From Score to Diagnosis: Search-Independent Post-Diagnosis for Symbolic Regression

Symbolic regression (SR) seeks to discover mathematical expressions directly from data, without requiring task-specific scientific descriptions. Despite tremendous progress in both conventional search-based methods and recent LLM-based methods, two critical limitations largely remain. First (Limited Generation Flexibility), conventional search-based methods rely on either fixed search rules or specialized learned generators, severely limiting adaptive candidate generation across diverse expression structures. Second (Underutilized Search Discoveries), most LLM-based methods cannot reliably recover ground-truth expressions because they fall short in effectively leveraging the LLM itself to thoroughly digest past expressions or adaptively guide future search. To address these limitations, we propose DIGEST. To render greater flexibility in generation, DIGEST repurposes a pretrained decoder block from a lightweight LLM into a symbolic policy for Genetic Programming (GP) population seeding, thereby leveraging the broader modeling capacity of the LLM. To more thoroughly utilize search discoveries, high-quality expressions discovered by GP are fed back to update the LLM-derived policy online, thereby enabling the LLM to progressively internalize past search discoveries and translate them into improved subsequent population generation. Experiments show that on two ground-truth benchmarks, DIGEST outperforms the strongest competitor by up to 2.59% in recovery. Among LLM-based baselines, it improves recovery by at least 54.91% while using at most 17.4% of the strongest competitor's mean search time. On 122 BlackBox datasets, DIGEST achieves the highest accuracy while maintaining a moderate model complexity.

Symbolic regression (SR) seeks to discover parsimonious mathematical laws from observational data, yet conventional approaches often struggle with the vast combinatorial search space of physically meaningful expressions. We present InsightSR, a framework that embeds Large Language Models (LLMs) as a guiding layer around the PySR genetic programming engine. Rather than relying on LLMs to generate expressions directly, InsightSR uses LLMs to progressively transform the search space itself through two complementary pathways: a Semantic Seed Pathway that proposes dimensionally consistent functional skeletons, and a Structural Feature Pathway that recommends nonlinear feature transformations. These transformations accumulate over iterations, broadening the input space and shifting the symbolic search from constructing deep expression trees over raw variables to assembling shallow trees over a rich, semantically informed feature set. A post-generation feedback loop evaluates candidates, categorizes features by their empirical utility, and refines the guidance for the next iteration, transforming the discovery process from open-ended generation into iterative, self-correcting refinement. Across three benchmarks, InsightSR achieves a 95% exact recovery rate on the Feynman benchmark and 80.18% accuracy on the LLM-SRBench LSR-Transform task, substantially outperforming state-of-the-art genetic programming and neural-symbolic methods while maintaining strong out-of-distribution generalization on real-world datasets.

Symbolic regression searches for an equation that explains observed data. Numerical error is commonly used to guide the search, but it alone can favor an accurate surrogate over a candidate with the right structure. We propose L2G-SR, a framework for LLM-based symbolic regression that guides search with a learned structural verifier. We construct structural supervision signal using tree edit distance (TED), accounting for commutative operators and alternative expression forms. A verifier first aligns numerical observations with the formulas, then learns to score a candidate's structural similarity to the target formula. At search time, the target formula is hidden and the verifier complements numerical error in parent selection. An analyst then uses verifier feedback and diagnostic tools to propose revisions, which a generator converts into refined expressions. On LLM-SRBench, L2G-SR achieves state-of-the-art numerical fit, equation level accuracy and TED across the evaluated LLM backbones and domains. L2G-SR demonstrates the value of learned structural guidance for LLM-based symbolic regression.