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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…
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…
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…
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…
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,…
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…
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.…
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…
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,…
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…
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…
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)…
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…
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…
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…
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…
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…
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…
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…
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…