RIKEN Center for Computational Science

Generalizing molecular design via flexible search space control

Abstract Recent advances in generative artificial intelligence have made in silico molecular design a powerful approach for exploring chemical space toward specific goals. However, despite the need for trial-and-error adjustment of generative strategies and reward formulations, m...

An Eleven-Dimensional Geometric Reading of Lenz's 6π^5 Approximation to the Proton–Electron Mass Ratio — A Doodle with the Unit 11-Ball and Twenty Equatorial Cross-Polytopes

That the proton-to-electron mass ratio m_p/m_e ≈ 1836.15 can be approximated by 6π^5 = 1836.118 is a well-known numerical coincidence, dating from an extremely short 1951 note by F. Lenz. The present paper shows that 6π^5 need not be read as mere number-matching: it can be drawn,...

Reviving, reproducing, and revisiting Axelrod’s second tournament

Abstract Direct reciprocity, typically studied using the Iterated Prisoner’s Dilemma ( IPD ), is central to explaining cooperation. In the 1980s Robert Axelrod ran two computer tournaments in which Tit for Tat ( TFT ) emerged as the winner. Yet the archival record is incomplete:...