Patrick Rinke

According to our database, Patrick Rinke authored at least 11 papers between 2007 and 2026.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2026

Bayesian Optimization for Mixed-Variable Problems in the Natural Sciences.

Yuhao Zhang, Ti John, Matthias Stosiek, Patrick Rinke

CoRR, April, 2026

2024

Active Learning of Molecular Data for Task-Specific Objectives.

Kunal Ghosh, Milica Todorovic, Aki Vehtari, Patrick Rinke

CoRR, 2024

Learning relevant contextual variables within Bayesian optimization.

Julien Martinelli, Ayush Bharti, Armi Tiihonen, S. T. John, Louis Filstroff, Sabina J. Sloman, Patrick Rinke, Samuel Kaski

Proceedings of the Uncertainty in Artificial Intelligence, 2024

2023

Time-frequency component of the GreenX library: minimax grids for efficient RPA and \textit{GW} calculations.

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

J. Open Source Softw., October, 2023

Exploring the Conformers of an Organic Molecule on a Metal Cluster with Bayesian Optimization.

Lincan Fang, Xiaomi Guo, Milica Todorovic, Patrick Rinke, Xi Chen

J. Chem. Inf. Model., February, 2023

2021

Efficient hyperparameter tuning for kernel ridge regression with Bayesian optimization.

Annika Stuke, Patrick Rinke, Milica Todorovic

Mach. Learn. Sci. Technol., 2021

2020

DScribe: Library of descriptors for machine learning in materials science.

Lauri Himanen, Marc O. J. Jäger, Eiaki V. Morooka, Filippo Federici Canova, Yashasvi S. Ranawat, David Z. Gao, Patrick Rinke, Adam S. Foster

Comput. Phys. Commun., 2020

Projective Preferential Bayesian Optimization.

Petrus Mikkola, Milica Todorovic, Jari Järvi, Patrick Rinke, Samuel Kaski

Proceedings of the 37th International Conference on Machine Learning, 2020

2017

Lattice dynamics calculations based on density-functional perturbation theory in real space.

Honghui Shang, Christian Carbogno, Patrick Rinke, Matthias Scheffler

Comput. Phys. Commun., 2017

2015

Hybrid functionals for large periodic systems in an all-electron, numeric atom-centered basis framework.

Sergey V. Levchenko, Xinguo Ren, Jürgen Wieferink, Rainer Johanni, Patrick Rinke, Volker Blum, Matthias Scheffler

Comput. Phys. Commun., 2015

2007

Dielectric anisotropy in the GW space-time method.

Christoph Freysoldt, Philipp Eggert, Patrick Rinke, Arno Schindlmayr, R. W. Godby, Matthias Scheffler

Comput. Phys. Commun., 2007