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Gaussian processes (GPs) are ubiquitous tools for modeling and predicting continuous processes in physical and engineering sciences. This is partly due to the fact that one may employ a Gaussian process as an interpolator while facilitating…

Statistics Theory · Mathematics 2025-12-16 D. Andrew Brown , Peter Kiessler , John Nicholson

Recent advances in Deep Gaussian Processes (DGPs) show the potential to have more expressive representation than that of traditional Gaussian Processes (GPs). However, there exists a pathology of deep Gaussian processes that their learning…

Machine Learning · Computer Science 2020-12-22 Anh Tong , Jaesik Choi

Learning-based simulators show great potential for simulating particle dynamics when 3D groundtruth is available, but per-particle correspondences are not always accessible. The development of neural rendering presents a new solution to…

Computer Vision and Pattern Recognition · Computer Science 2024-10-14 Jiaxu Wang , Jingkai Sun , Junhao He , Ziyi Zhang , Qiang Zhang , Mingyuan Sun , Renjing Xu

In decision-making systems, it is important to have classifiers that have calibrated uncertainties, with an optimisation objective that can be used for automated model selection and training. Gaussian processes (GPs) provide uncertainty…

Machine Learning · Statistics 2020-03-05 Vincent Dutordoir , Mark van der Wilk , Artem Artemev , James Hensman

As a fundamental mathmatical tool in many engineering disciplines, coupled differential equation groups are being widely used to model complex structures containing multiple physical quantities. Engineers constantly adjust structural…

Machine Learning · Computer Science 2023-06-26 Wenhao Ding , Qing He , Hanghang Tong , Qingjing Wang , Ping Wang

High-dimensional PDEs have been a longstanding computational challenge. We propose to solve high-dimensional PDEs by approximating the solution with a deep neural network which is trained to satisfy the differential operator, initial…

Mathematical Finance · Quantitative Finance 2018-10-17 Justin Sirignano , Konstantinos Spiliopoulos

Learned graph neural networks (GNNs) have recently been established as fast and accurate alternatives for principled solvers in simulating the dynamics of physical systems. In many application domains across science and engineering,…

Machine Learning · Computer Science 2022-06-03 Qingqing Zhao , David B. Lindell , Gordon Wetzstein

Solving time-dependent Partial Differential Equations (PDEs) using a densely discretized spatial domain is a fundamental problem in various scientific and engineering disciplines, including modeling climate phenomena and fluid dynamics.…

Machine Learning · Computer Science 2025-10-24 Jan Hagnberger , Daniel Musekamp , Mathias Niepert

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

Large language models (LLMs) demonstrate remarkable emergent abilities to perform in-context learning across various tasks, including time series forecasting. This work investigates LLMs' ability to estimate probability density functions…

Machine Learning · Computer Science 2025-03-05 Toni J. B. Liu , Nicolas Boullé , Raphaël Sarfati , Christopher J. Earls

Data-driven methods have recently been developed to discover underlying partial differential equations (PDEs) of physical problems. However, for these methods, a complete candidate library of potential terms in a PDE are usually required.…

Neural and Evolutionary Computing · Computer Science 2020-08-26 Hao Xu , Haibin Chang , Dongxiao Zhang

Utilizing machine learning to address partial differential equations (PDEs) presents significant challenges due to the diversity of spatial domains and their corresponding state configurations, which complicates the task of encompassing all…

Machine Learning · Computer Science 2024-05-28 Masanobu Horie , Naoto Mitsume

We present a novel framework combining Deep Operator Networks (DeepONets) with Physics-Informed Neural Networks (PINNs) to solve partial differential equations (PDEs) and estimate their unknown parameters. By integrating data-driven…

Machine Learning · Computer Science 2025-08-05 Amogh Raj , Carol Eunice Gudumotou , Sakol Bun , Keerthana Srinivasa , Arash Sarshar

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…

One of the main challenges in using deep learning-based methods for simulating physical systems and solving partial differential equations (PDEs) is formulating physics-based data in the desired structure for neural networks. Graph neural…

Physics-informed machine learning frameworks such as Physics-Informed Neural Networks (PINNs) and Physics-Informed Extreme Learning Machines (PI-ELMs) have shown great promise for solving partial differential equations (PDEs) but struggle…

Machine Learning · Computer Science 2025-11-25 Vikas Dwivedi , Balaji Srinivasan , Monica Sigovan , Bruno Sixou

Given a data set and a subset of labels the problem of semi-supervised learning on point clouds is to extend the labels to the entire data set. In this paper we extend the labels by minimising the constrained discrete $p$-Dirichlet energy.…

Numerical Analysis · Mathematics 2019-09-24 Oliver M. Crook , Tim Hurst , Carola-Bibiane Schönlieb , Matthew Thorpe , Konstantinos C. Zygalakis

Gaussian Process (GP) kernels are central to Bayesian optimization (BO), yet designing effective kernels for high-dimensional problems still relies on extensive manual engineering. Existing automated approaches struggle in high dimensions…

Machine Learning · Computer Science 2026-05-21 Taeyoung Yun , Woocheol Shin , Inhyuck Song , Jaewoo Lee , Jinkyoo Park

Deep Learning Gaussian Processes (DL-GP) are proposed as a methodology for analyzing (approximating) computer models that produce heteroskedastic and high-dimensional output. Computer simulation models have many areas of applications,…

Applications · Statistics 2022-09-07 Laura Schultz , Vadim Sokolov

Gaussian processes (GPs) are powerful probabilistic models that define flexible priors over functions, offering strong interpretability and uncertainty quantification. However, GP models often rely on simple, stationary kernels which can…

Machine Learning · Computer Science 2025-05-20 Nima Negarandeh , Carlos Mora , Ramin Bostanabad