep learning model. However their practicality in real-time, industrial-scale applications are limited due to their…

Machine Learning · Computer Science 2020-10-27 Jeremiah Zhe Liu , Zi Lin , Shreyas Padhy , Dustin Tran , Tania Bedrax-Weiss , Balaji Lakshminarayanan
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