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Gaussian process regression networks (GPRN) are powerful Bayesian models for multi-output regression, but their inference is intractable. To address this issue, existing methods use a fully factorized structure (or a mixture of such…

Machine Learning · Computer Science 2020-05-19 Shibo Li , Wei Xing , Mike Kirby , Shandian Zhe

Many practical applications of multi-objective optimization (MOO), including engineering design, autonomous systems, and machine learning, often yield complex Pareto frontiers (e.g., discontinuous, degenerate, or non-convex), which pose…

Machine Learning · Computer Science 2026-03-31 Phuong Mai Dinh , Van-Nam Huynh

We introduce a kernel approximation strategy that enables computation of the Gaussian process log marginal likelihood and all hyperparameter derivatives in $\mathcal{O}(p)$ time. Our GRIEF kernel consists of $p$ eigenfunctions found using a…

Machine Learning · Statistics 2018-08-02 Trefor W. Evans , Prasanth B. Nair

Due to the increasing demand for high performance and cost reduction within the framework of complex system design, numerical optimization of computationally costly problems is an increasingly popular topic in most engineering fields. In…

Optimization and Control · Mathematics 2018-06-12 Julien Pelamatti , Loïc Brevault , Mathieu Balesdent , El-Ghazali Talbi , Yannick Guerin

Neural operators are a type of deep architecture that learns to solve (i.e. learns the nonlinear solution operator of) partial differential equations (PDEs). The current state of the art for these models does not provide explicit…

Machine Learning · Computer Science 2022-08-03 Emilia Magnani , Nicholas Krämer , Runa Eschenhagen , Lorenzo Rosasco , Philipp Hennig

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

Solving partial differential equations (PDEs) efficiently and accurately remains a cornerstone challenge in science and engineering, especially for problems involving complex geometries and limited labeled data. We introduce a Physics- and…

Machine Learning · Computer Science 2025-08-14 Subhankar Sarkar , Souvik Chakraborty

Gaussian processes (GPs) are a popular class of Bayesian nonparametric models, but its training can be computationally burdensome for massive training datasets. While there has been notable work on scaling up these models for big data,…

Methodology · Statistics 2023-11-16 Kevin Li , Simon Mak

Koopman Operator Theory has opened the doors to data-driven learning of globally linear representations of complex nonlinear systems. However, current methodologies for Koopman Operator discovery struggle with uncertainty quantification and…

Systems and Control · Electrical Eng. & Systems 2025-11-11 Abhigyan Majumdar , Navid Mojahed , Shima Nazari

Most machine learning methods require careful selection of hyper-parameters in order to train a high performing model with good generalization abilities. Hence, several automatic selection algorithms have been introduced to overcome tedious…

Machine Learning · Computer Science 2020-01-17 Raju Ram , Sabine Müller , Franz-Josef Pfreundt , Nicolas R. Gauger , Janis Keuper

Learning PDE dynamics for fluids increasingly relies on neural operators and Transformer-based models, yet these approaches often lack interpretability and struggle with localized, high-frequency structures while incurring quadratic cost in…

Machine Learning · Computer Science 2026-02-26 Zhihao Li , Yu Feng , Zhilu Lai , Wei Wang

Fitting Gaussian Processes (GPs) provides interpretable aleatoric uncertainty quantification for estimation of spatio-temporal fields. Spatio-temporal deep learning models, while scalable, typically assume a simplistic independent…

Machine Learning · Statistics 2025-10-27 Brandon R. Feng , David Keetae Park , Xihaier Luo , Arantxa Urdangarin , Shinjae Yoo , Brian J. Reich

Machine learning solvers for partial differential equations (PDEs) have attracted growing interest. However, most existing approaches, such as neural network solvers, rely on stochastic training, which is inefficient and typically requires…

Machine Learning · Computer Science 2026-03-27 Qiwei Yuan , Zhitong Xu , Yinghao Chen , Yiming Xu , Houman Owhadi , Shandian Zhe

Calibrating the confidence of neural network classifiers is essential for quantifying the reliability of their predictions during inference. However, conventional Gaussian Process (GP) calibration methods often fail to capture the internal…

Machine Learning · Computer Science 2025-07-23 Kyung-hwan Lee , Kyung-tae Kim

Gaussian processes (GPs) are important probabilistic tools for inference and learning in spatio-temporal modelling problems such as those in climate science and epidemiology. However, existing GP approximations do not simultaneously support…

Machine Learning · Computer Science 2021-06-21 Will Tebbutt , Arno Solin , Richard E. Turner

We introduce the concept of numerical Gaussian processes, which we define as Gaussian processes with covariance functions resulting from temporal discretization of time-dependent partial differential equations. Numerical Gaussian processes,…

Machine Learning · Statistics 2017-03-31 Maziar Raissi , Paris Perdikaris , George Em Karniadakis

The growing field of large-scale time domain astronomy requires methods for probabilistic data analysis that are computationally tractable, even with large datasets. Gaussian Processes are a popular class of models used for this purpose…

Instrumentation and Methods for Astrophysics · Physics 2017-11-15 Daniel Foreman-Mackey , Eric Agol , Sivaram Ambikasaran , Ruth Angus

Current methods for stochastic hyperparameter learning in Gaussian Processes (GPs) rely on approximations, such as computing biased stochastic gradients or using inducing points in stochastic variational inference. However, when using such…

Machine Learning · Computer Science 2025-08-29 Neta Shoham , Haim Avron

Group Relative Policy Optimization (GRPO) has emerged as a promising approach for improving the reasoning capabilities of large language models. However, it struggles to effectively balance the tradeoff between exploration and exploitation…

Computation and Language · Computer Science 2026-05-13 Cheng Wang , Qin Liu , Wenxuan Zhou , Muhao Chen

We propose a representation of Gaussian processes (GPs) based on powers of the integral operator defined by a kernel function, we call these stochastic processes integral Gaussian processes (IGPs). Sample paths from IGPs are functions…

Machine Learning · Statistics 2019-03-08 Zilong Tan , Sayan Mukherjee