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Related papers: Symbolic Regression in Materials Science

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In symbolic regression, the goal is to find an analytical expression that accurately fits experimental data with the minimal use of mathematical symbols such as operators, variables, and constants. However, the combinatorial space of…

Machine Learning · Computer Science 2023-04-21 Tommaso Bendinelli , Luca Biggio , Pierre-Alexandre Kamienny

In recent years there has been great progress in the use of machine learning algorithms to develop interatomic potential models. Machine-learned potential models are typically orders of magnitude faster than density functional theory but…

Materials Science · Physics 2023-03-28 Alberto Hernandez , Tim Mueller

Model-based approaches for (bio)process systems often suffer from incomplete knowledge of the underlying physical, chemical, or biological laws. Universal differential equations, which embed neural networks within differential equations,…

Machine Learning · Statistics 2026-05-20 Arno Strouwen

Symbolic regression (SR) uncovers mathematical models from data. Several benchmarks have been proposed to compare the performance of SR algorithms. However, existing ground-truth rediscovery benchmarks overemphasize the recovery of "the…

Machine Learning · Computer Science 2025-08-21 Viktor Martinek

We study the modeling and prediction of dynamical systems based on conventional models derived from measurements. Such algorithms are highly desirable in situations where the underlying dynamics are hard to model from physical principles or…

Data Analysis, Statistics and Probability · Physics 2016-08-03 Markus Quade , Markus Abel , Kamran Shafi , Robert K. Niven , Bernd R. Noack

The development of next-generation molecular simulation models requires moving beyond pre-defined functional forms toward machine learning (ML) techniques that directly capture multiscale physics. Here, we demonstrate such an approach using…

Symbolic Regression (SR) offers an interpretable alternative to conventional Machine-Learning (ML) approaches, which are often criticized as ``black boxes''. In contrast to standard regression models that require a prescribed functional…

Artificial Intelligence · Computer Science 2026-05-05 Theofanis Aravanis , Grigorios Chrimatopoulos , Mohammad Ferdows , Michalis Xenos , Efstratios Em Tzirtzilakis

We demonstrate the efficacy of symbolic regression (SR) to probe models of particle physics Beyond the Standard Model (BSM), by considering the so-called Constrained Minimal Supersymmetric Standard Model (CMSSM). Like many incarnations of…

High Energy Physics - Phenomenology · Physics 2025-10-24 Shehu AbdusSalam , Steven Abel , Deaglan Bartlett , Miguel Crispim Romão

We study the potential of symbolic regression (SR) to derive compact and precise analytic expressions that can improve the accuracy and simplicity of phenomenological analyses at the Large Hadron Collider (LHC). As a benchmark, we apply SR…

High Energy Physics - Phenomenology · Physics 2024-12-12 Manuel Morales-Alvarado , Daniel Conde , Josh Bendavid , Veronica Sanz , Maria Ubiali

Symbolic regression is essential for deriving interpretable expressions that elucidate complex phenomena by exposing the underlying mathematical and physical relationships in data. In this paper, we present an advanced symbolic regression…

Machine Learning · Computer Science 2025-03-13 Sikai Huang , Yixin Berry Wen , Tara Adusumilli , Kusum Choudhary , Haizhao Yang

Reinforcement learning algorithms can solve dynamic decision-making and optimal control problems. With continuous-valued state and input variables, reinforcement learning algorithms must rely on function approximators to represent the value…

Machine Learning · Computer Science 2021-11-16 Jiří Kubalík , Erik Derner , Jan Žegklitz , Robert Babuška

Symbolic Regression (SR) is a regression method that aims to discover mathematical expressions that describe the relationship between variables, and it is often implemented through Genetic Programming, a metaphor for the process of…

Neural and Evolutionary Computing · Computer Science 2025-12-02 Guilherme Seidyo Imai Aldeia

Symbolic regression (SR) aims to discover concise closed-form mathematical equations from data, a task fundamental to scientific discovery. However, the problem is highly challenging because closed-form equations lie in a complex…

Machine Learning · Computer Science 2024-01-02 Samuel Holt , Zhaozhi Qian , Mihaela van der Schaar

We present a Machine Learning approach based on Symbolic Regression to derive, from either numerically generated or experimentally measured spectral data, closed-form expressions that model the optical properties of biological materials. To…

Computational Physics · Physics 2025-08-26 Julian Sierra-Velez , Alexandre Vial , Marina Inchaussandague , Diana Skigin , Demetrio Macías

We investigate the use of machine learning for solving analytic problems in theoretical physics. In particular, symbolic regression (SR) is making rapid progress in recent years as a tool to fit data using functions whose overall form is…

Computational Physics · Physics 2024-03-21 Sahel Ashhab

Symbolic regression searches for analytic expressions that accurately describe studied phenomena. The main attraction of this approach is that it returns an interpretable model that can be insightful to users. Historically, the majority of…

Symbolic regression is a technique that can automatically derive analytic models from data. Traditionally, symbolic regression has been implemented primarily through genetic programming that evolves populations of candidate solutions…

Neural and Evolutionary Computing · Computer Science 2025-04-24 Jiří Kubalík , Robert Babuška

We introduce an Invertible Symbolic Regression (ISR) method. It is a machine learning technique that generates analytical relationships between inputs and outputs of a given dataset via invertible maps (or architectures). The proposed ISR…

Machine Learning · Computer Science 2024-05-14 Tony Tohme , Mohammad Javad Khojasteh , Mohsen Sadr , Florian Meyer , Kamal Youcef-Toumi

Recently, several algorithms for symbolic regression (SR) emerged which employ a form of multiple linear regression (LR) to produce generalized linear models. The use of LR allows the algorithms to create models with relatively small error…

Machine Learning · Computer Science 2017-03-13 Jan Žegklitz , Petr Pošík

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…

Machine Learning · Computer Science 2022-12-21 David Piringer , Bernhard Bloder , Gabriel Kronberger