SymMatika: Structure-Aware Symbolic Discovery

ICLR 2026 Conference Submission13998 Authors

Keywords: AI for science, symbolic regression, genetic programming

Abstract: Symbolic regression (SR) seeks to recover closed-form mathematical expressions that describe observed data. While existing methods have advanced the discovery of either explicit mappings (i.e., $y = f(\mathbf{x})$) or discovering implicit relations (i.e., $F(\mathbf{x}, y)=0$), few modern and accessible frameworks support both. Moreover, most approaches treat each expression candidate in isolation, without reusing recurring structural patterns that could accelerate search. We introduce SymMatika, a hybrid SR algorithm that combines multi-island genetic programming (GP) with a reusable motif library inspired by biological sequence analysis. SymMatika identifies high-impact substructures in top-performing candidates and reintroduces them to guide future generations. Additionally, it incorporates a feedback-driven evolutionary engine and supports both explicit and implicit relation discovery using implicit-derivative metrics. Across benchmarks, SymMatika achieves state-of-the-art recovery rates on the Nguyen and Feynman benchmark suites, an impressive recovery rate of 61\% on Nguyen-12 compared to the next best 2\%, and strong placement on the error-complexity Pareto fronts on the Feynman equations and on a subset of 57 SRBench Black-box problems. Our results demonstrate the power of structure-aware evolutionary search for scientific discovery. To support broader research in interpretable modeling and symbolic discovery, we have open-sourced the full SymMatika framework.

Primary Area: applications to physical sciences (physics, chemistry, biology, etc.)

Submission Number: 13998