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We investigate uncertainties in the estimation of the Hubble constant ($H_0$) arising from Gaussian Process (GP) reconstruction, demonstrating that the choice of kernel introduces systematic variations comparable to those arising from…

Cosmology and Nongalactic Astrophysics · Physics 2025-10-07 Ruchika , Purba Mukherjee , Arianna Favale

Despite a large corpus of recent work on scaling up Gaussian processes, a stubborn trade-off between computational speed, prediction and uncertainty quantification accuracy, and customizability persists. This is because the vast majority of…

Machine Learning · Computer Science 2025-12-09 Marcus M. Noack , Mark D. Risser , Hengrui Luo , Vardaan Tekriwal , Ronald J. Pandolfi

Deep Gaussian processes (DGPs) provide a rich class of models that can better represent functions with varying regimes or sharp changes, compared to conventional GPs. In this work, we propose a novel inference method for DGPs for computer…

Machine Learning · Statistics 2022-08-18 Deyu Ming , Daniel Williamson , Serge Guillas

Gaussian process (GP) regression provides a flexible, nonparametric framework for probabilistic modeling, yet remains computationally demanding in large-scale applications. For one-dimensional data, state space (SS) models achieve…

Machine Learning · Statistics 2025-11-07 Liang Ding , Rui Tuo , Lu Zhou

Predicting the labels of graph-structured data is crucial in scientific applications and is often achieved using graph neural networks (GNNs). However, when data is scarce, GNNs suffer from overfitting, leading to poor performance.…

Machine Learning · Computer Science 2025-05-19 Mathieu Alain , So Takao , Xiaowen Dong , Bastian Rieck , Emmanuel Noutahi

Deep neural networks have achieved remarkable performance in retrieval-based dialogue systems, but they are shown to be ill calibrated. Though basic calibration methods like Monte Carlo Dropout and Ensemble can calibrate well, these methods…

Computation and Language · Computer Science 2023-03-16 Tong Ye , Zhitao Li , Jianzong Wang , Ning Cheng , Jing Xiao

Deep sequence recognition (DSR) models receive increasing attention due to their superior application to various applications. Most DSR models use merely the target sequences as supervision without considering other related sequences,…

Computer Vision and Pattern Recognition · Computer Science 2023-06-01 Zhenghua Peng , Yu Luo , Tianshui Chen , Keke Xu , Shuangping Huang

Scientific and engineering problems often require the use of artificial intelligence to aid understanding and the search for promising designs. While Gaussian processes (GP) stand out as easy-to-use and interpretable learners, they have…

Machine Learning · Computer Science 2021-07-01 Liwei Wang , Suraj Yerramilli , Akshay Iyer , Daniel Apley , Ping Zhu , Wei Chen

Gaussian processes (GPs) have gained popularity as flexible machine learning models for regression and function approximation with an in-built method for uncertainty quantification. However, GPs suffer when the amount of training data is…

Machine Learning · Statistics 2025-11-26 Jonas Latz , Aretha L. Teckentrup , Simon Urbainczyk

Operator learning offers a powerful paradigm for solving parametric partial differential equations (PDEs), but scaling probabilistic neural operators such as the recently proposed Gaussian Processes Operators (GPOs) to high-dimensional,…

Machine Learning · Statistics 2025-06-23 Sawan Kumar , Tapas Tripura , Rajdip Nayek , Souvik Chakraborty

Recent advances in machine learning have demonstrated an enormous utility of deep learning approaches, particularly Graph Neural Networks (GNNs) for materials science. These methods have emerged as powerful tools for high-throughput…

Computational Physics · Physics 2025-05-23 Junchi Liu , Ying Tang , Sergei Tretiak , Wenhui Duan , Liujiang Zhou

Several machine learning problems arising in natural language processing can be modeled as a sequence labeling problem. We provide Gaussian process models based on pseudo-likelihood approximation to perform sequence labeling. Gaussian…

Machine Learning · Computer Science 2016-09-22 P. K. Srijith , P. Balamurugan , Shirish Shevade

Gaussian processes (GPs) are Bayesian nonparametric generative models that provide interpretability of hyperparameters, admit closed-form expressions for training and inference, and are able to accurately represent uncertainty. To model…

Machine Learning · Statistics 2018-03-21 Gonzalo Rios , Felipe Tobar

Recent advance of large scale similarity search involves using deeply learned representations to improve the search accuracy and use vector quantization methods to increase the search speed. However, how to learn deep representations that…

Computer Vision and Pattern Recognition · Computer Science 2016-11-01 Shicong Liu , Hongtao Lu

We present a Gaussian Process - Latent Class Choice Model (GP-LCCM) to integrate a non-parametric class of probabilistic machine learning within discrete choice models (DCMs). Gaussian Processes (GPs) are kernel-based algorithms that…

Econometrics · Economics 2023-08-02 Georges Sfeir , Filipe Rodrigues , Maya Abou-Zeid

One obstacle to the use of Gaussian processes (GPs) in large-scale problems, and as a component in deep learning system, is the need for bespoke derivations and implementations for small variations in the model or inference. In order to…

Machine Learning · Statistics 2020-03-04 Mark van der Wilk , Vincent Dutordoir , ST John , Artem Artemev , Vincent Adam , James Hensman

Interpreting complex neural networks is crucial for understanding their decision-making processes, particularly in applications where transparency and accountability are essential. This proposed method addresses this need by focusing on…

Neural and Evolutionary Computing · Computer Science 2024-12-10 Deepshikha Bhati , Fnu Neha , Md Amiruzzaman , Angela Guercio , Deepak Kumar Shukla , Ben Ward

Many applications in speech, robotics, finance, and biology deal with sequential data, where ordering matters and recurrent structures are common. However, this structure cannot be easily captured by standard kernel functions. To model such…

Machine Learning · Computer Science 2017-10-06 Maruan Al-Shedivat , Andrew Gordon Wilson , Yunus Saatchi , Zhiting Hu , Eric P. Xing

Partition of unity networks (POU-Nets) have been shown capable of realizing algebraic convergence rates for regression and solution of PDEs, but require empirical tuning of training parameters. We enrich POU-Nets with a Gaussian noise model…

Machine Learning · Computer Science 2021-07-08 Nat Trask , Mamikon Gulian , Andy Huang , Kookjin Lee

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
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