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Gaussian processes (GPs) can provide a principled approach to uncertainty quantification with easy-to-interpret kernel hyperparameters, such as the lengthscale, which controls the correlation distance of function values. However, selecting…

We present a Gaussian kernel loss function and training algorithm for convolutional neural networks that can be directly applied to both distance metric learning and image classification problems. Our method treats all training features…

Computer Vision and Pattern Recognition · Computer Science 2018-07-03 Benjamin J. Meyer , Ben Harwood , Tom Drummond

Modern deep learning models have achieved great success in predictive accuracy for many data modalities. However, their application to many real-world tasks is restricted by poor uncertainty estimates, such as overconfidence on…

Machine Learning · Statistics 2020-10-16 Ben Adlam , Jaehoon Lee , Lechao Xiao , Jeffrey Pennington , Jasper Snoek

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

Structural kernels are a flexible learning paradigm that has been widely used in Natural Language Processing. However, the problem of model selection in kernel-based methods is usually overlooked. Previous approaches mostly rely on setting…

Computation and Language · Computer Science 2015-08-11 Daniel Beck , Trevor Cohn , Christian Hardmeier , Lucia Specia

We investigate how sparse neural activity affects the generalization performance of a deep Bayesian neural network at the large width limit. To this end, we derive a neural network Gaussian Process (NNGP) kernel with rectified linear unit…

Machine Learning · Computer Science 2023-05-19 Chanwoo Chun , Daniel D. Lee

Neural-net-induced Gaussian process (NNGP) regression inherits both the high expressivity of deep neural networks (deep NNs) as well as the uncertainty quantification property of Gaussian processes (GPs). We generalize the current NNGP to…

Machine Learning · Computer Science 2019-03-27 Guofei Pang , Liu Yang , George Em Karniadakis

The Gaussian Process with a deep kernel is an extension of the classic GP regression model and this extended model usually constructs a new kernel function by deploying deep learning techniques like long short-term memory networks. A…

Computational Finance · Quantitative Finance 2021-05-27 Yong Shi , Wei Dai , Wen Long , Bo Li

Precise probabilistic information about drug-target interaction (DTI) predictions is vital for understanding limitations and boosting predictive performance. Gaussian processes (GP) offer a scalable framework to integrate state-of-the-art…

Machine Learning · Computer Science 2026-01-01 Bence Bolgár , András Millinghoffer , Péter Antal

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…

Machine Learning · Computer Science 2023-11-21 Yunus Cobanoglu

Deep kernel learning aims at designing nonlinear combinations of multiple standard elementary kernels by training deep networks. This scheme has proven to be effective, but intractable when handling large-scale datasets especially when the…

Computer Vision and Pattern Recognition · Computer Science 2018-05-01 Mingyuan Jiu , Hichem Sahbi

Deep Learning (DL) has achieved great success in many real applications. Despite its success, there are some main problems when deploying advanced DL models in database systems, such as hyper-parameters tuning, the risk of overfitting, and…

Databases · Computer Science 2021-07-20 Kangfei Zhao , Jeffrey Xu Yu , Zongyan He , Hao Zhang

We perform a careful, thorough, and large scale empirical study of the correspondence between wide neural networks and kernel methods. By doing so, we resolve a variety of open questions related to the study of infinitely wide neural…

Machine Learning · Computer Science 2020-09-09 Jaehoon Lee , Samuel S. Schoenholz , Jeffrey Pennington , Ben Adlam , Lechao Xiao , Roman Novak , Jascha Sohl-Dickstein

Deep neural networks are increasingly being used for the analysis of medical images. However, most works neglect the uncertainty in the model's prediction. We propose an uncertainty-aware deep kernel learning model which permits the…

Machine Learning · Computer Science 2021-06-11 Zhiliang Wu , Yinchong Yang , Jindong Gu , Volker Tresp

We present a multi-task learning formulation for Deep Gaussian processes (DGPs), through non-linear mixtures of latent processes. The latent space is composed of private processes that capture within-task information and shared processes…

Machine Learning · Statistics 2020-02-25 Ayman Boustati , Theodoros Damoulas , Richard S. Savage

Learning expressive kernels while retaining tractable inference remains a central challenge in scaling Gaussian processes (GPs) to large and complex datasets. We propose a scalable GP regressor based on deep basis kernels (DBKs). Our DBK is…

Machine Learning · Statistics 2026-02-05 Yunqin Zhu , Henry Shaowu Yuchi , Yao Xie

Gaussian process (GP) is a Bayesian model which provides several advantages for regression tasks in machine learning such as reliable quantitation of uncertainty and improved interpretability. Their adoption has been precluded by their…

Machine Learning · Computer Science 2023-06-26 Jonathan Parkinson , Wei Wang

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

Active learning methods for neural networks are usually based on greedy criteria which ultimately give a single new design point for the evaluation. Such an approach requires either some heuristics to sample a batch of design points at one…

Machine Learning · Computer Science 2020-01-28 Evgenii Tsymbalov , Sergei Makarychev , Alexander Shapeev , Maxim Panov

Uncertainty estimation is essential for robust decision-making in the presence of ambiguous or out-of-distribution inputs. Gaussian Processes (GPs) are classical kernel-based models that offer principled uncertainty quantification and…

Machine Learning · Statistics 2026-04-30 Albert Saiapin , Kim Batselier