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Gaussian processes (GPs) are an attractive class of machine learning models because of their simplicity and flexibility as building blocks of more complex Bayesian models. Meanwhile, graph neural networks (GNNs) emerged recently as a…

Machine Learning · Computer Science 2023-02-14 Zehao Niu , Mihai Anitescu , Jie Chen

Deep Gaussian Process (DGP) as a model prior in Bayesian learning intuitively exploits the expressive power in function composition. DGPs also offer diverse modeling capabilities, but inference is challenging because marginalization in…

Machine Learning · Computer Science 2022-08-02 Chi-Ken Lu , Patrick Shafto

While deep neural networks (DNNs) and Gaussian Processes (GPs) are both popularly utilized to solve problems in reinforcement learning, both approaches feature undesirable drawbacks for challenging problems. DNNs learn complex nonlinear…

Machine Learning · Computer Science 2020-04-14 Imène R. Goumiri , Benjamin W. Priest , Michael D. Schneider

Deep neural networks have been shown to be vulnerable to adversarial examples---maliciously crafted examples that can trigger the target model to misbehave by adding imperceptible perturbations. Existing attack methods for k-nearest…

Computer Vision and Pattern Recognition · Computer Science 2019-12-02 Xiaodan Li , Yuefeng Chen , Yuan He , Hui Xue

In this article we consider Bayesian inference associated to deep neural networks (DNNs) and in particular, trace-class neural network (TNN) priors which can be preferable to traditional DNNs as (a) they are identifiable and (b) they…

Computation · Statistics 2025-05-06 Neil K. Chada , Ajay Jasra , Kody J. H. Law , Sumeetpal S. Singh

While deep learning has achieved remarkable success across a wide range of applications, its theoretical understanding of representation learning remains limited. Deep neural kernels provide a principled framework to interpret…

Machine Learning · Computer Science 2025-11-11 Yong-Ming Tian , Shuang Liang , Shao-Qun Zhang , Feng-Lei Fan

This paper addresses the scalability problem of Bayesian deep neural networks. The performance of deep neural networks is undermined by the fact that these algorithms have poorly calibrated measures of uncertainty. This restricts their…

Machine Learning · Computer Science 2021-04-20 Sam Maksoud , Kun Zhao , Can Peng , Brian C. Lovell

It has long been known that a single-layer fully-connected neural network with an i.i.d. prior over its parameters is equivalent to a Gaussian process (GP), in the limit of infinite network width. This correspondence enables exact Bayesian…

Kernel-based subspace clustering, which addresses the nonlinear structures in data, is an evolving area of research. Despite noteworthy progressions, prevailing methodologies predominantly grapple with limitations relating to (i) the…

Machine Learning · Computer Science 2025-01-22 Kunpeng Xu , Lifei Chen , Shengrui Wang

Deep Gaussian processes (DGPs) are multi-layer hierarchical generalisations of Gaussian processes (GPs) and are formally equivalent to neural networks with multiple, infinitely wide hidden layers. DGPs are probabilistic and non-parametric…

For Bayesian optimization (BO) on high-dimensional data with complex structure, neural network-based kernels for Gaussian processes (GPs) have been used to learn flexible surrogate functions by the high representation power of deep…

Machine Learning · Statistics 2021-11-02 Tomoharu Iwata

Deep kernel learning combines the non-parametric flexibility of kernel methods with the inductive biases of deep learning architectures. We propose a novel deep kernel learning model and stochastic variational inference procedure which…

Machine Learning · Statistics 2016-11-03 Andrew Gordon Wilson , Zhiting Hu , Ruslan Salakhutdinov , Eric P. Xing

Various Graph Neural Networks (GNNs) have been successful in analyzing data in non-Euclidean spaces, however, they have limitations such as oversmoothing, i.e., information becomes excessively averaged as the number of hidden layers…

Machine Learning · Computer Science 2024-01-23 Jaeyoon Sim , Sooyeon Jeon , InJun Choi , Guorong Wu , Won Hwa Kim

It is challenging to guide neural network (NN) learning with prior knowledge. In contrast, many known properties, such as spatial smoothness or seasonality, are straightforward to model by choosing an appropriate kernel in a Gaussian…

Machine Learning · Computer Science 2024-02-29 Ziyang Jiang , Tongshu Zheng , Yiling Liu , David Carlson

Gaussian Processes (GPs) are known to provide accurate predictions and uncertainty estimates even with small amounts of labeled data by capturing similarity between data points through their kernel function. However traditional GP kernels…

Machine Learning · Computer Science 2021-11-16 Ankur Mallick , Chaitanya Dwivedi , Bhavya Kailkhura , Gauri Joshi , T. Yong-Jin Han

Recent work has focused on combining kernel methods and deep learning to exploit the best of the two approaches. Here, we introduce a new architecture of neural networks in which we replace the top dense layers of standard convolutional…

Machine Learning · Computer Science 2019-12-02 Luc Giffon , Stéphane Ayache , Thierry Artières , Hachem Kadri

Due to its causal semantics, Bayesian networks (BN) have been widely employed to discover the underlying data relationship in exploratory studies, such as brain research. Despite its success in modeling the probability distribution of…

Computer Vision and Pattern Recognition · Computer Science 2015-06-24 Luping Zhou , Lei Wang , Lingqiao Liu , Philip Ogunbona , Dinggang Shen

Exploration of complex high-dimensional spaces presents significant challenges in fields such as molecular discovery, process optimization, and supply chain management. Genetic Algorithms (GAs), while offering significant power for creating…

Machine Learning · Computer Science 2025-12-01 Mani Valleti , Aditya Raghavan , Sergei V. Kalinin

Deep graph neural networks (GNNs) have been shown to be expressive for modeling graph-structured data. Nevertheless, the over-stacked architecture of deep graph models makes it difficult to deploy and rapidly test on mobile or embedded…

Machine Learning · Computer Science 2022-05-25 Huarui He , Jie Wang , Zhanqiu Zhang , Feng Wu

The Linearized Laplace Approximation (LLA) has been recently used to perform uncertainty estimation on the predictions of pre-trained deep neural networks (DNNs). However, its widespread application is hindered by significant computational…

Machine Learning · Statistics 2024-05-24 Luis A. Ortega , Simón Rodríguez Santana , Daniel Hernández-Lobato