Selected Papers
Solvation Free Energies from Neural Thermodynamic Integration
2024
B. Máté, F. Fleuret and T. Bereau
Preprint
@misc{máté2024solvationfreeenergiesneural,
title={Solvation Free Energies from Neural Thermodynamic Integration},
author={Bálint Máté and François Fleuret and Tristan Bereau},
year={2024},
eprint={2410.15815},
archivePrefix={arXiv},
primaryClass={cond-mat.stat-mech},
url={https://arxiv.org/abs/2410.15815},
}
Neural Thermodynamic Integration: Free Energies from Energy-based Diffusion Models
2024
B. Máté, F. Fleuret and T. Bereau
J. Phys. Chem. Lett. 2024, 15, 45, 11395–11404
@article{mate2024neural,
title={Neural Thermodynamic Integration: Free Energies from Energy-Based Diffusion Models},
author={M{\'a}t{\'e}, B{\'a}lint and Fleuret, Fran{\c{c}}ois and Bereau, Tristan},
journal={The Journal of Physical Chemistry Letters},
volume={15},
pages={11395--11404},
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 (in press)
@article{mate2024multi,
title={Multi-Lattice Sampling of Quantum Field Theories via Neural Operators},
author={M{\'a}t{\'e}, B{\'a}lint and Fleuret, Fran{\c{c}}ois},
journal={arXiv preprint arXiv:2401.00828},
year={2024}
}
Learning Interpolations between Boltzmann Densities
2023
B. Máté and F. Fleuret
Transactions on Machine Learning Research (TMLR)
@article{m{\'a}t{\'e}2023learning,
title={Learning Interpolations between Boltzmann Densities},
author={B{\'a}lint M{\'a}t{\'e} and Fran{\c{c}}ois Fleuret},
journal={Transactions on Machine Learning Research},
issn={2835-8856},
year={2023},
url={https://openreview.net/forum?id=TH6YrEcbth},
note={}
}
Flowification: Everything is a Normalizing Flow
2022
B. Máté, S. Klein, T. Golling and F. Fleuret
Advances in Neural Information Processing Systems 35, 35478-35489
@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}
}