2021
DOI: 10.3390/electronics10212627
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A Deep Neural Network Based on ResNet for Predicting Solutions of Poisson–Boltzmann Equation

Abstract: The Poisson–Boltzmann equation (PBE) arises in various disciplines including biophysics, electrochemistry, and colloid chemistry, leading to the need for efficient and accurate simulations of PBE. However, most of the finite difference/element methods developed so far are rather complicated to implement. In this study, we develop a ResNet-based artificial neural network (ANN) to predict solutions of PBE. Our networks are robust with respect to the locations of charges and shapes of solvent–solute interfaces. T… Show more

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Cited by 3 publications
(2 citation statements)
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References 39 publications
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“…It operates in two ways. First, skip connections resolve the vanishing gradient problem by creating a different path for the gradient to use [20]. Secondly, it can also learn an identity function of the model, and thereby, ensure that the model's higher levels do not function any worse than its bottom layer.…”
Section: Introductionmentioning
confidence: 99%
“…It operates in two ways. First, skip connections resolve the vanishing gradient problem by creating a different path for the gradient to use [20]. Secondly, it can also learn an identity function of the model, and thereby, ensure that the model's higher levels do not function any worse than its bottom layer.…”
Section: Introductionmentioning
confidence: 99%
“…However, there have been huge developments in deep learning (DL) communities (see [7][8][9][10][11][12] and the references therein). One of the main advantages of DL-based methods is that once the networks are trained, they can produce predictions of the target variable in real time.…”
Section: Introductionmentioning
confidence: 99%