Patrick Rinke

12 papers A* 1A 1Journal 10
YearRankTypeTitle / Venue / Authors
2024 J jnl
Active Learning of Molecular Data for Task-Specific Objectives.
CoRR
Kunal Ghosh, Milica Todorovic, Aki Vehtari, Patrick Rinke
2024 A conf
Learning relevant contextual variables within Bayesian optimization.
UAI
Julien Martinelli, Ayush Bharti, Armi Tiihonen, S. T. John, Louis Filstroff, Sabina J. Sloman, Patrick Rinke, Samuel Kaski
2023 J jnl
Exploring the Conformers of an Organic Molecule on a Metal Cluster with Bayesian Optimization.
J. Chem. Inf. Model.
Lincan Fang, Xiaomi Guo, Milica Todorovic, Patrick Rinke, Xi Chen
2023 J jnl
Time-frequency component of the GreenX library: minimax grids for efficient RPA and \textit{GW} calculations.
J. Open Source Softw.
Maryam Azizi, Jan Wilhelm, Dorothea Golze, Matteo Giantomassi, Ramón L. Panadés-Barrueta, Francisco A. Delesma, Alexander Buccheri, Andris Gulans, Patrick Rinke, Claudia Draxl, Xavier Gonze
2021 J jnl
Efficient hyperparameter tuning for kernel ridge regression with Bayesian optimization.
Mach. Learn. Sci. Technol.
Annika Stuke, Patrick Rinke, Milica Todorovic
2020 J jnl
DScribe: Library of descriptors for machine learning in materials science.
Comput. Phys. Commun.
Lauri Himanen, Marc O. J. Jäger, Eiaki V. Morooka, Filippo Federici Canova, Yashasvi S. Ranawat, David Z. Gao, Patrick Rinke, Adam S. Foster
2020 A* conf
Projective Preferential Bayesian Optimization.
ICML
Petrus Mikkola, Milica Todorovic, Jari Järvi, Patrick Rinke, Samuel Kaski
2020 J jnl
Projective Preferential Bayesian Optimization.
CoRR
Petrus Mikkola, Milica Todorovic, Jari Järvi, Patrick Rinke, Samuel Kaski
2019 J jnl
DScribe: Library of Descriptors for Machine Learning in Materials Science.
CoRR
Lauri Himanen, Marc O. J. Jäger, Eiaki V. Morooka, Filippo Federici Canova, Yashasvi S. Ranawat, David Z. Gao, Patrick Rinke, Adam S. Foster
2017 J jnl
Lattice dynamics calculations based on density-functional perturbation theory in real space.
Comput. Phys. Commun.
Honghui Shang, Christian Carbogno, Patrick Rinke, Matthias Scheffler
2015 J jnl
Hybrid functionals for large periodic systems in an all-electron, numeric atom-centered basis framework.
Comput. Phys. Commun.
Sergey V. Levchenko, Xinguo Ren, Jürgen Wieferink, Rainer Johanni, Patrick Rinke, Volker Blum, Matthias Scheffler
2007 J jnl
Dielectric anisotropy in the GW space-time method.
Comput. Phys. Commun.
Christoph Freysoldt, Philipp Eggert, Patrick Rinke, Arno Schindlmayr, R. W. Godby, Matthias Scheffler