Not Every Term Adds New Structure: Sobolev Novelty for Symbolic Regression
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Abstract (arXiv)
Symbolic regression (SR) aims to discover compact and meaningful mathematical equations from data, but searching the vast combinatorial space of symbolic structures remains challenging. Existing methods typically guide this process using expression-level objectives, such as fitting error, which assess a candidate equation as a whole but provide little information about whether an individual term contributes genuinely new structure or is largely redundant with the rest of the expression. We introduce Sobolev Novelty, a term-level measure of structural independence for symbolic equations. For each term, we construct an empirical Sobolev signature from its function values and exact derivatives over the observed inputs, and quantify how much of this behavior cannot be reconstructed by the remaining terms. We further derive a theory-calibrated threshold, yielding a principled and tuning-free criterion for identifying structurally novel terms. Using this threshold, 92.6% of terms in benchmark ground-truth equations exhibit sufficient structural novelty, compared with only 38.3% on average for expressions produced by 15 SR methods, revealing a substantial gap between scientific equations and current SR solutions. As a lightweight plug-in, Sobolev Novelty can be incorporated into diverse SR paradigms to support term pruning, search guidance, LLM feedback, and data selection, yielding consistent performance gains and demonstrating broad applicability.
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References · 22
- 2019AI Feynman: a Physics-Inspired Method for Symbolic Regressioncited by 548
- 2019Deep symbolic regression: Recovering mathematical expressions from data via risk-seeking policy gradientscited by 309
- 2021Contemporary Symbolic Regression Methods and their Relative Performancecited by 215
- 2022End-to-end symbolic regression with transformerscited by 203
- 2021Neural Symbolic Regression that Scalescited by 192
- 2020AI Feynman 2.0: Pareto-optimal symbolic regression exploiting graph modularitycited by 144
- 2017Sobolev Training for Neural Networkscited by 143
- 2024LLM-SR: Scientific Equation Discovery via Programming with Large Language Modelscited by 133
- 2022Interpretable Scientific Discovery with Symbolic Regression: A Reviewcited by 105
- 2023Transformer-based Planning for Symbolic Regressioncited by 79
- 2019Bayesian Symbolic Regressioncited by 78
- 2022Symbolic Physics Learner: Discovering governing equations via Monte Carlo tree searchcited by 66
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- 2023SNIP: Bridging Mathematical Symbolic and Numeric Realms with Unified Pre-trainingcited by 47
- 2023Deep Generative Symbolic Regression with Monte-Carlo-Tree-Searchcited by 41
- 2018Learning concise representations for regression by evolving networks of treescited by 33
- 2024Symbolic regression via MDLformer-guided search: from minimizing prediction error to minimizing description lengthcited by 17
- 2025Call for Action: towards the next generation of symbolic regression benchmarkcited by 17
- 2025A Neural Symbolic Model for Space Physicscited by 11
- 2026Influence-Guided Symbolic Regression: Scientific Discovery via LLM-Driven Equation Search with Granular Feedbackcited by 11
- 2023RSRM: Reinforcement Symbolic Regression Machinecited by 8
- 2026LLM-Based Scientific Equation Discovery via Physics-Informed Token-Regularized Policy Optimizationcited by 5
- 2025Beyond Accuracy and Complexity: The Effective Information Criterion for Structurally Stable Symbolic Regressioncited by 1
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