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Gaussian process regression (GPR) is a popular nonparametric Bayesian method that provides predictive uncertainty estimates and is widely used in safety-critical applications. While prior research has introduced various uncertainty bounds,…

Machine Learning · Computer Science 2025-12-05 Junyi Liu , Stanley Kok

Frequency response function (FRF) estimation is a classical subject in system identification. In the past two decades, there have been remarkable advances in developing local methods for this subject, e.g., the local polynomial method,…

Systems and Control · Electrical Eng. & Systems 2024-12-31 Xiaozhu Fang , Yu Xu , Tianshi Chen

Learning in Gaussian Process models occurs through the adaptation of hyperparameters of the mean and the covariance function. The classical approach entails maximizing the marginal likelihood yielding fixed point estimates (an approach…

Machine Learning · Statistics 2020-04-07 Vidhi Lalchand , Carl Edward Rasmussen

Multiple change point (MCP) detection in non-stationary time series is challenging due to the variety of underlying patterns. To address these challenges, we propose a novel algorithm that integrates Active Learning (AL) with Deep Gaussian…

Machine Learning · Computer Science 2025-05-28 Hao Zhao , Rong Pan

Modern machine learning approaches often prioritize performance at the cost of increased complexity, computational demands, and reduced interpretability. This paper introduces a novel framework that challenges this trend by reinterpreting…

Machine Learning · Computer Science 2025-02-19 Harikrishnan N B , Anuja Vats , Nithin Nagaraj , Marius Pedersen

Conditional neural processes (CNPs; Garnelo et al., 2018a) are attractive meta-learning models which produce well-calibrated predictions and are trainable via a simple maximum likelihood procedure. Although CNPs have many advantages, they…

Mastering the challenge of predicting properties of unknown materials with multiple principal elements (high entropy alloys/compositionally complex solid solutions) is crucial for the speedup in materials discovery. We show and discuss…

Materials Science · Physics 2024-11-11 Lei Zhang , Lars Banko , Wolfgang Schuhmann , Alfred Ludwig , Markus Stricker

Global sensitivity analysis of complex numerical simulators is often limited by the small number of model evaluations that can be afforded. In such settings, surrogate models built from a limited set of simulations can substantially reduce…

Machine Learning · Statistics 2026-01-21 Guerlain Lambert , Céline Helbert , Claire Lauvernet

We introduce CUTS-GPR, a new method for performing numerically exact Gaussian process regression (GPR) in high-dimensional settings. The key component of CUTS-GPR is an extremely fast kernel matrix-vector product, which exhibits near-linear…

Machine Learning · Computer Science 2026-05-11 Mads Greisen Højlund , August Smart Lykke-Møller , Henry Moss , Ove Christiansen

This paper proposes a receding horizon active learning and control problem for dynamical systems in which Gaussian Processes (GPs) are utilized to model the system dynamics. The active learning objective in the optimization problem is…

Systems and Control · Electrical Eng. & Systems 2021-05-13 Viet-Anh Le , Truong X. Nghiem

Learning dynamical models from data is not only fundamental but also holds great promise for advancing principle discovery, time-series prediction, and controller design. Among various approaches, Gaussian Process State-Space Models…

Machine Learning · Computer Science 2025-10-20 Tengjie Zheng , Haipeng Chen , Lin Cheng , Shengping Gong , Xu Huang

Graph Neural Networks (GNNs) have advanced spatiotemporal forecasting by leveraging relational inductive biases among sensors (or any other measuring scheme) represented as nodes in a graph. However, current methods often rely on Recurrent…

Machine Learning · Computer Science 2024-05-30 Aref Einizade , Fragkiskos D. Malliaros , Jhony H. Giraldo

The accurate prediction of the two-phase heat transfer coefficient (HTC) as a function of working fluids, channel geometries and process conditions is key to the optimal design and operation of compact heat exchangers. Advances in…

Fluid Dynamics · Physics 2023-05-31 Tullio Traverso , Francesco Coletti , Luca Magri , Tassos G. Karayiannis , Omar K. Matar

Continual learning (CL) aims to develop techniques by which a single model adapts to an increasing number of tasks encountered sequentially, thereby potentially leveraging learnings across tasks in a resource-efficient manner. A major…

Machine Learning · Computer Science 2022-04-18 Rishabh Tiwari , Krishnateja Killamsetty , Rishabh Iyer , Pradeep Shenoy

Gaussian process regression is a popular Bayesian framework for surrogate modeling of expensive data sources. As part of a broader effort in scientific machine learning, many recent works have incorporated physical constraints or other a…

Machine Learning · Computer Science 2021-01-07 Laura Swiler , Mamikon Gulian , Ari Frankel , Cosmin Safta , John Jakeman

Multi-model ensemble analysis integrates information from multiple climate models into a unified projection. However, existing integration approaches based on model averaging can dilute fine-scale spatial information and incur bias from…

Applications · Statistics 2023-04-12 Trevor Harris , Bo Li , Ryan Sriver

With the significant advancement in quantum computation in the past couple of decades, the exploration of machine-learning subroutines using quantum strategies has become increasingly popular. Gaussian process regression is a widely used…

Quantum Physics · Physics 2018-03-07 Siddhartha Das , George Siopsis , Christian Weedbrook

Convolved Gaussian Process (CGP) is able to capture the correlations not only between inputs and outputs but also among the outputs. This allows a superior performance of using CGP than standard Gaussian Process (GP) in the modelling of…

Neural and Evolutionary Computing · Computer Science 2017-09-14 Gang Cao , Edmund M-K Lai , Fakhrul Alam

The task of locating first order saddle points on high-dimensional surfaces describing the variation of energy as a function of atomic coordinates is an essential step for identifying the mechanism and estimating the rate of thermally…

Chemical Physics · Physics 2025-07-24 Rohit Goswami , Maxim Masterov , Satish Kamath , Alejandro Peña-Torres , Hannes Jónsson

Causal representation learning (CRL) aims to identify the underlying latent variables from high-dimensional observations, even when variables are dependent with each other. We study this problem for latent variables that follow a…

Machine Learning · Statistics 2026-04-16 Danru Xu , Sébastien Lachapelle , Sara Magliacane
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