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Thermodynamics of Molecular Binding and Clustering in the Atmosphere Revealed through Conventional and ML-Enhanced Umbrella Sampling. [PDF]
Kubečka J +6 more
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Quantum annealing enhanced Markov-Chain Monte Carlo. [PDF]
Arai S, Kadowaki T.
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The Dynamic Connection Layer (DCL): Enhancing Topological Representation in Chemical Graph Neural Networks. [PDF]
Zhang W, Pearson J.
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Adaptive Rejection Sampling for Gibbs Sampling
Applied Statistics, 1992Summary: We propose a method for rejection sampling from any univariate log- concave probability density function. The method is adaptive: as sampling proceeds, the rejection envelope and squeezing function are converge to the density function. The technique is intended for situations where evaluation of the density is computationally expensive, in ...
Gilks, W. R., Wild, P.
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Variable Selection Via Gibbs Sampling
Journal of the American Statistical Association, 1993Abstract A crucial problem in building a multiple regression model is the selection of predictors to include. The main thrust of this article is to propose and develop a procedure that uses probabilistic considerations for selecting promising subsets.
Edward I. George, Robert E. McCulloch
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Capture-Recapture Estimation Via Gibbs Sampling
Biometrika, 1992Summary: Capture-recapture models are widely used in the estimation of population sizes. Based on data augmentation considerations, we show how Gibbs sampling can be applied to calculate Bayes estimates in this setting. As a result, formulations which were previously avoided because of analytical and numerical intractability can now be easily ...
George, Edward I., Robert, Christian P.
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