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Even though Bayesian neural networks offer a promising framework for modeling uncertainty, active learning and incorporating prior physical knowledge, few applications of them can be found in the context of interatomic force modeling. One…

Chemical Physics · Physics 2023-04-10 Tim Rensmeyer , Benjamin Craig , Denis Kramer , Oliver Niggemann

In M-open problems where no true model can be conceptualized, it is common to back off from modeling and merely seek good prediction. Even in M-complete problems, taking a predictive approach can be very useful. Stacking is a model…

Statistics Theory · Mathematics 2016-02-17 Tri Le , Bertrand Clarke

Continuous-time Bayesian networks is a natural structured representation language for multicomponent stochastic processes that evolve continuously over time. Despite the compact representation, inference in such models is intractable even…

Artificial Intelligence · Computer Science 2012-05-14 Ido Cohn , Tal El-Hay , Nir Friedman , Raz Kupferman

Driven by the critical needs of biomanufacturing 4.0, we introduce a probabilistic knowledge graph hybrid model characterizing the risk- and science-based understanding of bioprocess mechanisms. It can faithfully capture the important…

Machine Learning · Statistics 2022-10-03 Wei Xie , Keqi Wang , Hua Zheng , Ben Feng

Decoding complex relationships among large numbers of variables with relatively few observations is one of the crucial issues in science. One approach to this problem is Gaussian graphical modeling, which describes conditional independence…

Methodology · Statistics 2019-04-26 A. Mohammadi , E. C. Wit

Modeling the associations between real world entities from their multivariate cross-sectional profiles can provide cues into the concerted working of these entities as a system. Several techniques have been proposed for deciphering these…

Machine Learning · Computer Science 2025-01-07 Radha Nagarajan , Marco Scutari

As observations and student models become complex, educational assessments that exploit advances in technology and cognitive psychology can outstrip familiar testing models and analytic methods. Within the Portal conceptual framework for…

Artificial Intelligence · Computer Science 2013-01-30 Robert Mislevy , Russell Almond , Duanli Yan , Linda S. Steinberg

Neural networks (NN) have become almost ubiquitous with image classification, but in their standard form produce point estimates, with no measure of confidence. Bayesian neural networks (BNN) provide uncertainty quantification (UQ) for NN…

Image and Video Processing · Electrical Eng. & Systems 2023-08-15 Daniel Ries , Jason Adams , Joshua Zollweg

This article presents MCTS-BN, an adaptation of the Monte Carlo Tree Search (MCTS) algorithm for the structural learning of Bayesian Networks (BNs). Initially designed for game tree exploration, MCTS has been repurposed to address the…

Machine Learning · Computer Science 2025-02-04 Jorge D. Laborda , Pablo Torrijos , José M. Puerta , José A. Gámez

interpretable, and well understood models that are routinely employed even though, as is revealed through prior and posterior predictive checks, these can poorly characterise the spatial heterogeneity in the underlying process of interest.…

Machine Learning · Statistics 2024-04-08 Andrew Zammit-Mangion , Michael D. Kaminski , Ba-Hien Tran , Maurizio Filippone , Noel Cressie

We present a Bayesian nonparametric system reliability model which scales well and provides a great deal of flexibility in modeling. The Bayesian approach naturally handles the disparate amounts of component and subsystem data that may…

Methodology · Statistics 2022-03-22 Richard L. Warr , Jeremy M. Meyer , Jackson T. Curtis

The Markov Chain Monte Carlo method is the dominant paradigm for posterior computation in Bayesian analysis. It is common to control computation time by making approximations to the Markov transition kernel. Comparatively little attention…

Computation · Statistics 2017-08-30 James E. Johndrow , Jonathan C. Mattingly , Sayan Mukherjee , David Dunson

Bayesian hierarchical modeling is a popular approach to capturing unobserved heterogeneity across individual units. However, standard estimation methods such as Markov chain Monte Carlo (MCMC) can be impracticable for modeling outcomes from…

Methodology · Statistics 2014-11-04 Michael Braun , Paul Damien

Classifier chain (CC) is a multi-label learning approach that constructs a sequence of binary classifiers according to a label order. Each classifier in the sequence is responsible for predicting the relevance of one label. When training…

Machine Learning · Computer Science 2019-08-07 Ran Wang , Suhe Ye , Ke Li , Sam Kwong

Learning graphical models from data is an important problem with wide applications, ranging from genomics to the social sciences. Nowadays datasets often have upwards of thousands---sometimes tens or hundreds of thousands---of variables and…

Machine Learning · Statistics 2019-11-26 Bryon Aragam , Jiaying Gu , Qing Zhou

Bayesian inference provides a methodology for parameter estimation and uncertainty quantification in machine learning and deep learning methods. Variational inference and Markov Chain Monte-Carlo (MCMC) sampling methods are used to…

Machine Learning · Statistics 2024-08-27 Rohitash Chandra , Joshua Simmons

This work presents a novel ensemble of Bayesian Neural Networks (BNNs) for control of safety-critical systems. Decision making for safety-critical systems is challenging due to performance requirements with significant consequences in the…

Robotics · Computer Science 2020-01-10 Keuntaek Lee , Ziyi Wang , Bogdan I. Vlahov , Harleen K. Brar , Evangelos A. Theodorou

Structure and parameters in a Bayesian network uniquely specify the probability distribution of the modeled domain. The locality of both structure and probabilistic information are the great benefits of Bayesian networks and require the…

Artificial Intelligence · Computer Science 2013-01-30 Volker Tresp , Michael Haft , Reimar Hofmann

Markov chain Monte Carlo (MCMC) is the predominant tool used in Bayesian parameter estimation for hierarchical models. When the model expands due to an increasing number of hierarchical levels, number of groups at a particular level, or…

Computation · Statistics 2016-06-22 Will Landau , Jarad Niemi

Bayesian networks have been used extensively in diagnostic tasks such as medicine, where they represent the dependency relations between a set of symptoms and a set of diseases. A criticism of this type of knowledge representation is that…

Artificial Intelligence · Computer Science 2013-03-25 Luis Enrique Sucar , Duncan F. Gillies