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The Transformer architecture has become widely adopted due to its demonstrated success, attributed to the attention mechanism at its core. Despite these successes, the attention mechanism of Transformers is associated with two well-known…

Machine Learning · Computer Science 2024-10-22 DongNyeong Heo , Heeyoul Choi

In this paper, we present an extension to the recursive Gaussian Process (RGP) regression that enables the satisfaction of inequality constraints and is well suited for a real-time execution in control applications. The soft inequality…

Systems and Control · Electrical Eng. & Systems 2025-10-30 Ricus Husmann , Sven Weishaupt , Harald Aschemann

Gaussian process (GP) models provide a powerful tool for prediction but are computationally prohibitive using large data sets. In such scenarios, one has to resort to approximate methods. We derive an approximation based on a composite…

Machine Learning · Statistics 2018-02-02 Xiuming Liu , Dave Zachariah , Edith C. H. Ngai

Scalable Gaussian process (GP) inference is essential for sequential decision-making tasks, yet improving GP scalability remains a challenging problem with many open avenues of research. This paper focuses on iterative GPs, where iterative…

Machine Learning · Computer Science 2025-11-21 Alan Yufei Dong , Jihao Andreas Lin , José Miguel Hernández-Lobato

Shape assembly, which aims to reassemble separate parts into a complete object, has gained significant interest in recent years. Existing methods primarily rely on networks to predict the poses of individual parts, but often fail to…

Computer Vision and Pattern Recognition · Computer Science 2024-12-03 Jiahan Li , Chaoran Cheng , Jianzhu Ma , Ge Liu

This chapter discusses the importance of incorporating three-dimensional symmetries in the context of statistical learning models geared towards the interpolation of the tensorial properties of atomic-scale structures. We focus on Gaussian…

Chemical Physics · Physics 2019-04-04 Andrea Grisafi , David M. Wilkins , Michael J. Willatt , Michele Ceriotti

Transformer architecture has been very successful long runner in the field of Deep Learning (DL) and Large Language Models (LLM) because of its powerful attention-based learning and parallel-natured architecture. As the models grow gigantic…

Machine Learning · Computer Science 2026-01-21 Phani Kumar , Nyshadham , Jyothendra Varma , Polisetty V R K , Aditya Rathore

Transformers have recently emerged as powerful neural networks for graph learning, showcasing state-of-the-art performance on several graph property prediction tasks. However, these results have been limited to small-scale graphs, where the…

Machine Learning · Computer Science 2023-12-19 Vijay Prakash Dwivedi , Yozen Liu , Anh Tuan Luu , Xavier Bresson , Neil Shah , Tong Zhao

We employ Gaussian process (GP) regression to adjust for systematic errors in D3-type dispersion corrections introducing the associated, statistically improved model D3-GP. We generated a data set containing interaction energies for 1,248…

Chemical Physics · Physics 2019-12-03 Jonny Proppe , Stefan Gugler , Markus Reiher

Gaussian processes (GP) for machine learning have been studied systematically over the past two decades and they are by now widely used in a number of diverse applications. However, GP kernel design and the associated hyper-parameter…

Machine Learning · Computer Science 2020-10-28 Feng Yin , Lishuo Pan , Xinwei He , Tianshi Chen , Sergios Theodoridis , Zhi-Quan , Luo

Non-conjugate Gaussian processes (NCGPs) define a flexible probabilistic framework to model categorical, ordinal and continuous data, and are widely used in practice. However, exact inference in NCGPs is prohibitively expensive for large…

Machine Learning · Computer Science 2025-04-18 Lukas Tatzel , Jonathan Wenger , Frank Schneider , Philipp Hennig

General robot skill adaptation requires expressive representations robust to varying task configurations. While recent learning-based skill adaptation methods refined via Reinforcement Learning (RL), have shown success, existing skill…

Modeling geospatial tabular data with deep learning has become a promising alternative to traditional statistical and machine learning approaches. However, existing deep learning models often face challenges related to scalability and…

Machine Learning · Computer Science 2025-02-24 Rui Deng , Ziqi Li , Mingshu Wang

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 (GP) are widely used for probabilistic modeling and inference for nonparametric regression. However, their computational complexity scales cubicly with the sample size rendering them unfeasible for large data sets. To…

Statistics Theory · Mathematics 2022-05-11 Amine Hadji , Tammo Hesselink , Botond Szabó

Gaussian process (GP) modulated Cox processes are widely used to model point patterns. Existing approaches require a mapping (link function) between the unconstrained GP and the positive intensity function. This commonly yields solutions…

Machine Learning · Statistics 2019-03-01 Andrés F. López-Lopera , ST John , Nicolas Durrande

Machine learning (ML) techniques have recently gained significant attention for solving compliance minimization (CM) problems. However, these methods typically provide poor feature boundaries, are very expensive, and lack a systematic…

Machine Learning · Computer Science 2025-11-06 Xiangyu Sun , Amin Yousefpour , Shirin Hosseinmardi , Ramin Bostanabad

Belonging to the family of Bayesian nonparametrics, Gaussian process (GP) based approaches have well-documented merits not only in learning over a rich class of nonlinear functions, but also in quantifying the associated uncertainty.…

Machine Learning · Statistics 2021-10-14 Qin Lu , Georgios V. Karanikolas , Georgios B. Giannakis

The combination of inducing point methods with stochastic variational inference has enabled approximate Gaussian Process (GP) inference on large datasets. Unfortunately, the resulting predictive distributions often exhibit substantially…

Machine Learning · Statistics 2020-12-29 Martin Jankowiak , Geoff Pleiss , Jacob R. Gardner

Multi-output Gaussian process (MOGP) regression allows modelling dependencies among multiple correlated response variables. Similarly to standard Gaussian processes, MOGPs are sensitive to model misspecification and outliers, which can…