AI RESEARCH

Mixing Vector Model for Copolymer Inference via Mixed Integer Linear Programming

arXiv CS.LG

ArXi:2605.29329v1 Announce Type: cross A novel two-phase molecule inference framework, mol-infer, has recently been developed to infer chemical graphs with prescribed abstract structures and desired property values through mixed integer linear programming (MILP) under the two-layered model, with guaranteed optimality and exactness relative to the given learned prediction function and structural constraints. In this study, we extend this framework to copolymers by