Publications
Solvation Free Energies from Neural Thermodynamic Integration
2025
B. Máté, F. Fleuret and T. Bereau
The Journal of Chemical Physics 162 (12), Editor's Pick
@article{mate2025solvation,
title={Solvation free energies from neural thermodynamic integration},
author={M{\'a}t{\'e}, B{\'a}lint and Fleuret, Fran{\c{c}}ois and Bereau, Tristan},
journal={The Journal of Chemical Physics},
volume={162},
number={12},
year={2025},
publisher={AIP Publishing}
}
Neural Thermodynamic Integration: Free Energies from Energy-based Diffusion Models
2024
B. Máté, F. Fleuret and T. Bereau
The Journal of Physical Chemistry Letters 15 (45)
@article{mate2024neural,
title={Neural thermodynamic integration: Free energies from energy-based diffusion models},
author={Mate, Balint and Fleuret, Francois and Bereau, Tristan},
journal={The Journal of Physical Chemistry Letters},
volume={15},
number={45},
pages={11395--11404},
year={2024},
publisher={ACS Publications}
}
Multi-Lattice Sampling of Quantum Field Theories via Neural Operator-based Flows
2024
B. Máté and F. Fleuret
Machine Learning: Science and Technology 5 (4)
@article{mate2024multi,
title={Multi-lattice sampling of quantum field theories via neural operator-based flows},
author={Mate, Balint and Fleuret, Francois},
journal={Machine Learning: Science and Technology},
volume={5},
number={4},
pages={045053},
year={2024},
publisher={IOP Publishing}
}
Learning Interpolations between Boltzmann Densities
2023
B. Máté and F. Fleuret
Transactions on Machine Learning Research (TMLR)
@article{matelearning,
title={Learning Interpolations between Boltzmann Densities},
author={M{\'a}t{\'e}, B{\'a}lint and Fleuret, Fran{\c{c}}ois},
journal={Transactions on Machine Learning Research}
}
Flowification: Everything is a Normalizing Flow
2022
B. Máté, S. Klein, T. Golling and F. Fleuret
Neural Information Processing Systems (NeurIPS)
@article{mate2022flowification,
title={Flowification: Everything is a normalizing flow},
author={M{\'a}t{\'e}, B{\'a}lint and Klein, Samuel and Golling, Tobias and Fleuret, Fran{\c{c}}ois},
journal={Advances in Neural Information Processing Systems},
volume={35},
pages={35478--35489},
year={2022}
}