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It is desirable to combine the expressive power of deep learning with Gaussian Process (GP) in one expressive Bayesian learning model. Deep kernel learning showed success in adopting a deep network for feature extraction followed by a GP…

Machine Learning · Computer Science 2021-10-26 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

With the strengths of both deep learning and kernel methods like Gaussian Processes (GPs), Deep Kernel Learning (DKL) has gained considerable attention in recent years. From the computational perspective, however, DKL becomes challenging…

Machine Learning · Computer Science 2025-02-18 Wenyuan Zhao , Haoyuan Chen , Tie Liu , Rui Tuo , Chao Tian

A recent line of works studied wide deep neural networks (DNNs) by approximating them as Gaussian Processes (GPs). A DNN trained with gradient flow was shown to map to a GP governed by the Neural Tangent Kernel (NTK), whereas earlier works…

Machine Learning · Statistics 2021-12-15 Gadi Naveh , Oded Ben-David , Haim Sompolinsky , Zohar Ringel

Deep Gaussian Processes (DGPs) combine the expressiveness of Deep Neural Networks (DNNs) with quantified uncertainty of Gaussian Processes (GPs). Expressive power and intractable inference both result from the non-Gaussian distribution over…

Machine Learning · Computer Science 2020-02-26 Chi-Ken Lu , Scott Cheng-Hsin Yang , Xiaoran Hao , Patrick Shafto

Deep neural networks (DNN) and Gaussian processes (GP) are two powerful models with several theoretical connections relating them, but the relationship between their training methods is not well understood. In this paper, we show that…

Machine Learning · Statistics 2020-07-21 Mohammad Emtiyaz Khan , Alexander Immer , Ehsan Abedi , Maciej Korzepa

Inducing point Gaussian process approximations are often considered a gold standard in uncertainty estimation since they retain many of the properties of the exact GP and scale to large datasets. A major drawback is that they have…

Machine Learning · Computer Science 2022-03-08 Joost van Amersfoort , Lewis Smith , Andrew Jesson , Oscar Key , Yarin Gal

Kernel models of potential energy surfaces (PES) for polyatomic molecules are often restricted by a specific choice of the kernel function. This can be avoided by optimizing the complexity of the kernel function. For regression problems…

Chemical Physics · Physics 2023-05-02 Jun Dai , Roman V. Krems

One major impediment to the wider use of deep learning for clinical decision making is the difficulty of assigning a level of confidence to model predictions. Currently, deep Bayesian neural networks and sparse Gaussian processes are the…

Deep Gaussian process models typically employ discrete hierarchies, but recent advancements in differential Gaussian processes (DiffGPs) have extended these models to infinite depths. However, existing DiffGP approaches often overlook the…

Machine Learning · Computer Science 2025-12-16 Jian Xu , Zhiqi Lin , Min Chen , Junmei Yang , Delu Zeng , John Paisley

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

A key property of neural networks driving their success is their ability to learn features from data. Understanding feature learning from a theoretical viewpoint is an emerging field with many open questions. In this work we capture…

Disordered Systems and Neural Networks · Physics 2024-05-20 Kirsten Fischer , Javed Lindner , David Dahmen , Zohar Ringel , Michael Krämer , Moritz Helias

Deep Gaussian Processes (DGPs) were proposed as an expressive Bayesian model capable of a mathematically grounded estimation of uncertainty. The expressivity of DPGs results from not only the compositional character but the distribution…

Machine Learning · Computer Science 2021-11-23 Chi-Ken Lu , Patrick Shafto

We propose a simple method that combines neural networks and Gaussian processes. The proposed method can estimate the uncertainty of outputs and flexibly adjust target functions where training data exist, which are advantages of Gaussian…

Machine Learning · Statistics 2017-07-20 Tomoharu Iwata , Zoubin Ghahramani

Kernels representing limiting cases of neural network architectures have recently gained popularity. However, the application and performance of these new kernels compared to existing options, such as the Matern kernel, is not well studied.…

Machine Learning · Statistics 2024-10-14 Amanda Muyskens , Benjamin W. Priest , Imene R. Goumiri , Michael D. Schneider

Contemporary deep neural networks exhibit impressive results on practical problems. These networks generalize well although their inherent capacity may extend significantly beyond the number of training examples. We analyze this behavior in…

Machine Learning · Computer Science 2015-09-03 Tamir Hazan , Tommi Jaakkola

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…

Quantum Physics · Physics 2019-05-20 Zhikuan Zhao , Alejandro Pozas-Kerstjens , Patrick Rebentrost , Peter Wittek

Past decades have witnessed a great interest in the distinction and connection between neural network learning and kernel learning. Recent advancements have made theoretical progress in connecting infinite-wide neural networks and Gaussian…

Machine Learning · Computer Science 2025-11-07 Shao-Qun Zhang , Zong-Yi Chen , Yong-Ming Tian , Xun Lu

The growing demand for accurate, efficient, and scalable solutions in computational mechanics highlights the need for advanced operator learning algorithms that can efficiently handle large datasets while providing reliable uncertainty…

Machine Learning · Statistics 2024-09-18 Sawan Kumar , Rajdip Nayek , Souvik Chakraborty

Neural networks with wide layers have attracted significant attention due to their equivalence to Gaussian processes, enabling perfect fitting of training data while maintaining generalization performance, known as benign overfitting.…

Machine Learning · Computer Science 2023-10-18 Tianxiang Gao , Xiaokai Huo , Hailiang Liu , Hongyang Gao