Non-equilibrium thermodynamics: from chemical reactions to machine learning

Contribution List

1. Registration and Lunch

4/23/25, 12:00 PM

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

4/23/25, 2:00 PM

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

4/23/25, 2:45 PM

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

4/23/25, 4:00 PM

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

4/23/25, 4:30 PM

8. Posters

4/23/25, 5:00 PM

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

4/24/25, 9:30 AM

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

Luigi Del Debbio (The University of Edinburgh)

4/24/25, 10:15 AM

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

4/24/25, 11:30 AM

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

4/24/25, 12:15 PM

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

4/24/25, 2:00 PM

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

4/24/25, 3:00 PM

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

4/24/25, 4:30 PM

17. Conference Dinner

4/24/25, 7:00 PM

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

4/25/25, 9:30 AM

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

4/25/25, 10:15 AM

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

4/25/25, 10:45 AM

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

4/25/25, 11:45 AM

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

4/25/25, 12:30 PM

24. Lunch and close of workshop

4/25/25, 1:00 PM

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

7. tbc

23. tbc