5 papers
Controlled Langevin Dynamics for Sampling of Feedforward Neural Networks Trained with Minibatches
Alessandro Zambon, Francesca Caruso, Riccardo Zecchina +1
Sampling the parameter space of artificial neural networks according to a Boltzmann distribution provides insight into the geometry of low-loss solutions and offers an alternative…
The standard coil or globule phases cannot describe the denatured state of structured proteins and intrinsically disordered proteins
F. Righini, G. Potel, R. Capelli +1
The concepts of globule and random coil were developed to describe the phases of homopolymers and then used to characterize the denatured state of structured cytosolic proteins and…
Sampling the space of solutions of an artificial neural network
Alessandro Zambon, Enrico M. Malatesta, Guido Tiana +1
The weight space of an artificial neural network can be systematically explored using tools from statistical mechanics. We employ a combination of a hybrid Monte Carlo algorithm wh…
Length-dependent residence time of contacts in simple polymeric models
E. Marchi, G. Tiana
Starting from the reported experimental evidence that the residence time of contacts between the ends of biopolymers is length dependent, we investigate the kinetics of contact bre…
Predicting the binding of small molecules to proteins through invariant representation of the molecular structure
R. Beccaria, A. Lazzeri, G. Tiana
We present a computational scheme for predicting the ligands that bind to a pocket of known structure. It is based on the generation of a general abstract representation of the mol…