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Why good generative models categorize?

Serge Dolgikh

Version 1 posted 20 January 2021

128

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Chemistry

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Metal Cation-Binding Mechanisms of Q-Proline Peptoid Macrocycles in Solution

Matthew Hurley, Justin Northrup, Yunhui Ge, Christian Schafmeister, Vincent Voelz

Version 1 posted 18 January 2021

390

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2

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Chemistry

Working Paper

Empirical optimization of molecular simulation force fields by Bayesian inference

Jürgen Köfinger, Gerhard Hummer

Version 2 posted 10 August 2021

701

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Chemistry

Working Paper

Separating the Effects of Experimental Noise from Inherent System Variability in Voltammetry: The [Fe(CN)_6]^3−/4− Process

Martin Robinson, Alan Bond, Alexandr Simonov, Jie Zhang, David Gavaghan

Version 1 posted 01 October 2018

543

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Chemistry

Working Paper

Electron Transfer Limitation in Carbon Dioxide Reduction Revealed by Data-Driven Tafel Analysis

Steven M. Brown, Michael Orella, Yung Wei Hsiao, Yuriy Román-Leshkov, Yogesh Surendranath, Martin Z. Bazant, Fikile Brushett

Version 1 posted 19 November 2020

1,719

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5

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Chemistry

Working Paper

Bayesian Sequential Stacking Algorithm for Concurrently Designing Molecules and Synthetic Reaction Networks

Qi Zhang, Chang Liu, Stephen Wu, Ryo Yoshida

Version 1 posted 04 April 2022

198

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1

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Chemistry

Working Paper

Model selection using replica averaging with Bayesian inference of conformational populations

Robert M. Raddi, Tim Marshall, Yunhui Ge, Vincent Voelz

Version 1 posted 16 August 2023

270

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Chemistry

Working Paper

Leveraging graphical models to enhance in situ analyte identification via multiple voltammetric techniques

Alexis Fenton, Jr., Fikile Brushett

Version 2 posted 22 February 2023

152

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Chemistry

Working Paper

Using voltammetry augmented with physics-based modeling and Bayesian hypothesis testing to identify analytes in electrolyte solutions

Alexis Fenton, Jr., Fikile Brushett

Version 3 posted 23 August 2021

746

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Chemistry

Working Paper

BICePs v2.0: Software for Ensemble Reweighting using Bayesian Inference of Conformational Populations

Robert Raddi, Yunhui Ge, Vincent Voelz

Version 1 posted 17 October 2022

174

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13 results in Bayesian inference in Keywords: Bayesian inference

Why good generative models categorize?

Metal Cation-Binding Mechanisms of Q-Proline Peptoid Macrocycles in Solution

Empirical optimization of molecular simulation force fields by Bayesian inference

Separating the Effects of Experimental Noise from Inherent System Variability in Voltammetry: The [Fe(CN)_6]^3−/4− Process

Electron Transfer Limitation in Carbon Dioxide Reduction Revealed by Data-Driven Tafel Analysis

Bayesian Sequential Stacking Algorithm for Concurrently Designing Molecules and Synthetic Reaction Networks

Model selection using replica averaging with Bayesian inference of conformational populations

Leveraging graphical models to enhance in situ analyte identification via multiple voltammetric techniques

Using voltammetry augmented with physics-based modeling and Bayesian hypothesis testing to identify analytes in electrolyte solutions

BICePs v2.0: Software for Ensemble Reweighting using Bayesian Inference of Conformational Populations

13 results in Keywords: Bayesian inference