LieDiscover: Adaptive Symbolic Library Construction for Explicit Open-form Symmetry Discovery

Discovering underlying symmetries from data has emerged as a crucial challenge in scientific discovery. Existing data-driven methods for symmetry discovery fail to determine the exact number and mathematical form of unknown infinitesimal generators. Recent explicit methods represent generators using a predefined function library and identify them through algebraic optimization, but they often struggle to capture complex symmetries involving high-order polynomials or transcendental functions. To address this limitation, we formulate symmetry discovery as a joint optimization problem over the function library and coefficients. We propose a novel framework that leverages an encoder-decoder architecture to dynamically generate symbolic expressions and expand the library. This generation process is optimized via reinforcement learning, which accelerates the exploration of the symbolic search space through step-wise rewards. Experiments demonstrate that LieDiscover can successfully uncover open-form infinitesimal generators involving high-order polynomials or transcendental functions, which remain intractable for existing methods. The discovered symmetries also improve performance in downstream PDE solving and discovery tasks.