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O. Anatole von Lilienfeld

Data-Error Scaling in Machine Learning on Natural Discrete Combinatorial Mutation-prone Sets: Case Studies on Peptides and Small Molecules

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May 08, 2024
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Encrypted machine learning of molecular quantum properties

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Dec 22, 2022
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Neural networks and kernel ridge regression for excited states dynamics of CH$_2$NH$_2^+$: From single-state to multi-state representations and multi-property machine learning models

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Dec 18, 2019
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Constant Size Molecular Descriptors For Use With Machine Learning

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Jan 23, 2017
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Machine learning for many-body physics: efficient solution of dynamical mean-field theory

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Jun 29, 2015
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Machine learning for many-body physics: The case of the Anderson impurity model

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Nov 02, 2014
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Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning

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Sep 12, 2011
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