Milo Roucairol, Tristan Cazenave
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.
Milo Roucairol, Tristan Cazenave
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 (Wüst 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. Wüst, 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.
Milo Roucairol, Tristan Cazenave
We are interested in the automatic refutation of spectral graph theory conjectures. Most existing works address this problem either with the exhaustive generation of graphs with a limited size or with deep reinforcement learning. Exhaustive generation is limited by the size of the generated graphs and deep reinforcement learning takes hours or days to refute a conjecture. We propose to use search algorithms to address these shortcomings to find potentially large counter-examples to spectral graph theory conjectures in seconds. We apply a wide range of search algorithms to a selection of conjectures from Graffiti. Out of 13 already refuted conjectures from Graffiti, our algorithms are able to refute 12 in seconds. We also refute conjecture 197 from Graffiti which was open until now.