Non-equilibrium thermodynamics: from chemical reactions to machine learning

Contribution List

1. Registration and Lunch

23/04/2025, 12:00

4. Ginestra Bianconi (Queen Mary University of London) - Topology shapes dynamics of higher-order networks

23/04/2025, 14:00

3. Alexander Dack (Imperial College London) - Recurrent neural chemical reaction networks that approximate arbitrary dynamics

23/04/2025, 14:45

5. Graeme Ackland (University of Edinburgh) - Solubility of methanol in water

23/04/2025, 16:00

6. Eman Medani (Heriot-Watt university) - Including the Effects of Speciation on the Estimation of the Viscosity of Amine/Water/CO2 Systems

23/04/2025, 16:30

8. Posters

23/04/2025, 17:00

9. Francesco Cagnetta (SISSA) - Towards a theory of deep learning for hierarchically compositional data

24/04/2025, 09:30

10. Luigi Del Debbio (University of Edinburgh) - Statistical Field Theory of Neural Networks

Luigi Del Debbio (The University of Edinburgh)

24/04/2025, 10:15

I discuss some recent results about the possibility to describe Machine Learning using Statistical Field Theory. After presenting the foundations of this description, I will focus on the training process using Gradient Descent.

11. Elisabeth Agoritsas (University of Geneva) - Out-of-equilibrium regimes from driven complex systems to machine-learning

24/04/2025, 11:30

12. Fabian Thiemann (IBM) - Force-free Molecular Dynamics for Efficient long-timescale simulations

24/04/2025, 12:15

13. Sarah Loos (University of Cambridge) - Thermodynamics and optimal control of small-scale processes with memory

24/04/2025, 14:00

14. Emanuele Penocchio (Northwestern University) - Nonequilibrium thermodynamics of molecular ratchets

24/04/2025, 15:00

15. Roberto Covino (Goethe-University Frankfurt) – Using short out-of-equilibrium trajectories for learning free energy and rates of rare molecular events

24/04/2025, 16:30

17. Conference Dinner

24/04/2025, 19:00

18. Matteo DeGiacomi (University of Edinburgh) - Learning (from) protein dynamics

25/04/2025, 09:30

19. Paweł Dąbrowski-Tumański (Cardinal Wyszynski University in Warsaw) - Transformer model in understanding knot topology

25/04/2025, 10:15

20. Auro Varat Patnaik (University of Edinburgh) - Zero-shot Adaptation of Drug Diffusion Model for Fragment Elaboration

25/04/2025, 10:45

21. Shuntaro Amano (University of Strasbourg) - Synthesis and Analysis of Life-like Systems out of Equilibrium

25/04/2025, 11:45

22. Alessia Guadagnin Pattaro (University of Trento) - Analysis of protein folding through the combination of transition path theory and informative low-resolution representations

25/04/2025, 12:30

24. Lunch and close of workshop

25/04/2025, 13:00

16. Alexander Dack (Imperial College London) - Recurrent neural chemical reaction networks that approximate arbitrary dynamics

7. tbc

23. tbc