arXiv subjects

Gabriel Kronberger

Publications and source records attributed to Gabriel Kronberger.

At least 19 recordsLinked to original sources

arXiv2026

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.

cs.NE↗

arXiv2026

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.

cs.NE↗

arXiv2026

A Comparative Study of Model Selection Criteria for Symbolic Regression

Effective model selection is critical in symbolic regression (SR) to identify mathematical expressions that balance accuracy and complexity, and have low expected error on unseen data. Many modern implementations of genetic programming (GP) for SR generate a set of Pareto optimal candidate solutions, but reliable automatic selection of solutions that generalize well remains an open issue. Current literature offers various information-theoretic and Bayesian approaches, yet comprehensive comparisons of their performance across different data regimes are limited. This study presents a systematic empirical comparison of widely used selection criteria: the Akaike information criterion (AIC), the corrected AIC (AICc), the Bayesian information criterion (BIC), minimum description length (MDL), as well as Efron's bootstrap estimate for the in-sample prediction error on seven synthetic datasets with Gaussian noise. We rank candidate expressions generated by perturbing ground-truth functions to assess generalization error and selection probability of the ground-truth expression. Our findings reveal that MDL consistently identifies models with the lowest test error and the shortest length across most datasets. While no single criterion dominates all results, MDL and BIC produced the highest probability of selecting the ground-truth expressions.

cs.LG↗

arXiv2025

Introduction to Symbolic Regression in the Physical Sciences

Symbolic regression (SR) has emerged as a powerful method for uncovering interpretable mathematical relationships from data, offering a novel route to both scientific discovery and efficient empirical modelling. This article introduces the Special Issue on Symbolic Regression for the Physical Sciences, motivated by the Royal Society discussion meeting held in April 2025. The contributions collected here span applications from automated equation discovery and emergent-phenomena modelling to the construction of compact emulators for computationally expensive simulations. The introductory review outlines the conceptual foundations of SR, contrasts it with conventional regression approaches, and surveys its main use cases in the physical sciences, including the derivation of effective theories, empirical functional forms and surrogate models. We summarise methodological considerations such as search-space design, operator selection, complexity control, feature selection, and integration with modern AI approaches. We also highlight ongoing challenges, including scalability, robustness to noise, overfitting and computational complexity. Finally we emphasise emerging directions, particularly the incorporation of symmetry constraints, asymptotic behaviour and other theoretical information. Taken together, the papers in this Special Issue illustrate the accelerating progress of SR and its growing relevance across the physical sciences.

cs.LG↗

arXiv2025

Can Synthetic Data Improve Symbolic Regression Extrapolation Performance?

Many machine learning models perform well when making predictions within the training data range, but often struggle when required to extrapolate beyond it. Symbolic regression (SR) using genetic programming (GP) can generate flexible models but is prone to unreliable behaviour in extrapolation. This paper investigates whether adding synthetic data can help improve performance in such cases. We apply Kernel Density Estimation (KDE) to identify regions in the input space where the training data is sparse. Synthetic data is then generated in those regions using a knowledge distillation approach: a teacher model generates predictions on new input points, which are then used to train a student model. We evaluate this method across six benchmark datasets, using neural networks (NN), random forests (RF), and GP both as teacher models (to generate synthetic data) and as student models (trained on the augmented data). Results show that GP models can often improve when trained on synthetic data, especially in extrapolation areas. However, the improvement depends on the dataset and teacher model used. The most important improvements are observed when synthetic data from GPe is used to train GPp in extrapolation regions. Changes in interpolation areas show only slight changes. We also observe heterogeneous errors, where model performance varies across different regions of the input space. Overall, this approach offers a practical solution for better extrapolation. Note: An earlier version of this work appeared in the GECCO 2025 Workshop on Symbolic Regression. This arXiv version corrects several parts of the original submission.

cs.LG↗

arXiv2025

Identification of Empirical Constitutive Models for Age-Hardenable Aluminium Alloy and High-Chromium Martensitic Steel Using Symbolic Regression

Process-structure-property relationships are fundamental in materials science and engineering and are key to the development of new and improved materials. Symbolic regression serves as a powerful tool for uncovering mathematical models that describe these relationships. It can automatically generate equations to predict material behaviour under specific manufacturing conditions and optimize performance characteristics such as strength and elasticity. The present work illustrates how symbolic regression can derive constitutive models that describe the behaviour of various metallic alloys during plastic deformation. Constitutive modelling is a mathematical framework for understanding the relationship between stress and strain in materials under different loading conditions. In this study, two materials (age-hardenable aluminium alloy and high-chromium martensitic steel) and two different testing methods (compression and tension) are considered to obtain the required stress-strain data. The results highlight the benefits of using symbolic regression while also discussing potential challenges.

cond-mat.mtrl-sci↗

arXiv2025

Equality Graph Assisted Symbolic Regression

In Symbolic Regression (SR), Genetic Programming (GP) is a popular search algorithm that delivers state-of-the-art results in term of accuracy. Its success relies on the concept of neutrality, which induces large plateaus that the search can safely navigate to more promising regions. Navigating these plateaus, while necessary, requires the computation of redundant expressions, up to 60% of the total number of evaluation, as noted in a recent study. The equality graph (e-graph) structure can compactly store and group equivalent expressions enabling us to verify if a given expression and their variations were already visited by the search, thus enabling us to avoid unnecessary computation. We propose a new search algorithm for symbolic regression called SymRegg that revolves around the e-graph structure following simple steps: perturb solutions sampled from a selection of expressions stored in the e-graph, if it generates an unvisited expression, insert it into the e-graph and generates its equivalent forms. We show that SymRegg is capable of improving the efficiency of the search, maintaining consistently accurate results across different datasets while requiring a choice of a minimalist set of hyperparameters.

cs.LG↗

arXiv2025

syren-baryon: Analytic emulators for the impact of baryons on the matter power spectrum

Baryonic physics has a considerable impact on the distribution of matter in our Universe on scales probed by current and future cosmological surveys, acting as a key systematic in such analyses. We seek simple symbolic parametrisations for the impact of baryonic physics on the matter power spectrum for a range of physically motivated models, as a function of wavenumber, redshift, cosmology, and parameters controlling the baryonic feedback. We use symbolic regression to construct analytic approximations for the ratio of the matter power spectrum in the presence of baryons to that without such effects. We obtain separate functions of each of four distinct sub-grid prescriptions of baryonic physics from the CAMELS suite of hydrodynamical simulations (Astrid, IllustrisTNG, SIMBA and Swift-EAGLE) as well as for a baryonification algorithm. We also provide functions which describe the uncertainty on these predictions, due to both the stochastic nature of baryonic physics and the errors on our fits. The error on our approximations to the hydrodynamical simulations is comparable to the sample variance estimated through varying initial conditions, and our baryonification expression has a root mean squared error of better than one percent, although this increases on small scales. These errors are comparable to those of previous numerical emulators for these models. Our expressions are enforced to have the physically correct behaviour on large scales and at high redshift. Due to their analytic form, we are able to directly interpret the impact of varying cosmology and feedback parameters, and we can identify parameters which have little to no effect. Each function is based on a different implementation of baryonic physics, and can therefore be used to discriminate between these models when applied to real data. We provide publicly available code for all symbolic approximations found.

astro-ph.CO↗

arXiv2025

Improving Genetic Programming for Symbolic Regression with Equality Graphs

The search for symbolic regression models with genetic programming (GP) has a tendency of revisiting expressions in their original or equivalent forms. Repeatedly evaluating equivalent expressions is inefficient, as it does not immediately lead to better solutions. However, evolutionary algorithms require diversity and should allow the accumulation of inactive building blocks that can play an important role at a later point. The equality graph is a data structure capable of compactly storing expressions and their equivalent forms allowing an efficient verification of whether an expression has been visited in any of their stored equivalent forms. We exploit the e-graph to adapt the subtree operators to reduce the chances of revisiting expressions. Our adaptation, called eggp, stores every visited expression in the e-graph, allowing us to filter out from the available selection of subtrees all the combinations that would create already visited expressions. Results show that, for small expressions, this approach improves the performance of a simple GP algorithm to compete with PySR and Operon without increasing computational cost. As a highlight, eggp was capable of reliably delivering short and at the same time accurate models for a selected set of benchmarks from SRBench and a set of real-world datasets.

cs.LG↗

arXiv2025

rEGGression: an Interactive and Agnostic Tool for the Exploration of Symbolic Regression Models

Regression analysis is used for prediction and to understand the effect of independent variables on dependent variables. Symbolic regression (SR) automates the search for non-linear regression models, delivering a set of hypotheses that balances accuracy with the possibility to understand the phenomena. Many SR implementations return a Pareto front allowing the choice of the best trade-off. However, this hides alternatives that are close to non-domination, limiting these choices. Equality graphs (e-graphs) allow to represent large sets of expressions compactly by efficiently handling duplicated parts occurring in multiple expressions. E-graphs allow to store and query all SR solution candidates visited in one or multiple GP runs efficiently and open the possibility to analyse much larger sets of SR solution candidates. We introduce rEGGression, a tool using e-graphs to enable the exploration of a large set of symbolic expressions which provides querying, filtering, and pattern matching features creating an interactive experience to gain insights about SR models. The main highlight is its focus in the exploration of the building blocks found during the search that can help the experts to find insights about the studied phenomena.This is possible by exploiting the pattern matching capability of the e-graph data structure.

cs.LG↗

arXiv2024

A Comparison of Recent Algorithms for Symbolic Regression to Genetic Programming

Symbolic regression is a machine learning method with the goal to produce interpretable results. Unlike other machine learning methods such as, e.g. random forests or neural networks, which are opaque, symbolic regression aims to model and map data in a way that can be understood by scientists. Recent advancements, have attempted to bridge the gap between these two fields; new methodologies attempt to fuse the mapping power of neural networks and deep learning techniques with the explanatory power of symbolic regression. In this paper, we examine these new emerging systems and test the performance of an end-to-end transformer model for symbolic regression versus the reigning traditional methods based on genetic programming that have spearheaded symbolic regression throughout the years. We compare these systems on novel datasets to avoid bias to older methods who were improved on well-known benchmark datasets. Our results show that traditional GP methods as implemented e.g., by Operon still remain superior to two recently published symbolic regression methods.

cs.LG↗

arXiv2024

The Inefficiency of Genetic Programming for Symbolic Regression

We analyse the search behaviour of genetic programming for symbolic regression in practically relevant but limited settings, allowing exhaustive enumeration of all solutions. This enables us to quantify the success probability of finding the best possible expressions, and to compare the search efficiency of genetic programming to random search in the space of semantically unique expressions. This analysis is made possible by improved algorithms for equality saturation, which we use to improve the Exhaustive Symbolic Regression algorithm; this produces the set of semantically unique expression structures, orders of magnitude smaller than the full symbolic regression search space. We compare the efficiency of random search in the set of unique expressions and genetic programming. For our experiments we use two real-world datasets where symbolic regression has been used to produce well-fitting univariate expressions: the Nikuradse dataset of flow in rough pipes and the Radial Acceleration Relation of galaxy dynamics. The results show that genetic programming in such limited settings explores only a small fraction of all unique expressions, and evaluates expressions repeatedly that are congruent to already visited expressions.

cs.NE↗

arXiv2024

A precise symbolic emulator of the linear matter power spectrum

Computing the matter power spectrum, $P(k)$, as a function of cosmological parameters can be prohibitively slow in cosmological analyses, hence emulating this calculation is desirable. Previous analytic approximations are insufficiently accurate for modern applications, so black-box, uninterpretable emulators are often used. We utilise an efficient genetic programming based symbolic regression framework to explore the space of potential mathematical expressions which can approximate the power spectrum and $σ_8$. We learn the ratio between an existing low-accuracy fitting function for $P(k)$ and that obtained by solving the Boltzmann equations and thus still incorporate the physics which motivated this earlier approximation. We obtain an analytic approximation to the linear power spectrum with a root mean squared fractional error of 0.2% between $k = 9\times10^{-3} - 9 \, h{\rm \, Mpc^{-1}}$ and across a wide range of cosmological parameters, and we provide physical interpretations for various terms in the expression. Our analytic approximation is 950 times faster to evaluate than camb and 36 times faster than the neural network based matter power spectrum emulator BACCO. We also provide a simple analytic approximation for $σ_8$ with a similar accuracy, with a root mean squared fractional error of just 0.1% when evaluated across the same range of cosmologies. This function is easily invertible to obtain $A_{\rm s}$ as a function of $σ_8$ and the other cosmological parameters, if preferred. It is possible to obtain symbolic approximations to a seemingly complex function at a precision required for current and future cosmological analyses without resorting to deep-learning techniques, thus avoiding their black-box nature and large number of parameters. Our emulator will be usable long after the codes on which numerical approximations are built become outdated.

astro-ph.CO↗

arXiv2023

Learning Difference Equations with Structured Grammatical Evolution for Postprandial Glycaemia Prediction

People with diabetes must carefully monitor their blood glucose levels, especially after eating. Blood glucose regulation requires a proper combination of food intake and insulin boluses. Glucose prediction is vital to avoid dangerous post-meal complications in treating individuals with diabetes. Although traditional methods, such as artificial neural networks, have shown high accuracy rates, sometimes they are not suitable for developing personalised treatments by physicians due to their lack of interpretability. In this study, we propose a novel glucose prediction method emphasising interpretability: Interpretable Sparse Identification by Grammatical Evolution. Combined with a previous clustering stage, our approach provides finite difference equations to predict postprandial glucose levels up to two hours after meals. We divide the dataset into four-hour segments and perform clustering based on blood glucose values for the twohour window before the meal. Prediction models are trained for each cluster for the two-hour windows after meals, allowing predictions in 15-minute steps, yielding up to eight predictions at different time horizons. Prediction safety was evaluated based on Parkes Error Grid regions. Our technique produces safe predictions through explainable expressions, avoiding zones D (0.2% average) and E (0%) and reducing predictions on zone C (6.2%). In addition, our proposal has slightly better accuracy than other techniques, including sparse identification of non-linear dynamics and artificial neural networks. The results demonstrate that our proposal provides interpretable solutions without sacrificing prediction accuracy, offering a promising approach to glucose prediction in diabetes management that balances accuracy, interpretability, and computational efficiency.

cs.LG↗

arXiv2022

Steel Phase Kinetics Modeling using Symbolic Regression

We describe an approach for empirical modeling of steel phase kinetics based on symbolic regression and genetic programming. The algorithm takes processed data gathered from dilatometer measurements and produces a system of differential equations that models the phase kinetics. Our initial results demonstrate that the proposed approach allows to identify compact differential equations that fit the data. The model predicts ferrite, pearlite and bainite formation for a single steel type. Martensite is not yet included in the model. Future work shall incorporate martensite and generalize to multiple steel types with different chemical compositions.

cs.LG↗

arXiv2022

Identifying Differential Equations to predict Blood Glucose using Sparse Identification of Nonlinear Systems

Describing dynamic medical systems using machine learning is a challenging topic with a wide range of applications. In this work, the possibility of modeling the blood glucose level of diabetic patients purely on the basis of measured data is described. A combination of the influencing variables insulin and calories are used to find an interpretable model. The absorption speed of external substances in the human body depends strongly on external influences, which is why time-shifts are added for the influencing variables. The focus is put on identifying the best timeshifts that provide robust models with good prediction accuracy that are independent of other unknown external influences. The modeling is based purely on the measured data using Sparse Identification of Nonlinear Dynamics. A differential equation is determined which, starting from an initial value, simulates blood glucose dynamics. By applying the best model to test data, we can show that it is possible to simulate the long-term blood glucose dynamics using differential equations and few, influencing variables.

cs.LG↗

arXiv2022

Symbolic Regression with Fast Function Extraction and Nonlinear Least Squares Optimization

Fast Function Extraction (FFX) is a deterministic algorithm for solving symbolic regression problems. We improve the accuracy of FFX by adding parameters to the arguments of nonlinear functions. Instead of only optimizing linear parameters, we optimize these additional nonlinear parameters with separable nonlinear least squared optimization using a variable projection algorithm. Both FFX and our new algorithm is applied on the PennML benchmark suite. We show that the proposed extensions of FFX leads to higher accuracy while providing models of similar length and with only a small increase in runtime on the given data. Our results are compared to a large set of regression methods that were already published for the given benchmark suite.

cs.LG↗

arXiv2022

Comparing Shape-Constrained Regression Algorithms for Data Validation

Industrial and scientific applications handle large volumes of data that render manual validation by humans infeasible. Therefore, we require automated data validation approaches that are able to consider the prior knowledge of domain experts to produce dependable, trustworthy assessments of data quality. Prior knowledge is often available as rules that describe interactions of inputs with regard to the target e.g. the target must be monotonically decreasing and convex over increasing input values. Domain experts are able to validate multiple such interactions at a glance. However, existing rule-based data validation approaches are unable to consider these constraints. In this work, we compare different shape-constrained regression algorithms for the purpose of data validation based on their classification accuracy and runtime performance.

cs.LG↗