Non-equilibrium thermodynamics: from chemical reactions to machine learning
from
Wednesday, April 23, 2025 (12:00 PM)
to
Friday, April 25, 2025 (1:35 PM)
Monday, April 21, 2025
Tuesday, April 22, 2025
Wednesday, April 23, 2025
12:00 PM
Registration and Lunch
Registration and Lunch
12:00 PM - 2:00 PM
Room: Room 4305
2:00 PM
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
2:00 PM - 2:45 PM
Room: Room 4305
2:45 PM
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
2:45 PM - 3:15 PM
Room: Room 4305
3:15 PM
Break
Break
3:15 PM - 4:00 PM
Room: Room 4305
4:00 PM
Graeme Ackland (University of Edinburgh) - Solubility of methanol in water
Graeme Ackland (University of Edinburgh) - Solubility of methanol in water
4:00 PM - 4:30 PM
Room: Room 4305
4:30 PM
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
4:30 PM - 5:00 PM
Room: Room 4305
5:00 PM
Posters
Posters
5:00 PM - 6:00 PM
Room: Room 4305
Thursday, April 24, 2025
9:30 AM
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
9:30 AM - 10:15 AM
Room: Room 4305
10:15 AM
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 AM - 11:00 AM
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 AM
Break
Break
11:00 AM - 11:30 AM
Room: Room 4305
11:30 AM
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 AM - 12:15 PM
Room: Room 4305
12:15 PM
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 PM - 1:00 PM
Room: Room 4305
1:00 PM
Lunch
Lunch
1:00 PM - 2:00 PM
Room: Room 4305
2:00 PM
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
2:00 PM - 3:00 PM
Room: Room 4305
3:00 PM
Emanuele Penocchio (Northwestern University) - Nonequilibrium thermodynamics of molecular ratchets
Emanuele Penocchio (Northwestern University) - Nonequilibrium thermodynamics of molecular ratchets
3:00 PM - 4:00 PM
Room: Room 4305
4:00 PM
Coffee
Coffee
4:00 PM - 4:30 PM
Room: Room 4305
4:30 PM
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
4:30 PM - 5:15 PM
Room: Room 4305
7:00 PM
Conference Dinner
Conference Dinner
7:00 PM - 9:00 PM
Room: Scotch Whisky Experience
Friday, April 25, 2025
9:30 AM
Matteo DeGiacomi (University of Edinburgh) - Learning (from) protein dynamics
Matteo DeGiacomi (University of Edinburgh) - Learning (from) protein dynamics
9:30 AM - 10:15 AM
Room: Room 4305
10:15 AM
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 AM - 10:45 AM
Room: Room 4305
10:45 AM
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 AM - 11:15 AM
Room: Room 4305
11:15 AM
Break
Break
11:15 AM - 11:45 AM
Room: Room 4305
11:45 AM
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 AM - 12:30 PM
Room: Room 4305
12:30 PM
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 PM - 1:00 PM
Room: Room 4305
1:00 PM
Lunch and close of workshop
Lunch and close of workshop
1:00 PM - 1:05 PM
Room: Room 4305