Items where Author is "Huang, Bing"

2021

Huang, Bing and von Lilienfeld, O. Anatole. (2021) Ab initio machine learning in chemical compound space. Chemical Reviews, 121 (16). pp. 10001-10036.

2019

Zaspel, Peter and Huang, Bing and Harbrecht, Helmut and von Lilienfeld, O. Anatole. (2019) Boosting Quantum Machine Learning Models with a Multilevel Combination Technique: Pople Diagrams Revisited. Journal of Chemical Theory and Computation, 15 (3). pp. 1546-1559.

Zaspel, Peter and Huang, Bing and Harbrecht, Helmut and von Lilienfeld, Anatole O.. (2019) Boosting quantum machine learning models with multi-level combination technique: Pople diagrams revisited. Journal of Chemical Theory and Computation, 15 (3). pp. 1546-1559.

2018

Faber, Felix A. and Christensen, Anders S. and Huang, Bing and von Lilienfeld, O. Anatole. (2018) Alchemical and structural distribution based representation for improved QML. Journal of Chemical Physics, 148 (24). p. 241717.

Huang, Bing and Symonds, Nadine O. and von Lilienfeld, Anatole. (2018) The fundamentals of quantum machine learning. Handbook of Materials Modeling. pp. 1-27.

2017

Faber, Felix A. and Hutchison, Luke and Huang, Bing and Gilmer, Justin and Schoenholz, Samuel S. and Dahl, George E. and Vinyals, Oriol and Kearnes, Steven and Riley, Patrick F. and von Lilienfeld, O. Anatole. (2017) Prediction Errors of Molecular Machine Learning Models Lower than Hybrid DFT Error. Journal of Chemical Theory and Computation, 13 (11). pp. 5255-5264.

2016

Huang, Bing and von Lilienfeld, O. Anatole. (2016) Communication: Understanding molecular representations in machine learning: The role of uniqueness and target similarity. Journal of Chemical Physics, 145 (16). p. 161102.