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Bayesian methods in machine learning, such as Gaussian processes, have great advantages com-pared to other techniques. In particular, they provide estimates of the uncertainty associated with a prediction. Extending the Bayesian approach to…

量子物理 · 物理学 2019-05-20 Zhikuan Zhao , Alejandro Pozas-Kerstjens , Patrick Rebentrost , Peter Wittek

For certain infinitely-wide neural networks, the neural tangent kernel (NTK) theory fully characterizes generalization, but for the networks used in practice, the empirical NTK only provides a rough first-order approximation. Still, a…

机器学习 · 计算机科学 2021-10-14 Guillermo Ortiz-Jiménez , Seyed-Mohsen Moosavi-Dezfooli , Pascal Frossard

This work analyzes Graph Neural Networks, a generalization of Fully-Connected Deep Neural Nets on Graph structured data, when their width, that is the number of nodes in each fullyconnected layer is increasing to infinity. Infinite Width…

机器学习 · 计算机科学 2023-11-21 Yunus Cobanoglu

There is a growing amount of literature on the relationship between wide neural networks (NNs) and Gaussian processes (GPs), identifying an equivalence between the two for a variety of NN architectures. This equivalence enables, for…

机器学习 · 统计学 2020-06-19 Jiri Hron , Yasaman Bahri , Jascha Sohl-Dickstein , Roman Novak

Gaussian process (GP) regression is a fundamental tool in Bayesian statistics. It is also known as kriging and is the Bayesian counterpart to the frequentist kernel ridge regression. Most of the theoretical work on GP regression has focused…

Bayesian inference and kernel methods are well established in machine learning. The neural network Gaussian process in particular provides a concept to investigate neural networks in the limit of infinitely wide hidden layers by using…

无序系统与神经网络 · 物理学 2023-11-10 Javed Lindner , David Dahmen , Michael Krämer , Moritz Helias

Currently there exists rather promising new trend in machine leaning (ML) based on the relationship between neural networks (NN) and Gaussian processes (GP), including many related subtopics, e.g., signal propagation in NNs, theoretical…

机器学习 · 计算机科学 2023-03-01 Andrey Demichev , Alexander Kryukov

Despite recent advances in automated machine learning, model selection is still a complex and computationally intensive process. For Gaussian processes (GPs), selecting the kernel is a crucial task, often done manually by the expert.…

机器学习 · 计算机科学 2022-10-24 Matthias Bitzer , Mona Meister , Christoph Zimmer

Gaussian Process Regression is a well-known machine learning technique for which several quantum algorithms have been proposed. We show here that in a wide range of scenarios these algorithms show no exponential speedup. We achieve this by…

量子物理 · 物理学 2025-07-04 Dominic Lowe , M. S. Kim , Roberto Bondesan

Gaussian Processes (GPs) provide a convenient framework for specifying function-space priors, making them a natural choice for modeling uncertainty. In contrast, Bayesian Neural Networks (BNNs) offer greater scalability and extendability…

机器学习 · 计算机科学 2025-06-12 Marcin Sendera , Amin Sorkhei , Tomasz Kuśmierczyk

Graph Convolutional Networks (GCNs) have emerged as powerful tools for learning on network structured data. Although empirically successful, GCNs exhibit certain behaviour that has no rigorous explanation -- for instance, the performance of…

机器学习 · 计算机科学 2023-11-07 Mahalakshmi Sabanayagam , Pascal Esser , Debarghya Ghoshdastidar

Neural bandits have been shown to provide an efficient solution to practical sequential decision tasks that have nonlinear reward functions. The main contributor to that success is approximate Bayesian inference, which enables neural…

机器学习 · 计算机科学 2022-10-11 Michal Lisicki , Arash Afkanpour , Graham W. Taylor

Gaussian processes (GPs) are the most common formalism for defining probability distributions over spaces of functions. While applications of GPs are myriad, a comprehensive understanding of GP sample paths, i.e. the function spaces over…

机器学习 · 计算机科学 2026-01-06 Nathaël Da Costa , Marvin Pförtner , Lancelot Da Costa , Philipp Hennig

Gaussian process regression has proven very powerful in statistics, machine learning and inverse problems. A crucial aspect of the success of this methodology, in a wide range of applications to complex and real-world problems, is…

统计理论 · 数学 2021-03-18 Yifan Chen , Houman Owhadi , Andrew M. Stuart

This note is devoted to the comparison between two Nearest-neighbor Gaussian processes (NNGP) based models: the response NNGP model and the latent NNGP model. We exhibit that the comparison based on the Kullback-Leibler divergence (KL-D)…

统计理论 · 数学 2018-11-12 Lu Zhang , Sudipto Banerjee

Gaussian processes have become a popular tool for nonparametric regression because of their flexibility and uncertainty quantification. However, they often use stationary kernels, which limit the expressiveness of the model and may be…

机器学习 · 计算机科学 2025-07-17 Zachary James , Joseph Guinness

Kernels on graphs have had limited options for node-level problems. To address this, we present a novel, generalized kernel for graphs with node feature data for semi-supervised learning. The kernel is derived from a regularization…

机器学习 · 计算机科学 2022-11-29 Yin-Cong Zhi , Felix L. Opolka , Yin Cheng Ng , Pietro Liò , Xiaowen Dong

Gaussian processes (GPs) are widely used in nonparametric regression, classification and spatio-temporal modeling, motivated in part by a rich literature on theoretical properties. However, a well known drawback of GPs that limits their use…

统计方法学 · 统计学 2011-06-29 Anjishnu Banerjee , David Dunson , Surya Tokdar

While graph kernels (GKs) are easy to train and enjoy provable theoretical guarantees, their practical performances are limited by their expressive power, as the kernel function often depends on hand-crafted combinatorial features of…

机器学习 · 计算机科学 2019-11-05 Simon S. Du , Kangcheng Hou , Barnabás Póczos , Ruslan Salakhutdinov , Ruosong Wang , Keyulu Xu

Recent years have witnessed an increasing interest in the correspondence between infinitely wide networks and Gaussian processes. Despite the effectiveness and elegance of the current neural network Gaussian process theory, to the best of…

机器学习 · 计算机科学 2022-07-06 Shao-Qun Zhang , Fei Wang , Feng-Lei Fan