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Physics-informed machine learning typically integrates physical priors into the learning process by minimizing a loss function that includes both a data-driven term and a partial differential equation (PDE) regularization. Building on the…

Machine Learning · Statistics 2025-09-23 Nathan Doumèche , Francis Bach , Gérard Biau , Claire Boyer

Deep kernel learning (DKL) leverages the connection between Gaussian process (GP) and neural networks (NN) to build an end-to-end, hybrid model. It combines the capability of NN to learn rich representations under massive data and the…

Machine Learning · Statistics 2020-08-20 Haitao Liu , Yew-Soon Ong , Xiaomo Jiang , Xiaofang Wang

Inferring parameters of high-dimensional partial differential equations (PDEs) poses significant computational and inferential challenges, primarily due to the curse of dimensionality and the inherent limitations of traditional numerical…

Computational Engineering, Finance, and Science · Computer Science 2025-09-18 Weihao Yan , Christoph Brune , Mengwu Guo

Physically informed neural networks (PINNs) are a promising emerging method for solving differential equations. As in many other deep learning approaches, the choice of PINN design and training protocol requires careful craftsmanship. Here,…

Machine Learning · Statistics 2023-10-09 Inbar Seroussi , Asaf Miron , Zohar Ringel

Deep kernel learning (DKL) and related techniques aim to combine the representational power of neural networks with the reliable uncertainty estimates of Gaussian processes. One crucial aspect of these models is an expectation that, because…

Machine Learning · Statistics 2021-07-08 Sebastian W. Ober , Carl E. Rasmussen , Mark van der Wilk

Combining Gaussian processes with the expressive power of deep neural networks is commonly done nowadays through deep kernel learning (DKL). Unfortunately, due to the kernel optimization process, this often results in losing their Bayesian…

Machine Learning · Computer Science 2023-05-16 Idan Achituve , Gal Chechik , Ethan Fetaya

Gaussian process regression (GPR) has been a well-known machine learning method for various applications such as uncertainty quantifications (UQ). However, GPR is inherently a data-driven method, which requires sufficiently large dataset.…

Machine Learning · Computer Science 2023-05-03 Cheng Chang , Tieyong Zeng

Many physics-informed machine learning methods for PDE-based problems rely on Gaussian processes (GPs) or neural networks (NNs). However, both face limitations when data are scarce and the dimensionality is high. Although GPs are known for…

Machine Learning · Computer Science 2025-01-31 Weihao Yan , Christoph Brune , Mengwu Guo

Gaussian processes are flexible function approximators, with inductive biases controlled by a covariance kernel. Learning the kernel is the key to representation learning and strong predictive performance. In this paper, we develop…

Machine Learning · Computer Science 2019-10-31 Gregory W. Benton , Wesley J. Maddox , Jayson P. Salkey , Julio Albinati , Andrew Gordon Wilson

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

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

Deep Kernel Learning (DKL) combines the representational power of neural networks with the uncertainty quantification of Gaussian Processes. Hence, it is potentially a promising tool to learn and control complex dynamical systems. In this…

Systems and Control · Electrical Eng. & Systems 2024-03-14 Robert Reed , Luca Laurenti , Morteza Lahijanian

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

We present a novel class of Physics-Informed Neural Networks that is formulated based on the principles of Evidential Deep Learning, where the model incorporates uncertainty quantification by learning parameters of a higher-order…

Machine Learning · Computer Science 2025-01-28 Hai Siong Tan , Kuancheng Wang , Rafe McBeth

We introduce scalable deep kernels, which combine the structural properties of deep learning architectures with the non-parametric flexibility of kernel methods. Specifically, we transform the inputs of a spectral mixture base kernel with a…

Machine Learning · Computer Science 2015-11-09 Andrew Gordon Wilson , Zhiting Hu , Ruslan Salakhutdinov , Eric P. Xing

The convergence of statistical learning and molecular physics is transforming our approach to modeling biomolecular systems. Physics-informed machine learning (PIML) offers a systematic framework that integrates data-driven inference with…

Biomolecules · Quantitative Biology 2025-11-11 Aaryesh Deshpande

Deep kernel learning refers to a Gaussian process that incorporates neural networks to improve the modelling of complex functions. We present a method that makes this approach feasible for problems where the data consists of line integral…

Machine Learning · Statistics 2019-09-05 Carl Jidling , Johannes Hendriks , Thomas B. Schön , Adrian Wills

Differential equations are involved in modeling many engineering problems. Many efforts have been devoted to solving differential equations. Due to the flexibility of neural networks, Physics Informed Neural Networks (PINNs) have recently…

Computational Engineering, Finance, and Science · Computer Science 2025-09-22 Siyuan Yang , Cheng Song , Zhilu Lai , Wenjia Wang

Physics-informed machine learning (PIML) has emerged as a promising alternative to conventional numerical methods for solving partial differential equations (PDEs). PIML models are increasingly built via deep neural networks (NNs) whose…

Machine Learning · Computer Science 2024-09-30 Carlos Mora , Amin Yousefpour , Shirin Hosseinmardi , Ramin Bostanabad

Physics informed neural networks (PINNs) have emerged as a powerful tool to provide robust and accurate approximations of solutions to partial differential equations (PDEs). However, PINNs face serious difficulties and challenges when…

Machine Learning · Computer Science 2023-07-11 Rajat Arora
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