Alert button
Picture for Milo Roucairol

Milo Roucairol

Alert button

Solving the HP model with Nested Monte Carlo Search

Jan 25, 2023
Milo Roucairol, Tristan Cazenave

Figure 1 for Solving the HP model with Nested Monte Carlo Search
Figure 2 for Solving the HP model with Nested Monte Carlo Search

In this paper we present a new Monte Carlo Search (MCS) algorithm for finding the ground state energy of proteins in the HP-model. We also compare it briefly to other MCS algorithms not usually used on the HP-model and provide an overview of the algorithms used on HP-model. The algorithm presented in this paper does not beat state of the art algorithms, see PERM (Hsu and Grassberger 2011), REMC (Thachuk, Shmygelska, and Hoos 2007) or WLRE (W\"ust and Landau 2012) for better results. Hsu, H.-P.; and Grassberger, P. 2011. A review of Monte Carlo simulations of polymers with PERM. Journal of Statistical Physics, 144 (3): 597 to 637. Thachuk, C.; Shmygelska, A.; and Hoos, H. H. 2007. A replica exchange Monte Carlo algorithm for protein folding in the HP model. BMC Bioinformatics, 8(1): 342. W\"ust, T.; and Landau, D. P. 2012. Optimized Wang-Landau sampling of lattice polymers: Ground state search and folding thermodynamics of HP model proteins. The Journal of Chemical Physics, 137(6): 064903.

* Accepted to AAAI's workshop AI2ASE 2023: 2nd Annual AAAI Workshop on AI to Accelerate Science and Engineering. 6 pages, 1 for references 
Viaarxiv icon

Refutation of Spectral Graph Theory Conjectures with Monte Carlo Search

Jul 04, 2022
Milo Roucairol, Tristan Cazenave

Figure 1 for Refutation of Spectral Graph Theory Conjectures with Monte Carlo Search
Figure 2 for Refutation of Spectral Graph Theory Conjectures with Monte Carlo Search
Figure 3 for Refutation of Spectral Graph Theory Conjectures with Monte Carlo Search
Figure 4 for Refutation of Spectral Graph Theory Conjectures with Monte Carlo Search

We demonstrate how Monte Carlo Search (MCS) algorithms, namely Nested Monte Carlo Search (NMCS) and Nested Rollout Policy Adaptation (NRPA), can be used to build graphs and find counter-examples to spectral graph theory conjectures in minutes. We also refute a conjecture attributed to Peter Shor that was left open.

* 12 pages, figures and pseudocode in appendix 
Viaarxiv icon