Multi-Objective Tool-augmented Symbolic Regression (MOT-SR), a unified framework that integrates external analytical tools to extract structural priors and guide equation generation, while jointly optimizing for accuracy, complexity, and generalization via a multi-objective evaluation module that maintains a dynamic Pareto front is proposed.
Abstract
Symbolic Regression (SR) aims to discover analytical equations from observational data and plays a central role in scientific modeling. While recent Large Language Model (LLM) based approaches show promise, they face two limitations. First, they lack data analysis mechanisms for uncovering variable dependencies, which reduces the efficiency of equation discovery. Second, most methods rely on single-objective evaluation focused solely on fitting error. This neglect of structural complexity and generalization often causes models to converge prematurely to local optima, limiting their ability to explore the broader equation space. We propose Multi-Objective Tool-augmented Symbolic Regression (MOT-SR), a unified framework that integrates external analytical tools to extract structural priors and guide equation generation, while jointly optimizing for accuracy, complexity, and generalization via a multi-objective evaluation module that maintains a dynamic Pareto front. MOT-SR employs two collaborative LLM modules: a Meta Strategy Generator, which selects tools and synthesizes structural optimization strategies based on Pareto-optimal equations, and an Equation Generator, which produces new candidate equations accordingly. The system operates in a closed-loop manner, continuously refining both strategies and equation structures. Across 40 standard tasks, MOT-SR outperforms existing SR methods in accuracy, generalization, and efficiency. We further validate MOT-SR on extreme mass-ratio inspiral (EMRI) orbital modeling, an important problem in space-based gravitational-wave astronomy where small local errors can accumulate substantially over long-term evolution. The discovered interpretable correction achieves the lowest trajectory-level integration error on held-out configurations. These results demonstrate the potential of MOT-SR to enable reliable modeling of long-horizon scientific dynamics.
This survey comprehensively analyzes contemporary symbolic regression methodologies by systematically integrating four paradigmatic approaches: deterministic methods, metaheuristic algorithms, neural-symbolic frameworks, and emerging hybrid strategies, establishing a unified taxonomic framework that bridges evolutionary computation, mathematical programming, and deep learning paradigms.
Vikas Palakonda, Samira Ghorbanpour, Sangseok Yun et al.· Archives of Computational Me...· 0 citations
A-SR, a self-evolving agentic framework that shifts the control unit from expression edits to role-conditioned evidence views, is proposed, a self-evolving agentic framework that shifts the control unit from expression edits to role-conditioned evidence views.
Wenxiao Zhao, Dong Liu, Kaiyi Xu et al.· 2 citations
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.
An LLM-guided SR framework is introduced, embedding an LLM module within an iterative SR algorithm for automated kinetic model discovery, demonstrating that LLMs can effectively inject domain knowledge into scientific model discovery, paving the way toward fully automated, domain-aware kinetic modelling pipelines.
Roberto Aliaga Medina, Paulina Quintanilla, Antonio del Río Chanona· 1 citation
Symbolic regression (SR), the automated discovery of mathematical expressions from data, is a cornerstone of scientific inquiry. However, it is often hindered by the combinatorial explosion of the search space and a tendency to overfit. Popular methods, rooted in genetic programming, explore this space syntactically, often yielding overly complex, uninterpretable models. This paper introduces IdeaSearchFitter, a framework that employs Large Language Models (LLMs) as semantic operators within an evolutionary search. By generating candidate expressions guided by natural-language rationales, our method biases discovery towards models that are not only accurate but also conceptually coherent and interpretable. We demonstrate IdeaSearchFitter's efficacy across diverse challenges: it achieves competitive, noise-robust performance on the Feynman Symbolic Regression Database (FSReD), outperforming several strong baselines; discovers mechanistically aligned models with good accuracy-complexity trade-offs on real-world data; and derives compact, physically-motivated parametrizations for Parton Distribution Functions in a frontier high-energy physics application. IdeaSearchFitter is a specialized module within our broader iterated agent framework, IdeaSearch, which is publicly available at \href{https://www.ideasearch.cn/}{https://www.ideasearch.cn/}.
Zhuo-Yang Song, Ze-Yu Cai, Shu-Tao Zhang et al.· Communications in Theoretica...· 0 citations
Symbolic regression (SR) discovers closed-form mathematical expressions from data, offering interpretability beyond black-box models. Existing methods suffer from slow convergence in combinatorial search spaces and lack mechanisms to exploit compositional structure in the data. We introduce SMILE (Sine, Multiplication, Identity, Logarithm, Exponential), a hybrid framework that unifies continuous gradient-based optimization with discrete symbolic recovery through three stages: structural analysis of the data to identify the compositional hierarchy of the target expression, continuous optimization to learn parameters of a network that encodes the target expression using interpretable activations, and symbolic recovery through structured pruning, coefficient optimization, and rounding. This final stage distills the learned network into a compact expression with exact symbolic constants. We evaluate SMILE on SRBench across ground-truth and black-box datasets, with ablation studies validating each component. SMILE achieves the highest symbolic solution rate at the largest noise levels, demonstrating strong robustness where competing methods degrade substantially. It consistently lies on the Pareto front of accuracy versus complexity, recovering significantly simpler expressions in a fraction of the time required by the competing methods.
Mansooreh Montazerin, Antonio Ortega, Ajitesh Srivastava· 0 citations
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