Daniel Schwalbe-Koda

Publication Activity (10 Years)

Years Active: 2019-2024
Publications (10 Years): 7

Top Topics

Conditional Entropy

Generative Model

Information Theory

Top Venues

Mach. Learn. Sci. Technol.

Publications

Daniel Schwalbe-Koda, Sébastien Hamel, Babak Sadigh, Fei Zhou, Vincenzo Lordi
Information theory unifies atomistic machine learning, uncertainty quantification, and materials thermodynamics. CoRR (2024)
Daniel Schwalbe-Koda
mkite: A distributed computing platform for high-throughput materials simulations. CoRR (2023)
Joshua A. Vita, Daniel Schwalbe-Koda
Data efficiency and extrapolation trends in neural network interatomic potentials. Mach. Learn. Sci. Technol. 4 (3) (2023)
Joshua A. Vita, Daniel Schwalbe-Koda
Data efficiency and extrapolation trends in neural network interatomic potentials. CoRR (2023)
Daniel Schwalbe-Koda, Daniel E. Widdowson, Tuan Anh Pham, Vitaliy A. Kurlin
Inorganic synthesis-structure maps in zeolites with machine learning and crystallographic distances. CoRR (2023)
Daniel Schwalbe-Koda, Aik Rui Tan, Rafael Gómez-Bombarelli
Adversarial Attacks on Uncertainty Enable Active Learning for Neural Network Potentials. CoRR (2021)
Daniel Schwalbe-Koda, Rafael Gómez-Bombarelli
Generative Models for Automatic Chemical Design. CoRR (2019)