Felix Strieth-Kalthoff

According to our database, Felix Strieth-Kalthoff authored at least 8 papers between 2022 and 2025.

Collaborative distances:

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

2025

One Set to Rule Them All: How to Obtain General Chemical Conditions via Bayesian Optimization over Curried Functions.

Stefan P. Schmid, Ella M. Rajaonson, Cher Tian Ser, Mohammad Haddadnia, Shi Xuan Leong, Alán Aspuru-Guzik, Agustinus Kristiadi, Kjell Jorner, Felix Strieth-Kalthoff

CoRR, February, 2025

BoTier: Multi-Objective Bayesian Optimization with Tiered Composite Objectives.

Mohammad Haddadnia, Leonie Grashoff, Felix Strieth-Kalthoff

CoRR, January, 2025

Efficient Evolutionary Search Over Chemical Space with Large Language Models.

Haorui Wang, Marta Skreta, Cher Tian Ser, Wenhao Gao, Lingkai Kong, Felix Strieth-Kalthoff, Chenru Duan, Yuchen Zhuang, Yue Yu, Yanqiao Zhu, Yuanqi Du, Alán Aspuru-Guzik, Kirill Neklyudov, Chao Zhang

Proceedings of the Thirteenth International Conference on Learning Representations, 2025

2024

How to do impactful research in artificial intelligence for chemistry and materials science.

Austin H. Cheng, Cher Tian Ser, Marta Skreta, Andrés Guzmán-Cordero, Luca A. Thiede, Andreas Burger, Abdulrahman Aldossary, Shi Xuan Leong, Sergio Pablo-García, Felix Strieth-Kalthoff, Alán Aspuru-Guzik

CoRR, 2024

How Useful is Intermittent, Asynchronous Expert Feedback for Bayesian Optimization?

Agustinus Kristiadi, Felix Strieth-Kalthoff, Sriram Ganapathi Subramanian, Vincent Fortuin, Pascal Poupart, Geoff Pleiss

CoRR, 2024

A Sober Look at LLMs for Material Discovery: Are They Actually Good for Bayesian Optimization Over Molecules?

Agustinus Kristiadi, Felix Strieth-Kalthoff, Marta Skreta, Pascal Poupart, Alán Aspuru-Guzik, Geoff Pleiss

Proceedings of the Forty-first International Conference on Machine Learning, 2024

2023

GAUCHE: A Library for Gaussian Processes in Chemistry.

Ryan-Rhys Griffiths, Leo Klarner, Henry B. Moss, Aditya Ravuri, Sang Truong, Yuanqi Du, Samuel Stanton, Gary Tom, Bojana Rankovic, Arian Rokkum Jamasb, Aryan Deshwal, Julius Schwartz, Austin Tripp, Gregory Kell, Simon Frieder, Anthony Bourached, Alex Chan, Jacob Moss, Chengzhi Guo, Johannes Peter Dürholt, Saudamini Chaurasia, Ji Won Park, Felix Strieth-Kalthoff, Alpha A. Lee, Bingqing Cheng, Alán Aspuru-Guzik, Philippe Schwaller, Jian Tang

Proceedings of the Advances in Neural Information Processing Systems 36: Annual Conference on Neural Information Processing Systems 2023, 2023

2022

SELFIES and the future of molecular string representations.

Mario Krenn, Qianxiang Ai, Senja Barthel, Nessa Carson, Angelo Frei, Nathan C. Frey, Pascal Friederich, Théophile Gaudin, Alberto Alexander Gayle, Kevin Maik Jablonka, Rafael F. Lameiro, Dominik Lemm, Alston Lo, Seyed Mohamad Moosavi, José Manuel Nápoles-Duarte, AkshatKumar Nigam, Robert Pollice, Kohulan Rajan, Ulrich Schatzschneider, Philippe Schwaller, Marta Skreta, Berend Smit, Felix Strieth-Kalthoff, Chong Sun, Gary Tom, Guido Falk von Rudorff, Andrew Wang, Andrew D. White, Adamo Young, Rose Yu, Alán Aspuru-Guzik

Patterns, 2022