Search Results - "Mazouin, Bernard"

Selected machine learning of HOMO-LUMO gaps with improved data-efficiency by Mazouin, Bernard, Schöpfer, Alexandre Alain, von Lilienfeld, O. Anatole

“…Despite their relevance for organic electronics, quantum machine learning (QML) models of molecular electronic properties, such as HOMO-LUMO-gaps, often…”
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Selected Machine Learning of HOMO-LUMO gaps with Improved Data-Efficiency by Mazouin, Bernard, Schöpfer, Alexandre Alain, von Lilienfeld, O. Anatole

“…Quantum Machine Learning (QML) models of molecular HOMO-LUMO-gaps often struggle to achieve satisfying data-efficiency as measured by decreasing prediction…”
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