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Recent progress towards universal machine-learned interatomic potentials holds considerable promise for materials discovery. Yet the accuracy of these potentials for predicting phase stability may still be limited. In contrast, cluster…

Materials Science · Physics 2024-05-03 A. Dana , L. Mu , S. Gelin , S. B. Sinnott , I. Dabo

Neural networks with binary weights are computation-efficient and hardware-friendly, but their training is challenging because it involves a discrete optimization problem. Surprisingly, ignoring the discrete nature of the problem and using…

Machine Learning · Computer Science 2020-08-19 Xiangming Meng , Roman Bachmann , Mohammad Emtiyaz Khan

Bayesian methods for learning Gaussian graphical models offer a principled framework for quantifying model uncertainty and incorporating prior knowledge. However, their scalability is constrained by the computational cost of jointly…

Methodology · Statistics 2025-08-28 Reza Mohammadi , Marit Schoonhoven , Lucas Vogels , S. Ilker Birbil

Deep learning-based image reconstruction approaches have demonstrated impressive empirical performance in many imaging modalities. These approaches usually require a large amount of high-quality paired training data, which is often not…

Image and Video Processing · Electrical Eng. & Systems 2022-09-21 Riccardo Barbano , Zeljko Kereta , Andreas Hauptmann , Simon R. Arridge , Bangti Jin

Transfer learning has received a lot of attention in the machine learning community over the last years, and several effective algorithms have been developed. However, relatively little is known about their theoretical properties,…

Machine Learning · Statistics 2014-05-13 Anastasia Pentina , Christoph H. Lampert

We introduce implicit Bayesian neural networks, a simple and scalable approach for uncertainty representation in deep learning. Standard Bayesian approach to deep learning requires the impractical inference of the posterior distribution…

Machine Learning · Statistics 2020-10-27 Trung Trinh , Samuel Kaski , Markus Heinonen

We consider structure discovery of undirected graphical models from observational data. Inferring likely structures from few examples is a complex task often requiring the formulation of priors and sophisticated inference procedures.…

Machine Learning · Statistics 2017-08-04 Eugene Belilovsky , Kyle Kastner , Gaël Varoquaux , Matthew Blaschko

This paper addresses the problem of learning a sparse structure Bayesian network from high-dimensional discrete data. Compared to continuous Bayesian networks, learning a discrete Bayesian network is a challenging problem due to the large…

Machine Learning · Computer Science 2022-09-27 Nazanin Shajoonnezhad , Amin Nikanjam

We describe algorithms for learning Bayesian networks from a combination of user knowledge and statistical data. The algorithms have two components: a scoring metric and a search procedure. The scoring metric takes a network structure,…

Artificial Intelligence · Computer Science 2015-05-19 David Heckerman , Dan Geiger , David Maxwell Chickering

The graph of a Bayesian Network (BN) can be machine learned, determined by causal knowledge, or a combination of both. In disciplines like bioinformatics, applying BN structure learning algorithms can reveal new insights that would…

Artificial Intelligence · Computer Science 2021-02-03 Anthony C. Constantinou , Norman Fenton , Martin Neil

Bayesian networks are basic graphical models, used widely both in statistics and artificial intelligence. These statistical models of conditional independence structure are described by acyclic directed graphs whose nodes correspond to…

Optimization and Control · Mathematics 2010-12-01 Raymond Hemmecke , Silvia Lindner , Milan Studený

Bayesian networks (BNs) are a widely used graphical model in machine learning for representing knowledge with uncertainty. The mainstream BN structure learning methods require performing a large number of conditional independence (CI)…

Machine Learning · Computer Science 2022-12-09 Jiantong Jiang , Zeyi Wen , Ajmal Mian

Bayesian approaches for learning deep neural networks (BNN) have been received much attention and successfully applied to various applications. Particularly, BNNs have the merit of having better generalization ability as well as better…

Machine Learning · Statistics 2023-05-25 Insung Kong , Dongyoon Yang , Jongjin Lee , Ilsang Ohn , Gyuseung Baek , Yongdai Kim

The structure of a Bayesian network includes a great deal of information about the probability distribution of the data, which is uniquely identified given some general distributional assumptions. Therefore it's important to study its…

Methodology · Statistics 2011-12-07 Marco Scutari

This study proposes the first Bayesian approach for learning high-dimensional linear Bayesian networks. The proposed approach iteratively estimates each element of the topological ordering from backward and its parent using the inverse of a…

Machine Learning · Statistics 2023-11-28 Seyong Hwang , Kyoungjae Lee , Sunmin Oh , Gunwoong Park

We present a new method to propagate lower bounds on conditional probability distributions in conventional Bayesian networks. Our method guarantees to provide outer approximations of the exact lower bounds. A key advantage is that we can…

Artificial Intelligence · Computer Science 2012-05-14 Daniel Andrade , Bernhard Sick

Network embedding, which aims to learn low-dimensional representations of nodes, has been used for various graph related tasks including visualization, link prediction and node classification. Most existing embedding methods rely solely on…

Social and Information Networks · Computer Science 2019-08-22 Palash Goyal , Homa Hosseinmardi , Emilio Ferrara , Aram Galstyan

Significant success has been reported recently using deep neural networks for classification. Such large networks can be computationally intensive, even after training is over. Implementing these trained networks in hardware chips with a…

Machine Learning · Statistics 2013-10-25 Daniel Soudry , Ron Meir

Bayesian networks are popular probabilistic models that capture the conditional dependencies among a set of variables. Inference in Bayesian networks is a fundamental task for answering probabilistic queries over a subset of variables in…

Databases · Computer Science 2021-10-08 Martino Ciaperoni , Cigdem Aslay , Aristides Gionis , Michael Mathioudakis

Achieving robust uncertainty quantification for deep neural networks represents an important requirement in many real-world applications of deep learning such as medical imaging where it is necessary to assess the reliability of a neural…

Machine Learning · Computer Science 2024-03-15 Tim Rensmeyer , Oliver Niggemann