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Gaussian processes (GPs) defined through intrinsic random fields provide a flexible framework for modeling spatial phenomena, and have been advocated in a variety of applications over the past several decades. Nevertheless, their adoption…

Numerical Analysis · Mathematics 2026-05-19 Christopher Beattie , David Higdon , Leanna House , Colby Stakun-Pickering , Jared Clark

Vectorial Genetic Programming (Vec-GP) extends GP by allowing vectors as input features along regular, scalar features, using them by applying arithmetic operations component-wise or aggregating vectors into scalars by some aggregation…

Neural and Evolutionary Computing · Computer Science 2023-03-07 Philipp Fleck , Stephan Winkler , Michael Kommenda , Michael Affenzeller

Data-driven Model Predictive Control (MPC), where the system model is learned from data with machine learning, has recently gained increasing interests in the control community. Gaussian Processes (GP), as a type of statistical models, are…

Systems and Control · Computer Science 2019-10-03 Truong X. Nghiem

The grammars used in grammar-based Genetic Programming (GP) methods have a significant impact on the quality of the solutions generated since they define the search space by restricting the solutions to its syntax. In this work, we propose…

Neural and Evolutionary Computing · Computer Science 2023-03-20 Jessica Mégane , Nuno Lourenço , Penousal Machado

Probabilistic graphical models (PGMs) have become a popular tool for computational analysis of biological data in a variety of domains. But, what exactly are they and how do they work? How can we use PGMs to discover patterns that are…

Quantitative Methods · Quantitative Biology 2010-02-22 Edoardo M Airoldi

A fundamental computation for statistical inference and accurate decision-making is to compute the marginal probabilities or most probable states of task-relevant variables. Probabilistic graphical models can efficiently represent the…

Machine Learning · Computer Science 2019-06-28 KiJung Yoon , Renjie Liao , Yuwen Xiong , Lisa Zhang , Ethan Fetaya , Raquel Urtasun , Richard Zemel , Xaq Pitkow

We propose graph-based predictable feature analysis (GPFA), a new method for unsupervised learning of predictable features from high-dimensional time series, where high predictability is understood very generically as low variance in the…

Machine Learning · Computer Science 2017-05-12 Björn Weghenkel , Asja Fischer , Laurenz Wiskott

The remarkable growth and significant success of machine learning have expanded its applications into programming languages and program analysis. However, a key challenge in adopting the latest machine learning methods is the representation…

Programming Languages · Computer Science 2023-12-01 Ali TehraniJamsaz , Quazi Ishtiaque Mahmud , Le Chen , Nesreen K. Ahmed , Ali Jannesari

Gaussian processes (GPs) provide a framework for Bayesian inference that can offer principled uncertainty estimates for a large range of problems. For example, if we consider regression problems with Gaussian likelihoods, a GP model enjoys…

Machine Learning · Computer Science 2022-12-21 Felix Leibfried , Vincent Dutordoir , ST John , Nicolas Durrande

This study presents the approach to analyzing the evolution of an arbitrary complex system whose behavior is characterized by a set of different time-dependent factors. The key requirement for these factors is only that they must contain an…

Data Analysis, Statistics and Probability · Physics 2020-12-01 Anatolii V. Mokshin , Vladimir V. Mokshin , Diana A. Mirziyarova

Probabilistic graphical models (PGMs) are tools for solving complex probabilistic relationships. However, suboptimal PGM structures are primarily used in practice. This dissertation presents three contributions to the PGM literature. The…

Machine Learning · Computer Science 2022-05-27 Simon Streicher

This research proposes a flexible Bayesian extension of the composite Gaussian process (CGP) model of Ba and Joseph (2012) for predicting (stationary or) non-stationary $y(\mathbf{x})$. The CGP generalizes the regression plus stationary…

Methodology · Statistics 2019-06-27 Casey B. Davis , Christopher M. Hans , Thomas J. Santner

This paper presents NEUROSPF, a tool for the symbolic analysis of neural networks. Given a trained neural network model, the tool extracts the architecture and model parameters and translates them into a Java representation that is amenable…

Machine Learning · Computer Science 2021-03-02 Muhammad Usman , Yannic Noller , Corina Pasareanu , Youcheng Sun , Divya Gopinath

Predicting protein secondary structure is essential for understanding protein function and advancing drug discovery. However, the intricate sequence-structure relationship poses significant challenges for accurate modeling. To address…

Machine Learning · Computer Science 2026-03-16 Yining Qian , Lijie Su , Meiling Xu , Xianpeng Wang

We introduce a framework for automatically defining and learning deep generative models with problem-specific structure. We tackle problem domains that are more traditionally solved by algorithms such as sorting, constraint satisfaction for…

Machine Learning · Computer Science 2023-06-21 Christian Weilbach , William Harvey , Frank Wood

Gaussian Process (GP) models are often used as mathematical approximations of computationally expensive experiments. Provided that its kernel is suitably chosen and that enough data is available to obtain a reasonable fit of the simulator,…

Machine Learning · Statistics 2011-03-22 Nicolas Durrande , David Ginsbourger , Olivier Roustant

Motivation: Peptide-protein interactions (PepPIs) are central to cellular regulation and peptide therapeutics, but experimental characterization remains too slow for large-scale screening. Existing methods usually emphasize either…

Machine Learning · Computer Science 2026-04-28 Chupei Tang , Junxiao Kong , Moyu Tang , Di Wang , Jixiu Zhai , Ronghao Xie , Shangkun Sima , Tianchi Lu

We derive a Matern Gaussian process (GP) on the vertices of a hypergraph. This enables estimation of regression models of observed or latent values associated with the vertices, in which the correlation and uncertainty estimates are…

Machine Learning · Statistics 2021-06-04 Thomas Pinder , Kathryn Turnbull , Christopher Nemeth , David Leslie

Parallel coordinate plots (PCP) are a useful tool in exploratory data analysis of high-dimensional numerical data. The use of PCPs is limited when working with categorical variables or a mix of categorical and continuous variables. In this…

Graphics · Computer Science 2020-09-29 Yawei Ge , Heike Hofmann

We present a novel approach for explaining Gaussian processes (GPs) that can utilize the full analytical covariance structure present in GPs. Our method is based on the popular solution concept of Shapley values extended to stochastic…

Machine Learning · Statistics 2023-05-25 Siu Lun Chau , Krikamol Muandet , Dino Sejdinovic
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