Non-equilibrium thermodynamics: from chemical reactions to machine learning
from
Wednesday 23 April 2025 (12:00)
to
Friday 25 April 2025 (13:35)
Monday 21 April 2025
Tuesday 22 April 2025
Wednesday 23 April 2025
12:00
Registration and Lunch
Registration and Lunch
12:00 - 14:00
Room: Room 4305
14:00
Ginestra Bianconi (Queen Mary University of London) - Topology shapes dynamics of higher-order networks
Ginestra Bianconi (Queen Mary University of London) - Topology shapes dynamics of higher-order networks
14:00 - 14:45
Room: Room 4305
14:45
Alexander Dack (Imperial College London) - Recurrent neural chemical reaction networks that approximate arbitrary dynamics
Alexander Dack (Imperial College London) - Recurrent neural chemical reaction networks that approximate arbitrary dynamics
14:45 - 15:15
Room: Room 4305
15:15
Break
Break
15:15 - 16:00
Room: Room 4305
16:00
Graeme Ackland (University of Edinburgh) - Solubility of methanol in water
Graeme Ackland (University of Edinburgh) - Solubility of methanol in water
16:00 - 16:30
Room: Room 4305
16:30
Eman Medani (Heriot-Watt university) - Including the Effects of Speciation on the Estimation of the Viscosity of Amine/Water/CO2 Systems
Eman Medani (Heriot-Watt university) - Including the Effects of Speciation on the Estimation of the Viscosity of Amine/Water/CO2 Systems
16:30 - 17:00
Room: Room 4305
17:00
Posters
Posters
17:00 - 18:00
Room: Room 4305
Thursday 24 April 2025
09:30
Francesco Cagnetta (SISSA) - Towards a theory of deep learning for hierarchically compositional data
Francesco Cagnetta (SISSA) - Towards a theory of deep learning for hierarchically compositional data
09:30 - 10:15
Room: Room 4305
10:15
Luigi Del Debbio (University of Edinburgh) - Statistical Field Theory of Neural Networks
-
Luigi Del Debbio
(
The University of Edinburgh
)
Luigi Del Debbio (University of Edinburgh) - Statistical Field Theory of Neural Networks
Luigi Del Debbio
(
The University of Edinburgh
)
10:15 - 11:00
Room: Room 4305
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.
11:00
Break
Break
11:00 - 11:30
Room: Room 4305
11:30
Elisabeth Agoritsas (University of Geneva) - Out-of-equilibrium regimes from driven complex systems to machine-learning
Elisabeth Agoritsas (University of Geneva) - Out-of-equilibrium regimes from driven complex systems to machine-learning
11:30 - 12:15
Room: Room 4305
12:15
Fabian Thiemann (IBM) - Force-free Molecular Dynamics for Efficient long-timescale simulations
Fabian Thiemann (IBM) - Force-free Molecular Dynamics for Efficient long-timescale simulations
12:15 - 13:00
Room: Room 4305
13:00
Lunch
Lunch
13:00 - 14:00
Room: Room 4305
14:00
Sarah Loos (University of Cambridge) - Thermodynamics and optimal control of small-scale processes with memory
Sarah Loos (University of Cambridge) - Thermodynamics and optimal control of small-scale processes with memory
14:00 - 15:00
Room: Room 4305
15:00
Emanuele Penocchio (Northwestern University) - Nonequilibrium thermodynamics of molecular ratchets
Emanuele Penocchio (Northwestern University) - Nonequilibrium thermodynamics of molecular ratchets
15:00 - 16:00
Room: Room 4305
16:00
Coffee
Coffee
16:00 - 16:30
Room: Room 4305
16:30
Roberto Covino (Goethe-University Frankfurt) – Using short out-of-equilibrium trajectories for learning free energy and rates of rare molecular events
Roberto Covino (Goethe-University Frankfurt) – Using short out-of-equilibrium trajectories for learning free energy and rates of rare molecular events
16:30 - 17:15
Room: Room 4305
19:00
Conference Dinner
Conference Dinner
19:00 - 21:00
Room: Scotch Whisky Experience
Friday 25 April 2025
09:30
Matteo DeGiacomi (University of Edinburgh) - Learning (from) protein dynamics
Matteo DeGiacomi (University of Edinburgh) - Learning (from) protein dynamics
09:30 - 10:15
Room: Room 4305
10:15
Paweł Dąbrowski-Tumański (Cardinal Wyszynski University in Warsaw) - Transformer model in understanding knot topology
Paweł Dąbrowski-Tumański (Cardinal Wyszynski University in Warsaw) - Transformer model in understanding knot topology
10:15 - 10:45
Room: Room 4305
10:45
Auro Varat Patnaik (University of Edinburgh) - Zero-shot Adaptation of Drug Diffusion Model for Fragment Elaboration
Auro Varat Patnaik (University of Edinburgh) - Zero-shot Adaptation of Drug Diffusion Model for Fragment Elaboration
10:45 - 11:15
Room: Room 4305
11:15
Break
Break
11:15 - 11:45
Room: Room 4305
11:45
Shuntaro Amano (University of Strasbourg) - Synthesis and Analysis of Life-like Systems out of Equilibrium
Shuntaro Amano (University of Strasbourg) - Synthesis and Analysis of Life-like Systems out of Equilibrium
11:45 - 12:30
Room: Room 4305
12:30
Alessia Guadagnin Pattaro (University of Trento) - Analysis of protein folding through the combination of transition path theory and informative low-resolution representations
Alessia Guadagnin Pattaro (University of Trento) - Analysis of protein folding through the combination of transition path theory and informative low-resolution representations
12:30 - 13:00
Room: Room 4305
13:00
Lunch and close of workshop
Lunch and close of workshop
13:00 - 13:05