Symbolic Regression

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Latest papers 137

19 papers in the last four weeks, up 58% on the four weeks before. 0.1% of all new papers.

Jul 5, 2026

Language models guide symbolic equation discovery by controlling search

Scientific equation discovery must combine broad domain priors with strict numerical testing. Symbolic regression supplies numerical grounding but faces a combinatorial search space, whereas many language-model systems ask the model to propose or select formulas directly. We test a different division of labour. We compare role specifications in which the language model acts as equation author, candidate decider or search controller, alongside end-to-end language-model and purely numerical baselines. In the controller setting we propose here, implemented as LLM-PySR, language models specify variables, operators, transformations and search depth; symbolic regression enumerates and fits expressions; and deterministic metrics govern retention. Across 74 AI-Feynman equations and seven complex formula-recovery tasks, search control achieved the strongest observed balance of accuracy, complexity, stability and cost. On an independent battery dataset, LLM-PySR identified a compact piecewise-linear relation between early voltage-curve displacement and cycle life. The results suggest that language models should shape hypothesis exploration rather than decide which equations survive.

Zikai Xie, Wenmei Li, Man Luo +2

State Key Laboratory of Precision and Intelligent Chemistry, Hefei National Research Center for Physical Sciences at the Microscale, School of Chemistry and Materials Science, University of Science and Technology of China, Hefei, China. · Center for Scientific Intelligence Innovation, Hefei, China · School of Chemistry, School of Computer Science, University of Birmingham, Birmingham, UK

Large Language Model-Guided Scientific Discovery Symbolic Regression

Jul 5, 2026

Dictionaries, Not Darwin: Set-Level Selection Beats LLM Evolution in Scientific Equation Discovery

Large language models are increasingly used as evolutionary engines for scientific discovery: generate candidates, select winners, feed them back as parents, and repeat. We audit whether this loop actually compounds discovery in scientific equation discovery, a setting where finite samples make structure underdetermined and interpolation easy. Under matched LLM-call budgets, parent-conditioned evolution is indistinguishable from fresh independent sampling: median OOD NMSE is 0.045 vs. 0.049, instructed multi-parent crossover is worse, final success is predicted by initial proposal quality, and multiple iteration schemes fail to add solved problems. Operationally, the loop reduces to what it produces: a dictionary of candidate terms. We turn that diagnosis into PTB-Search, a one-generation method for componentized scientific discovery. PTB-Search samples independent LLM proposals once, extracts reusable terms into a per-problem dictionary, and performs train-only set-level sparse selection with least-squares coefficients. Its central principle is that underdetermined data identifies the joint behavior of term sets, not reliable per-term credit. On identical dictionaries and zero additional LLM calls, set-level selectors solve 165--169 of 717 cells, while single-term reductions solve only 74--78. On the official 239-problem LLM-SRBench split, PTB-Search reaches 73.2% Acc0.1 with Llama-3.1-8B and 77.0% with a single-seed DeepSeek-V4 anchor, versus 49.2% for the best reported baseline, using one tenth of the standardized call budget. A program-domain stress test gives a scoped boundary: generation count remains unreliable, while retained external state can help in harder non-linear spaces. Across these results, LLMs are best understood as material suppliers; discovery is carried by external set-level selection over reusable components.

Pan Li

Independent Researcher

Evolutionary Optimization Scientific Discovery Large Language Model-Guided Scientific Discovery Symbolic Regression

Jun 30, 2026

Evaluation of Population Initialization Methods for Genetic Programming-based Symbolic Regression

We analyze the effect of optimizing the initial population of genetic programming (GP) for symbolic regression (SR) on the accuracy and complexity of solutions. We compare three well-established random initialization methods as well as initialization with small optimized solutions from exhaustive symbolic regression (ESR) using a GP/SR implementation which is based on the multi-objective evolutionary algorithm NSGA-II. We compare the final Pareto fronts found with each initialization method on twelve synthetic problems of varying complexity and one real-world dataset. We find no significant differences in accuracy or model complexity among the initialization methods. The initial advantage of initialization with ESR disappears after only a few generations. Our results show that, given similar diversity in the initial population, the effect of the initialization method in GP-based symbolic regression on the final Pareto front is negligible.

Lukas Kammerer, Gabriel Kronberger, Deaglan J. Bartlett +3

Heuristic and Evolutionary Algorithms Laboratory, University of Applied Sciences Upper Austria, Hagenberg, Austria · Astrophysics, University of Oxford, Oxford, UK · Institute of Cosmology & Gravitation, University of Portsmouth, Portsmouth, UK

Genetic Programming Symbolic Regression

Jun 29, 2026

Joint discovery of governing partial differential equations from multi-source datasets by competitive optimization

Discovering governing equations directly from observational data is a key step towards interpretable scientific machine learning. Current data-driven approaches typically operate on a single dataset, inherently limiting their performance when faced with restricted observations. In practice, multiple datasets are often available for the same physical system, distinguished only by distinct initial conditions or boundary configurations. Here, we present a competitive optimization framework designed to discover shared partial differential equations (PDEs) from multi-source datasets, termed MCO-PDE. The framework first trains independent neural surrogates for each data source, and then employs a soft-competitive weighting mechanism to dynamically assess dataset credibility and aggregate a consensus global coefficient. Integrated with a genetic algorithm for structural search, this approach simultaneously identifies the functional forms and parameters of the governing laws. We demonstrate that fusing as few as 50 observations per dataset across seven cases recovers canonical equations with high accuracy. The framework inherently handles two- and three-dimensional domains characterized by irregular boundaries and heterogeneous coefficients, and successfully extracts physically meaningful laws from real-world wave-tank experiments. Overall, this work establishes a promising route for automated scientific discovery via heterogeneous data fusion.

Hao Xu, Siyu Lou, Yuntian Chen +1

Zhejiang Key Laboratory of Industrial Intelligence and Digital Twin, Eastern Institute of Technology, Ningbo, Zhejiang 315200, China · Department of Electrical Engineering, Tsinghua University, Beijing 100084, P. R. China. · Shanghai Jiao Tong University, School of Computer Science, Shanghai, China +1

PDE Discovery Symbolic Regression

Jun 28, 2026

Sample Complexity of Scientific Discovery: PAC Learnability of Compositional Function Trees

Scientific discovery via symbolic regression is often viewed as statistically and computationally intractable because the hypothesis space of expressions grows combinatorially with depth. This paper revisits the statistical side through the lens of PAC learning, focusing on compositional function trees built from a finite vocabulary of smooth operators (e.g.,

\{+,\times,\sin,\exp\}

and affine maps). We prove that the relevant generalization quantity, Rademacher complexity, hence the excess risk, does not necessarily blow up exponentially with the number of distinct symbolic structures, but is controlled by (i) the depth

d

and (ii) the Lipschitz constants of the base operators along the composed computation graph. Concretely, under mild Lipschitz conditions on operators and bounded affine leaves, a finite-union bound over a vocabulary of size

K=|\mathcal{H}_{\mathrm{base}}|

together with Maurer-type vector contraction yields

\mathfrak{R}_n(\mathcal{H}_{\mathrm{comp}}^{d}) \leq (Kb\sqrt{2}L)^{d-1}\mathfrak{R}_n(\mathcal{H}_{\mathrm{comp}}^{1})

with arity bound

b

; corresponding high-probability risk bounds scale as

\mathcal{O}(L^{d}/\sqrt{n})

when

K,b=O(1)

and

\mathfrak{R}_n(\mathcal{H}_{\mathrm{comp}}^{1})=O(n^{-1/2})

. We complement the theory with a modular codebase that trains differentiable operator trees (not MLPs) on synthetic "physics-like" targets of controlled depth and shows that the empirical generalization gap correlates positively with the predicted complexity term

(\widehat{L}^{d})/\sqrt{n}

.

Şuayp Talha Kocabay, Talha Rüzgar Akkuş, Kerem Yalçın

Independent Researcher · TÜBİTAK Science High School

Sample Complexity Statistical Learning Theory Symbolic Regression

Jun 23, 2026

LLM-ACES: Closed-Loop Discovery of Dynamical Systems with LLM-Guided Adaptive Search

Recovering governing Ordinary Differential Equations (ODEs) from data is a central challenge in modeling dynamical systems across scientific domains. Existing approaches cast discovery as a static inference problem over fixed datasets, assuming that the observed trajectories are sufficiently informative. However, dynamical systems evolve over large state spaces, and limited data can make multiple equations observationally indistinguishable, leading to identifiability gaps and the recovery of incorrect governing equations. To address this, we introduce LLM-ACES, or LLM-guided Active Closed-loop Equation Search, a closed-loop framework that jointly optimizes symbolic hypothesis construction and adaptive data acquisition. In LLM-ACES, a large language model (LLM) proposes operator priors that partition the large search space into distinct regions, within which candidate equations are fit to the observed data. The disagreement among these candidates guides the acquisition of informative trajectories, creating a feedback loop that iteratively refines both the hypothesis space and the discovered dynamics. On 122 ODE systems spanning ODEBench and ODEBase, LLM-ACES achieves the lowest median NMSE, outperforming state-of-the-art baselines by several orders of magnitude while achieving a high symbolic accuracy of 46.2% and 52.4%, respectively. Our analysis further shows that LLM-ACES is sample-efficient, achieving better performance with one-tenth the data. Furthermore, LLM-ACES's feedback-driven data acquisition makes it robust to noise and recovers the correct symbolic structure, while baselines introduce spurious terms that fit the data locally but obscure the true governing relationships.

Nikhil Abhyankar, Sha Li, Sanchit Kabra +3

Virginia Tech

Nonlinear System Identification System Identification Autonomous Scientific Discovery Large Language Model-Guided Scientific Discovery ODE Discovery Symbolic Regression

Jun 20, 2026

Evolutional Math: Cross-Validated Island-Model Genetic Programming for Interpretable Symbolic Regression on Small, Wide Datasets

Symbolic regression via genetic programming routinely fails on small, wide datasets - a regime common in clinical-trial monitoring, biostatistics, and engineering pilot studies - by converging on bloated, overfit expressions that exploit correlation rather than prediction. We present Evolutional Math, an open-source genetic programming system that combines four design choices to yield compact, interpretable formulas in this regime. First, fitness is measured by R-squared on held-out cross-validation folds rather than Pearson correlation on the training set, eliminating single-variable shortcuts that correlate but mis-scale. Second, a multi-island architecture runs independent populations seeded with distinct operator subsets (algebraic, logarithmic, trigonometric, and full) with ring-topology migration every M generations, preventing the search from collapsing into one region of formula space. Third, a structural deduplication scheme treats formulas differing only in constants as equivalent, so the elite archive contains structurally distinct candidates rather than near-duplicate variants. Fourth, top-k individuals undergo numerical constant refinement via scipy L-BFGS-B after each migration phase, decoupling structure search from parameter fitting. We evaluate the system on synthetic benchmarks of the form log(x_i) * x_j / (x_k * c), trigonometric mixtures, and an anonymized clinical site-monitoring dataset with 24 rows and approximately 290 candidate numeric features. The system consistently recovers compact ground-truth structures with R-squared at or above 0.99 within tens of thousands of unique formula evaluations. A reference implementation is released under a noncommercial source-available license.

Artem Andrianov

Cyntegrity Germany GmbH, Hofheim am Taunus, Germany · Independent Researcher, Muensterer Str. 49, 65719 Hofheim am Taunus, Germany

Genetic Programming Symbolic Regression

Jun 18, 2026

Agentic Symbolic Search: Characterizing PDEs Beyond Hand-crafted Expressions, Meshes, and Neural Networks

Mathematicians understand a PDE solution through mathematical structures rather than tables of computed values. Historically, this has been the product of mathematical analysis, carried out by hand for each problem individually. Neither numerical simulation nor neural networks produce those structures directly. We propose Agentic Symbolic Search (ASYS), a prior-guided framework in which an agent translates PDE theory, public problem constraints, and accumulated search experience into testable differentiable symbolic programs. The mathematical forms are refined under evolutionary search, while their continuous parameters are fit by gradient-based optimization. This makes the search an automated form of inductive-bias injection rather than blind symbolic regression. For problems with known analytical forms, ASYS recovers these forms naturally; for other problems, ASYS constructs analytical approximations which can guide mathematicians toward further analysis. In our experiments, across five problems spanning bounded dynamics, finite-time blow-up, and free-boundary focusing, ASYS produces interpretable representations, including a geometric interface formula for Allen-Cahn 2D dynamics and a nine-parameter contraction law for Keller-Segel chemotactic blow-up, in settings where no closed-form description was previously available. ASYS shows the possibility of a new paradigm for characterizing PDE solutions, beyond handcrafted analytical solutions, mesh-based numerical solutions, and neural network approximations.

Zongmin Yu, Liu Yang

National University of Singapore

AI Agents for Scientific Discovery PDE Solving PDE Discovery Symbolic Regression

Jun 9, 2026

NOVA: Symbolic Regression Discovery of Interpretable Car-Following and Lane-Change Models with Driver Heterogeneity

We present NOVA, an autonomous symbolic regression framework that identifies interpretable car-following and lane-change structures from raw trajectory data with minimal behavioral priors. Applied to 4,765,788 active driving observations from the NGSIM I-80 and US-101 datasets, NOVA's deterministic Rust-powered search engine evaluates over 10,000 candidate algebraic structures and identifies a compact two-term acceleration model under a forward-shifted rolling-mean prediction target. Evaluated under two complementary preprocessing pipelines, NOVA achieves

RMSE = 1.376 m/s^2

(

R^2 = 15.57\%

) on the intent-forecasting benchmark, outperforming the best recalibrated symbolic-regression baseline (SR-LLM, PNAS~2025) by 0.135 m/s

^2

in RMSE under an identical evaluation protocol. Across eight independent experiments, a single dominant nonlinear term emerges as a robust backbone of human car-following; a residual-guided extension further links the selected structure to an established psychophysical theory of collision avoidance. The discovered feature operators transfer zero-shot between freeway sites with under 3 pp

R^2

loss. Extended to lane-change modelling within a multinomial logit framework, NOVA achieves 67.4% balanced accuracy under strict vehicle-ID holdout on 502 unseen drivers, surpassing existing lane-changing baselines by +29.8 percentage points on a three-class problem.

Ishak Abassi, Nassim Ali Bouazzouni, Farah Ibelaiden +1

Department of Industrial Systems Engineering, National School of Artificial Intelligence (ENSIA), Algeria. · Cosys-Grettia, Univ Gustave Eiffel, F-77454 Marne-la-Vallee, France.

Intelligent Transportation Systems Vehicle Trajectory Prediction Symbolic Regression

Jun 8, 2026

Minimalist Genetic Programming

Genetic programming (GP) is based on two important insights. First, that any learning task can fundamentally be posed as a program induction problem, where the goal is to construct a symbolic hierarchical model that is expressed as a syntax tree. Second, to pose this task as a search problem, and use evolution to locate the desired model. Since it was proposed, GP has produced notable results in a wide range of tasks and problem domains. This work presents an alternative view by modifying the second core insight of GP, posing the problem as a syntactic derivation task instead. In particular, this paper presents Minimalist Genetic Programming (MGP), an algorithm that like GP is biologically inspired, but instead of evolution it takes inspiration from the Minimalist Program to human language, in which syntax is understood as an optimal solution to the problem of linking two other mental systems. In minimalism, the core computational process is a binary set formation operator called

MERGE

, than can be used to incrementally construct complex syntactic structures using a simple Markovian process. MGP is able to discover the core building blocks of the symbolic expressions, and to incrementally combined them using

MERGE

. The proposed system is benchmarked on symbolic regression tasks that are known to be difficult to solve with standard GP systems because of the propensity for bloat. Results show that when a proper lexicon of atomic syntactic objects are chosen, MGP is able to consistently produce the exact ground truth model on a set of symbolic regression tasks where standard GP struggles to do the same. The insights provided by minimalism are shown to be relevant to the problem of program induction, and should be explored further based on the potential exhibited by MGP in this work.

Leonardo Trujillo

Tecnol´ogico Nacional de M´exico/IT de Tijuana,Tijuana, BC, Me xico · LASIGE, Department of Informatics, Faculty of Sciences, University of Lisbon, Lisbon, Portugal

Genetic Programming Program Synthesis Compiler-Guided Program Synthesis Symbolic Regression

Jun 8, 2026

Data-driven discovery of governing differential equations across physical systems

Differential equations play a critical role in scientific discovery because they provide a mathematical framework to describe the behaviour of physical phenomena. As a promising alternative to traditional first principles, data-driven differential equation discovery has attracted increasing attention for its ability to infer governing laws directly from experimental or simulated data, especially when the underlying physics is unclear. However, the field has expanded rapidly along diverse methodological directions, particularly with the emergence of AI-based approaches, and still lacks a clear organizing perspective. In this Review, we propose a problem-oriented perspective on data-driven differential equation discovery. We first introduce a two-dimensional phase diagram of equation discoverability, where discovery problems are organized according to structural complexity and coefficient complexity. This phase diagram shows how the field has moved from the discovery of sparse equations with simple coefficients toward more complex governing laws with richer structures and more flexible parameterizations. It also clarifies why different methodological families succeed or fail in different problem settings. We then present the representation-evaluation-optimization (REO) framework as a fundamental abstraction of the discovery process. By identifying the core problems of equation discovery that persist across algorithmic variations, REO shifts the discussion from individual algorithms to the fundamental principles that determine discoverability. We connect these perspectives to applications across physics and adjacent sciences, and argue that the next challenge is not merely recovering equations, but using them to revise existing theories, distil mechanisms and form new scientific concepts.

Siyu Lou, Hao Xu, Wenguan Wang +6

School of Computer Science, Shanghai Jiao Tong University, Shanghai, China · Ningbo Key Laboratory of Advanced Manufacturing Simulation, Eastern Institute of Technology, Ningbo, Ningbo, China · The State Key Lab of Brain-Machine Intelligence, Zhejiang University, Hangzhou, China. +5

PDE Discovery Autonomous Scientific Discovery Symbolic Regression

Jun 8, 2026

ERBench: A Benchmark and Testsuite for Equation Discovery Algorithms

Equation discovery aims to automate the discovery of scientific models in the form of mathematical equations from data. Technically, equation discovery is implemented by symbolic regression algorithms. Performance of symbolic regression for equation discovery is measured along two dimensions: Prediction accuracy on test data, and recovery of known groundtruth formulas. For standard regression, accuracy is typically measured on in-domain test data, for instance, by splitting a data set randomly into training and test data. While this makes sense for in-domain interpolation, which is the common goal in ordinary regression, it can be a misleading proxy for true model discovery and generalization. The obvious alternative is to measure out-of-domain accuracy. However, obtaining challenging out-of-domain test data is a non-trivial problem. Therefore, we focus on equation recovery for evaluating symbolic regression algorithms for equation discovery. The rationale is that symbolic regression algorithms that perform well in recovering known groundtruth formulas are good candidates to perform well in unknown equation discovery. Existing benchmarks for symbolic regression include equation recovery tasks, however, with only a small number of groundtruth formulas that are publicly known. Moreover, these benchmarks place less emphasis on evaluating the robustness of algorithms in terms of their behavior under changing dimensionality, sampling size, sampling distribution and sampling domain. This, however, is of central importance to practitioners wanting to discover equations for modeling natural phenomena, since data is almost certainly noisy and comes from diverse domains, distributions, and sample sizes. To fill this gap, we introduce the Equation Recovery Benchmark (ERBench), a new evaluation framework designed to rigorously assess algorithms explicitly targeting the task of equation discovery.

Paul Kahlmeyer, Henrik Voigt, Michael Habeck +1

Department of Computer Science University of Jena Inselplatz 5, 07743 Jena, Germany

Benchmark Design Scientific Discovery Benchmark Validity Symbolic Regression

Jun 7, 2026

Compile Once, Differentiate Everywhere: A Differentiable Meta-Circular Interpreter

The boundary between program execution and gradient-based optimization has long limited the use of code itself as a learnable scientific model. We present a compiler that translates a self-hosting subset of Scheme into differentiable computation graphs for autograd backends. Because the subset can compile its own evaluator, this yields differentiable meta-circular interpretation (DMCI): a compiled Scheme interpreter executes programs supplied as data, while reverse-mode autodiff propagates gradients to continuous constants embedded in those programs. The interpreter is compiled once, so new programs inherit differentiability without recompilation or custom gradient machinery, while retaining closures, recursion, and data structures. We prove that gradients through the compiled interpreter are correct almost everywhere and show that they match direct compilation to numerical precision across 171 recursive and higher-order program-seed pairs. We then use DMCI for program-and-parameter co-search, where a large language model proposes Scheme programs and exact gradients calibrate their continuous parameters through a single frozen interpreter. This enables OpenEvolve-style program search in which an outer loop proposes discrete program structures and DMCI supplies exact gradient-based calibration of each candidate's continuous parameters. On battery capacity-fade data, the search recovers a knee-like degradation structure and improves held-out extrapolation over hand-crafted baselines on the harder early-extrapolation split, matching them on the later split. On a high-dimensional El Nino inverse problem, DMCI optimizes an interpreted Kalman-filter likelihood where gradient-free search fails. These results extend symbolic regression and neurosymbolic search from closed-form expressions to executable, stateful programs, making model-generated code directly optimizable against data.

Lucas Sheneman

Institute for Interdisciplinary Data Sciences University of Idaho

Automatic Differentiation Program Synthesis Differentiable Programming Differentiable Optimization Symbolic Regression

Jun 6, 2026

EditSR: Enhancing Neural Symbolic Regression via Edit-based Rectification

Neural symbolic regression models improve inference efficiency by shifting structural search to pretraining, but their one-pass autoregressive decoding is prone to error accumulation, which may lead to generating structurally incorrect expressions, especially in complex expression generation scenarios. Existing rectification strategies can alleviate this issue, but they often depend on restarting global search, thereby weakening the efficiency advantage of neural models, and remain susceptible to error accumulation. In this paper, we propose EditSR, a two-layer framework that combines a neural symbolic regression model in the first layer with an edit-based Rectifier in the second layer to achieve efficient prediction and post-hoc rectification. Instead of restarting the global search, we maintain rectification efficiency by pretraining the Rectifier. Specifically, we formulate the rectification process as a step-by-step state-transition chain starting from an incorrect expression, and develop a state-transition algorithm to construct supervised rectification chains for training the Rectifier. To ensure syntactic validity throughout rectification, each edit action is restricted to a syntactically valid space so that every edited expression remains parseable. In addition, because each edit decision is conditioned on the current state rather than the history, the Rectifier allows errors made in earlier steps to be rectified by subsequent edits, thereby reducing the risk of error accumulation. Extensive experiments and ablation studies show that EditSR substantially improves symbolic structure recovery with limited extra cost, with more pronounced gains on complex expressions, where one-pass autoregressive decoding is more susceptible to error accumulation.

Da Li, Xinxin Li, Xingyu Cui +3

Academy for Advanced Interdisciplinary Studies, Northeast Normal University, Changchun, 130024, Jilin, China · School of Mathematical Sciences, East China Normal University, Shanghai, 200241, Shanghai, China · Shanghai Zhangjiang Institute of Mathematics, Shanghai, 201203, Shanghai, China +3

Symbolic Regression

Jun 5, 2026

Discovering Multiscale Deep Formulas in Complex Systems via Neural-Guided Lambda Calculus

A fundamental problem in science is identifying underlying patterns of complex systems in the form of concise mathematical formulas. Current Artificial Intelligence (AI)-based methods have shown strong performance in single-scale systems, yet remain limited in identifying scale-specific formulas in multiscale complex systems. We present Deflex, an end-to-end AI method to automatically extract multiscale formulas with potentially different forms, including invariants and distributions, from complex systems. Deflex consists of two subsystems named Deflexformer and Deflexpressor. Deflexpressor is a lambda-calculus symbolic regression model for higher-order formulas. Deflexformer is a decomposable deep energy model for learning unified representations across scales. Deflexpressor generates synthetic data to pre-train Deflexformer, which then guides formula discovery by decoupling multiscale latent relationships. Across six representative complex systems with diverse behaviors, Deflex achieves up to 7-fold higher efficiency than the state-of-the-art methods while enabling automated multiscale discovery. Our work could be a useful tool for scientific discovery across disciplines.

Hanqiao Yu, Shusen Yang, Xuebin Ren +1

National Engineering Laboratory for Big Data Analytics, Xi’an Jiaotong University, Xi’an, 710049, Shaanxi, China. · School of Mathematics and Statistics, Xi’an Jiaotong University, Xi’an, 710049, Shaanxi, China. · School of Computer Science and Technology, Faculty of Electronic and Information Engineering, Xi’an Jiaotong University, Xi’an, 710049, Shaanxi, China.

AI for Science Symbolic Regression

Jun 5, 2026

A Data-Free Symbolic Regression Approach for Solving Equations

Many equations arising in science currently cannot be solved by available analytical techniques and are therefore solved numerically, without yielding explicit symbolic expressions. Existing symbolic regression approaches can recover symbolic expressions, but require training data obtained from the underlying process, rather than the governing equation alone. We propose the Symbolic Equation Solver (SES), a framework that formulates equation solving as an optimization problem over differentiable symbolic models. SES constructs its objective from the equation together with initial or boundary conditions, eliminating the need for paired input-output data. The learned model is expressed in explicit symbolic form, enabling further analysis. We evaluate SES on representative algebraic and differential equations, including a system of algebraic equations, an equation with transcendental terms, an ordinary differential equation, and partial differential equations with different initial or boundary conditions. Across these settings, SES recovers compact symbolic expressions that match the corresponding analytical solutions.

Sergei Garmaev, Vinay Sharma, Olga Fink

Intelligent Maintenance and Operations Systems Laboratory, EPFL, Lausanne, CH-1015, Switzerland

PDE Solving Symbolic Regression

Jun 5, 2026

FunctionEvolve: Structure-Guided Symbolic Regression with LLMs

Symbolic regression aims to uncover explicit scientific laws from data. Recent methods use LLMs to guide mutation from background text, which is more directed than random genetic programming. However, exact symbolic recovery requires both semantic guidance and explicit structure, so that domain-informed search are carried out through valid symbolic representation. Current LLM-driven systems remain structure-blind: they select among opaque candidates, lack explicit mechanisms for local mutation, and rely on brittle coefficient fitting that can undervalue correct skeletons. We propose FunctionEvolve, an evolutionary framework using expression trees to organize the whole search: structural summaries promote diverse parent selection, local tree edits preserve useful subexpressions, and structure-aware fitting decomposes, constrains, and simplifies coefficients for more reliable scoring. It uses only elementary function families, without additional domain-specific rules limiting generalization. On the 129-task synthetic subset of LLM-SRBench, FunctionEvolve with Claude Opus 4.6 recovers 107 exact forms, reaching 82.9% SA@50, 4.5x above same-backbone baselines, and 55.8% SA@1, 3.6x above the strongest previously published top-1 result. Ablations show that structure-visible search is central to reliable recovery, with LLM-guided refinements and structure-aware coefficient optimization serving as essential proposal and scoring mechanisms. We also audit the benchmark and show that collinearity in its materials-science subset creates identifiability issues.

Zeyu Xia, Jun Zhu, Dong Yan

Bosch Center for Artificial Intelligence · Department of Computer Science and Technology, Tsinghua University · Department of Computer Science and Technology +1

Genetic Programming Large Language Model-Guided Scientific Discovery Symbolic Regression

Jun 4, 2026

Are you sure? A Comprehensive and Comprehensible Survey of Uncertainty Quantification in Symbolic Regression

Symbolic regression (SR) is a class of methods that systematically explore the space of mathematical functions to discover models that accurately capture the underlying relationships in a dataset. Despite recent advances in the field, a lack of support for uncertainty quantification (UQ) limits its adoption in real-world decision processes. In regression analysis, UQ provides important information about the model reliability, which can both help to avoid overfitting by accounting for uncertainty in the data, and provide insights for decision-making. This survey is the first to clearly address this issue, with the objective of introducing essential UQ concepts and reviewing the current literature on UQ in SR, which can be broadly organized into three research directions: frequentist, Bayesian, and model selection. Despite its importance, UQ in SR is still underexplored, which motivates further research into reliable UQ methods for SR.

Julia Reuter, Fabricio Olivetti de Franca

Center for Mathematics, Computation and Cognition (CMCC), Federal University of ABC, Brazil

Uncertainty Quantification Symbolic Regression

Jun 4, 2026

EML-CD: Causal Mechanism Recovery via EML Symbolic Trees in Structure Learning

Neural network (NN)-based nonlinear causal discovery methods recover DAG structure but leave each causal mechanism as a black box. Waxman et al. argued that extracting causal mechanisms from NN weights is ill-posed. We propose EML-CD, a framework that integrates the EML operator (capable of composing elementary functions from a single binary operator) into causal structure learning, with interpretable mechanism recovery as the primary objective. EML-CD represents each edge mechanism as a gated EML binary tree and automatically discovers closed-form causal equations. Analytical Jacobians can be directly computed from the output equations, enabling quantitative understanding of causal effects. On real data (Sachs protein signaling, d=11), EML-CD achieves SHD=11.2 +/- 0.4 (5-seed mean; baselines are single deterministic runs), on par with PC/GES within seed variance and below CAM, while attaching closed-form equations to each detected edge (precision 0.756, recall 0.365). In a controlled bivariate test with known mechanisms, EML-CD recovers 10 of 11 elementary function families faithfully (held-out shape correlation >= 0.96; only high-frequency sine is partial). On a symbolic synthetic benchmark, EML-CD attains a substantially lower and more stable held-out mechanism f-MSE than a fixed SINDy dictionary (mean 3.67 vs. 7644, the latter inflated by catastrophic extrapolation on one seed), although its structure recovery (SHD 14.0) only matches the dictionary and stays below specialized optimizers; on the Causal Chambers light-tunnel subset, a depth-2 model improves F1 over linear OLS-BIC (0.444 vs. 0.273).

Sota Asanuma

SoftBank Corp.

Structural Causal Models Causal Structure Learning Causal Interpretability Symbolic Regression

Jun 3, 2026

Deliberate Evolution: Agentic Reasoning for Sample-Efficient Symbolic Regression with LLMs

Symbolic regression (SR) discovers compact mathematical expressions from data, yet recent LLM-based evolutionary methods remain sample-inefficient because they rely mainly on scalar feedback such as MSE. We identify a core limitation: existing methods conflate candidate proposal with search guidance, requiring the LLM to infer how to evolve an expression, diagnose its errors, and reuse past experience from a single score. To address this, we propose Deliberate Evolution (DE), an agentic framework that decouples symbolic generation from search control. DE guides LLM proposals with adaptive operators for search direction, analytical tools for structural diagnosis, and reflective memory for trajectory-level experience. Experiments on LLM-SRBench show that DE consistently outperforms representative LLM-based SR baselines across diverse scientific domains while using only 40% of the standard sample budget.

Xinyu Pang, Zhanke Zhou, Xuan Li +5

Beijing National Research Center for Information Science and Technology (BNRist), Department of Automation, Tsinghua University, Beijing, P.R. China · TMLR Group, Department of Computer Science, Hong Kong Baptist University · Lenovo Research

Large Language Model-Guided Optimization Large Language Model-Guided Scientific Discovery Symbolic Regression

Jun 1, 2026

Simultaneous Model-Based Evolution of Constants and Expression Structure in GP-GOMEA for Symbolic Regression

Genetic programming (GP) approaches are among the state-of-the-art for symbolic regression, the task of constructing symbolic expressions that fit well with data. To find highly accurate symbolic expressions, both the expression structure and any contained real-valued constants, are important. GP-GOMEA, a modern model-based evolutionary algorithm, is one of the leading algorithms for finding accurate, yet compact expressions. Yet, GP-GOMEA does not perform dedicated constant optimization, but rather uses ephemeral random constants. Hence, the accuracy of GP-GOMEA may well still be improved upon by the incorporation of a constant optimization mechanism. Existing research into mixed discrete-continuous optimization with EAs has shown that a simultaneous and well-integrated approach to optimizing both discrete and continuous parts, leads to the best results on a variety of problems, especially when there are interactions between these parts. In this paper, we therefore propose a novel approach where constants in expressions are optimized at the same time as the expression structure by merging the real-valued variant of GOMEA with GP-GOMEA. The proposed approach is compared to other forms of handling constants in GP-GOMEA, and in the context of other commonly used techniques such as linear scaling, restarts, and constant tuning after GP optimization. Our results indicate that our novel approach generally performs best and confirms the importance of simultaneous constant optimization during evolution.

Johannes Koch, Tanja Alderliesten, Peter A. N. Bosman

Centrum Wiskunde & Informatica, Amsterdam, The Netherlands · Delft University of Technology, Delft, The Netherlands · Leiden University Medical Center, Leiden, The Netherlands

Genetic Programming Genetic Algorithms Symbolic Regression

May 31, 2026

Data Enrichment for Symbolic Regression Using Diffusion Models

Symbolic regression (SR) offers a route to scientific discovery by converting observations into interpretable governing equations. However, despite its promise, its reliability degrades sharply when spatiotemporal measurements are sparse, noisy, or physically incomplete, as commonly occurring in practice. Data enrichment (DE) has been shown to be able to mitigate this limitation, yet additional samples can mislead equation discovery unless they preserve the physical structure of the target system. Such implication of DE requires narrow domain expertise as well as technical fluidity, highly limiting its practical usefulness. In this study, we introduce a physics-guided latent diffusion framework for DE for down the line SR models. The proposed framework combines a variational autoencoder, a conditional latent diffusion model, and a physics-informed residual corrector to complete sparse observations with synthetic fields constrained by governing relations. We evaluate the approach on heat conduction, incompressible Navier-Stokes flow, and a moving single-mass Newtonian gravitational potential, using GPLearn, DEAP, and PySR as downstream SR backends. Our results reveal that physics-corrected enrichment consistently improves recovery in sparse regimes across physical dynamics and SR models. These results show that generative enrichment can strengthen equation discovery without additional domain expertise.

Simon De Reuver, Tamas Kristof Toth, Teddy Lazebnik

Department of Computing, Jönköping University, Jönköping, Sweden · Department of Information Science, University of Haifa, Haifa, Israel

Physics-Informed Diffusion Models Physics-Informed Generative Modeling Synthetic Data Augmentation Latent Diffusion Models Physics-Informed ML Symbolic Regression

May 29, 2026

Discovering Thermodynamically Admissible Dissipation Potentials via Grammar-Based Symbolic Regression

Constitutive laws for inelastic materials must satisfy strict thermodynamic admissibility requirements, yet current data-driven approaches sacrifice interpretability, even when formal guarantees are provided by physics-encoded architectures. We propose a symbolic regression framework for the data-driven discovery of dissipation potentials governing the evolution of internal variables within the Generalized Standard Materials (GSM) formalism. Starting from the Clausius--Duhem inequality, we enforce the thermodynamic requirements, convexity and non-negativity, that the dual dissipation potential must satisfy to guarantee non-negative mechanical dissipation. These requirements are formulated in the general subdifferential setting, encompassing rate-dependent (viscoelastic) and viscoplastic dissipative mechanisms, including potentials with genuine elastic domains, within a unified framework. Candidate potentials are generated by a composition-extended convexity-preserving grammar that guarantees thermodynamic admissibility by construction. The framework is validated on synthetic datasets spanning Newtonian, power-law, and Bingham viscoplastic ground truths under process and measurement noise, and on experimental oscillatory shear measurements of a synthetic elastomer across multiple strain amplitudes and frequencies, where the discovered potentials reproduce the amplitude-dependent softening of the dynamic moduli and outperform a calibrated linear Zener baseline.

Federico Califano, Jacopo Ciambella

Materials Science Computational Materials Science Symbolic Regression

May 29, 2026

Learning Parametric Nitrogen Fertilizer Response Curves Using Neuro Symbolic Regression

Accurately modeling crop response to Nitrogen (N) fertilization is a fundamental challenge in precision agriculture, as it impacts both economic returns and environmental sustainability. Existing approaches either rely on predefined parametric forms or opaque machine learning models, limiting their ability to interpret or discover site-specific functional relationships from data. In this work, we propose a neuro symbolic regression (SR) approach to learn parametric N-response curves without assuming a predefined functional form. Our approach integrates a transformer-based Multi-Set Symbolic Skeleton Prediction strategy, enabling the discovery of shared functional structures across multiple subdomains or management zones (MZs). By constructing diverse input subsets and enforcing consistency across them, the method recovers robust symbolic skeletons that are subsequently fitted to observed data using a genetic algorithm. This framework was first evaluated on synthetic one-dimensional problems to assess its robustness under varying levels of epistemic uncertainty. The results demonstrate the ability of the proposed SR approach to recover correct expressions even in data-scarce regimes. In this work, we present the results of applying our method to real-world winter wheat data, learning distinct parametric N-response curves for different MZs within a field. The results show that the discovered expressions not only achieve lower fitting errors than traditional models such as quadratic-plateau and exponential functions, but also capture diverse functional behaviors across spatial regions. This demonstrates the potential that neuro SR has to enable the discovery of site-specific agronomic relationships and support informed decision-making in precision agriculture.

Giorgio Morales, John Sheppard

Aston Centre for Artificial Intelligence Research and Application, Aston University, Birmingham, UK · Gianforte School of Computing, Montana State University, Bozeman, US

Precision Agriculture Symbolic Regression

May 29, 2026

GP-GOMEA with GPU-Based Fitness Evaluations: Design and Performance Analysis

GP-GOMEA is a state-of-the-art evolutionary algorithm for symbolic regression, known for discovering small and interpretable models. However, its computational cost remains substantial, limiting its applicability to larger datasets and more complex target expressions. In contrast, the rise of modern subsymbolic approaches, particularly deep learning, has been driven largely by the massive parallelism offered by GPUs. In this work, we take the first major step toward a fully GPU-accelerated GP-GOMEA by introducing a GPU-based fitness evaluation scheme. We design a GPU-friendly representation of GP-GOMEA's template-based individuals and a corresponding evaluation strategy that exploits the inherent parallelism of population-based search. This substantially increases evaluation throughput, enabling orders of magnitude more evaluations within the same time budget. Across four standard symbolic regression benchmarks, this increased evaluation capacity yields performance improvements, particularly for larger datasets and larger population sizes. Moreover, the ability to efficiently evaluate much larger datasets and more complex templates enables analyses that were previously infeasible, allowing us to systematically analyze what makes expressions increasingly difficult for GP-GOMEA, providing new insights into how expression structure affects search difficulty. Finally, for the first time, this expanded capability allows a problem-agnostic evolutionary algorithm to reliably regress one of the largest Feynman equations within four hours.

Jasper Post, Johannes Koch, Anton Bouter +2

Centrum Wiskunde & Informatica, Amsterdam, The Netherlands · Delft University of Technology, Delft, The Netherlands · Leiden University Medical Center, Leiden, The Netherlands

GPU Acceleration Evolutionary Optimization Genetic Programming Symbolic Regression

May 27, 2026

Influence-Guided Symbolic Regression: Scientific Discovery via LLM-Driven Equation Search with Granular Feedback

Large Language Models (LLMs) offer a promising avenue for scientific discovery, yet their application to symbolic regression is often constrained by inefficient search strategies and coarse feedback signals. Current methods typically guide LLMs using scalar metrics (e.g., global Mean Squared Error), which fail to identify which components of a proposed equation are driving performance or causing error. We introduce Influence-Guided Symbolic Regression (IGSR), a method that frames equation discovery as an iterative two-step process combining diverse term generation with rigorous selection: an LLM generates candidate basis functions

ψ_j(\mathbf{x})

for a linear model, which are then evaluated using granular influence scores

Δ_j

. These scores quantify each term's marginal contribution to generalization accuracy, enabling an influence-guided pruning process that systematically refines the model structure. Integrating this mechanism into a Monte Carlo Tree Search (MCTS) enables navigating the combinatorial search space while balancing exploration of novel functional forms with exploitation of high-influence components. We demonstrate IGSR's effectiveness on a diverse suite of benchmarks, including LLM-SRBench, pharmacological PKPD models, an epidemiological simulation, and real-world genomic data. Notably, we validate the framework's capacity for genuine discovery in a case study using a high-dimensional biological dataset, in which IGSR identified a novel relationship between DNA methylation and RNA Polymerase II pausing; a hypothesis that was subsequently supported via wet-lab experimentation.

Evgeny S. Saveliev, Samuel Holt, Nabeel Seedat +3

University of Cambridge · Thomson Reuters Foundational Research · U. Colorado, Anschutz Medical Campus +1

Genomics Large Language Model-Guided Scientific Discovery Symbolic Regression

May 26, 2026

Symbolic Regression via Latent Iterative Refinement

Symbolic regression (SR) seeks closed-form mathematical expressions that fit observed data. Neural SR methods amortize the search by training an encoder to map observations directly to expressions in a single pass, but this amortized inference leaves a residual amortization gap between its one-shot prediction and the true posterior. We propose Latent Equation Embedding (LEE), a framework that closes this gap through iterative amortized inference in a functionally grounded latent space. LEE learns a shared latent space Z equipped with three components: an encoder f_theta that jointly embeds symbolic tokens and numerical observations into a single latent vector z; an expression decoder g_expr that reconstructs formulas from z; and an evaluation decoder g_eval that predicts function values from z, explicitly grounding the latent space in functional behavior. At inference, LEE performs iterative refinement by re-encoding decoded expressions jointly with observations, progressively improving the latent estimate. LEE uses the encoder itself as a learned inference optimizer: each re-encoding step implicitly computes the mismatch between the candidate and the data. Because g_eval is differentiable in z, we additionally interleave continuous gradient descent with discrete re-encoding, yielding a hybrid iterative and gradient refinement procedure. On SRBench across three noise levels, against 19 baselines spanning genetic programming, symbolic-neural hybrids, and pre-trained Transformers, LEE produces expressions 2--10x simpler than the strongest accuracy-oriented baselines, including Operon, GP-GOMEA, TPSR, RAG-SR, and GenSR, with complexity 8--11 versus 20--90. These results advance the low-complexity region of the accuracy-complexity Pareto frontier and show graceful degradation as noise increases.

Xieting Chu, Sriram Vishwanath, Vijay Ganesh

Georgia Institute of Technology

Latent Variable Models Amortized Inference Symbolic Regression

May 22, 2026

When Good Equations Get Bad Scores: Improving Symbolic Regression Through Better Parameter Optimization

Symbolic Regression (SR) plays a central role in scientific knowledge discovery by distilling mathematical equations from observational data. Most existing SR methods function within a bi-level optimization framework: an outer loop that searches for the discrete equation structure, and an inner loop that optimizes the continuous parameters of that structure. Crucially, parameter-fitting quality directly determines a structure's score and thus the outer-loop search. However, nonlinear operators make the inner loop highly non-convex, and budget-driven reliance on fast local solvers (e.g., BFGS) often yields poor local minima and underestimated scores for correct structures. This ``Good Structure, Bad Score'' phenomenon becomes a key bottleneck, degrading efficiency and misguiding the search away from the true equation. To resolve this, we propose SAGE-Fit (Structure-Aware and Semantics-Guided Evaluator for Symbolic Regression), an SR-native fitting framework that exploits the dual native priors of symbolic expressions. By capitalizing on the structural and semantic priors unique to SR, we design tailored modules for each property, thereby effectively mitigating this optimization bottleneck. Extensive experiments demonstrate that our approach, as a plug-and-play module, significantly enhances evaluation fidelity and universally improves the performance of various SR systems.

Boxiao Wang, Kai Li, Zhiwei Chen +5

Institute of Automation, Chinese Academy of Sciences

Scientific Discovery Symbolic Regression

May 21, 2026

Guiding Multi-Objective Genetic Programming with Description Length Improves Symbolic Regression Solutions

Symbolic regression with genetic programming (GPSR) may suffer from overfitting and structural bloat, especially when noise is present. In this paper we evaluate description length (DL) and fractional Bayes factor (FBF) criteria as principled, data-efficient alternatives to heuristics for selecting compact expressions that generalise well. We implement DL using a Fisher-information-based parameter encoding and compare it to AIC and BIC across multiple datasets, including noisy synthetic benchmarks and real-world regression problems. We study three search/selection strategies: (i) multi-objective search for accuracy and program length followed by DL/FBF selection; (ii) multi-objective search using DL directly as an objective; and (iii) single-objective optimisation with DL/FBF as the fitness. Across datasets we find that DL/FBF post-selection improves test performance compared to AIC/BIC baseline and that BIC in combination with the same function complexity penalty from DL/FBF produces similar results. In contrast, using DL/FBF directly as a fitness function in single-objective GPSR frequently induces premature convergence to overly simple models. We conclude with practical guidance for using DL/FBF as robust model-selection tools in genetic programming workflows.

Gabriel Kronberger, Fabricio Olivetti de Franca, Deaglan J. Bartlett +2

Heuristic and Evolutionary Algorithms Laboratory University of Applied Sciences Upper Austria Softwarepark 11, 4232 Hagenberg, Austria · Center of Mathematics, Computing and Cognition Federal University of ABC Av. dos Estados 5001, Santo Andre, 09280-560, SP, Brazil · Astrophysics, University of Oxford Denys Wilkinson Building, Keble Road, Oxford, OX1 3RH, UK +1

Minimum Description Length Genetic Programming Symbolic Regression

May 18, 2026

STRIDE: A Self-Reflective Agent Framework for Reliable Automatic Equation Discovery

LLM-based equation discovery offers a promising route to recovering symbolic laws from data, but many systems still rely on generation-centered loops that propose candidates, fit parameters, score results, and reuse selected examples. Such loops can misjudge useful skeletons under unreliable fitting, discard near-correct equations that require repair, and accumulate redundant memories that provide limited guidance. We propose STRIDE, a self-reflective agent framework that improves reliability by coordinating data-aware generation, mixed-fitting evaluation, critic--executor repair, and diversity-preserving semantic memory. By turning fitted scores and candidate behavior into shared feedback, STRIDE enables equations to be proposed, assessed, refined, and reused within a closed-loop discovery process. Experiments on representative symbolic-regression benchmarks and LSR-Synth suites show that STRIDE improves accuracy, OOD robustness, and structural recovery across multiple LLM backbones, with ablations and analyses confirming the contribution of its core components.

Jiarui Su, Songjun Tu, Bei Sun +1

Central South University · Institute of Automation, Chinese Academy of Sciences · Pengcheng Laboratory

LLM Self-Refinement AI Agents for Scientific Discovery Scientific Discovery LLM Agent Reliability Memory-Augmented Language Model Agents Symbolic Regression