Measuring Compositional Generalization: A Comprehensive Method on Realistic Data. - Daniel Keysers; Nathanael Schärli; Nathan Scales; Hylke Buisman; Daniel Furrer; Sergii Kashubin; Nikola Momchev; Danila Sinopalnikov; Lukasz Stafiniak; Tibor Tihon; Dmitry Tsarkov; Xiao Wang 038; et al. (ICLR, 2020)

Continental-Scale Building Detection from High Resolution Satellite Imagery. - Wojciech Sirko; Sergii Kashubin; Marvin Ritter; Abigail Annkah; Yasser Salah Eddine Bouchareb; Yann N. Dauphin; Daniel Keysers; Maxim Neumann; Moustapha Cissé; John Quinn (CoRR, 2021)

Variance Reduction in Deep Learning: More Momentum is All You Need. - Lionel Tondji; Sergii Kashubin; Moustapha Cissé (CoRR, 2021)

Accurate Machine Learned Quantum-Mechanical Force Fields for Biomolecular Simulations. - Oliver T. Unke; Martin Stöhr; Stefan Ganscha; Thomas Unterthiner; Hartmut Maennel; Sergii Kashubin; Daniel Ahlin; Michael Gastegger; Leonardo Medrano Sandonas; Alexandre Tkatchenko; Klaus-Robert Müller (CoRR, 2022)

Data from: The QCML dataset, Quantum chemistry reference data from 33.5M DFT and 14.7B semi-empirical calculations. - Stefan Ganscha; Oliver T. Unke; Daniel Ahlin; Hartmut Maennel; Sergii Kashubin; Klaus-Robert Müller (Zenodo, 2025)

Data from: The QCML dataset, Quantum chemistry reference data from 33.5M DFT and 14.7B semi-empirical calculations. - Stefan Ganscha; Oliver T. Unke; Daniel Ahlin; Hartmut Maennel; Sergii Kashubin; Klaus-Robert Müller (Zenodo, 2025)