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Learning a Bayesian network is an NP-hard problem and with an increase in the number of nodes, classical algorithms for learning the structure of Bayesian networks become inefficient. In recent years, some methods and algorithms for…

Machine Learning · Computer Science 2022-08-23 Yury Kaminsky , Irina Deeva

Sequential Bayesian optimal experimental design (SBOED) for PDE-governed inverse problems is computationally challenging, especially for infinite-dimensional random field parameters. High-fidelity approaches require repeated forward and…

Optimization and Control · Mathematics 2026-01-12 Kaichen Shen , Peng Chen

Real-life statistical samples are often plagued by selection bias, which complicates drawing conclusions about the general population. When learning causal relationships between the variables is of interest, the sample may be assumed to be…

Statistics Theory · Mathematics 2018-11-15 Angelos P. Armen , Robin J. Evans

A representation of the cause-effect mechanism is needed to enable artificial intelligence to represent how the world works. Bayesian Networks (BNs) have proven to be an effective and versatile tool for this task. BNs require constructing a…

Artificial Intelligence · Computer Science 2026-03-18 Joverlyn Gaudillo , Nicole Astrologo , Fabio Stella , Enzo Acerbi , Francesco Canonaco

Active learning has been studied extensively as a method for efficient data collection. Among the many approaches in literature, Expected Error Reduction (EER) (Roy and McCallum) has been shown to be an effective method for active learning:…

Machine Learning · Computer Science 2022-11-18 Stephen Mussmann , Julia Reisler , Daniel Tsai , Ehsan Mousavi , Shayne O'Brien , Moises Goldszmidt

For Bayesian optimization (BO) on high-dimensional data with complex structure, neural network-based kernels for Gaussian processes (GPs) have been used to learn flexible surrogate functions by the high representation power of deep…

Machine Learning · Statistics 2021-11-02 Tomoharu Iwata

Expensive-to-train deep learning models can benefit from an optimization of the hyperparameters that determine the model architecture. We optimize 23 hyperparameters of a materials informatics model, Compositionally-Restricted…

Materials Science · Physics 2023-03-20 Sterling G. Baird , Marianne Liu , Taylor D. Sparks

We address the problem of Bayesian structure learning for domains with hundreds of variables by employing non-parametric bootstrap, recursively. We propose a method that covers both model averaging and model selection in the same framework.…

Machine Learning · Statistics 2018-09-14 Raanan Y. Rohekar , Yaniv Gurwicz , Shami Nisimov , Guy Koren , Gal Novik

One of the most challenging tasks when adopting Bayesian Networks (BNs) is the one of learning their structure from data. This task is complicated by the huge search space of possible solutions, and by the fact that the problem is NP-hard.…

Machine Learning · Computer Science 2018-08-07 Stefano Beretta , Mauro Castelli , Ivo Goncalves , Roberto Henriques , Daniele Ramazzotti

Active learning, an iterative process of selecting the most informative data points for exploration, is crucial for efficient characterization of materials and chemicals property space. Neural networks excel at predicting these properties…

Disordered Systems and Neural Networks · Physics 2025-06-02 Sarah I. Allec , Maxim Ziatdinov

Deep Neural Nets (DNNs) learn latent representations induced by their downstream task, objective function, and other parameters. The quality of the learned representations impacts the DNN's generalization ability and the coherence of the…

Machine Learning · Computer Science 2024-02-13 Nir Weingarten , Zohar Yakhini , Moshe Butman , Ran Gilad-Bachrach

In many settings, such as scientific inference, optimization, and transfer learning, the learner has a well-defined objective, which can be treated as estimation of a target parameter, and no intrinsic interest in characterizing the entire…

Machine Learning · Computer Science 2025-07-23 Sabina J. Sloman , Ayush Bharti , Julien Martinelli , Samuel Kaski

The process of calibrating computer models of natural phenomena is essential for applications in the physical sciences, where plenty of domain knowledge can be embedded into simulations and then calibrated against real observations. Current…

Machine Learning · Computer Science 2025-01-20 Rafael Oliveira , Dino Sejdinovic , David Howard , Edwin V. Bonilla

Concept Bottleneck Models (CBMs) tackle the opacity of neural architectures by constructing and explaining their predictions using a set of high-level concepts. A special property of these models is that they permit concept interventions,…

This study investigates the application of Bayesian Optimization (BO) for the hyperparameter tuning of neural networks, specifically targeting the enhancement of Convolutional Neural Networks (CNN) for image classification tasks. Bayesian…

Machine Learning · Computer Science 2024-10-30 Gabriele Onorato

Adaptive experimentation under unknown network interference requires solving two coupled problems: (i) learning the underlying dynamics of interference among units and (ii) using these dynamics to inform treatment allocation in order to…

Machine Learning · Statistics 2026-05-13 Aidan Gleich , Eric Laber , Alexander Volfovsky

In this paper we propose a Bayesian method for estimating architectural parameters of neural networks, namely layer size and network depth. We do this by learning concrete distributions over these parameters. Our results show that regular…

Machine Learning · Statistics 2019-01-29 Georgi Dikov , Patrick van der Smagt , Justin Bayer

The acquisition of labels for supervised learning can be expensive. To improve the sample efficiency of neural network regression, we study active learning methods that adaptively select batches of unlabeled data for labeling. We present a…

Machine Learning · Statistics 2023-08-02 David Holzmüller , Viktor Zaverkin , Johannes Kästner , Ingo Steinwart

Bayesian optimal experimental design (BOED) provides a powerful, decision-theoretic framework for selecting experiments so as to maximise the expected utility of the data to be collected. In practice, however, its applicability can be…

Machine Learning · Statistics 2026-03-13 Louis Sharrock

Dynamic Bayesian Networks (DBNs), renowned for their interpretability, have become increasingly vital in representing complex stochastic processes in various domains such as gene expression analysis, healthcare, and traffic prediction.…

Machine Learning · Computer Science 2023-12-05 Hui Ouyang , Cheng Chen , Ke Tang
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