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Evolutionary symbolic regression (SR) fits a symbolic equation to data, which gives a concise interpretable model. We explore using SR as a method to propose which data to gather in an active learning setting with physical constraints. SR…

Machine Learning · Computer Science 2024-08-13 Jorge Medina , Andrew D. White

All-atom dynamics simulations are an indispensable quantitative tool in physics, chemistry, and materials science, but large systems and long simulation times remain challenging due to the trade-off between computational efficiency and…

Materials Science · Physics 2024-03-21 Stephen R. Xie , Matthias Rupp , Richard G. Hennig

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

Symbolic regression (SR) aims to discover the underlying mathematical expressions that explain observed data. This holds promise for both gaining scientific insight and for producing inherently interpretable and generalizable models for…

Machine Learning · Computer Science 2026-02-05 David Otte , Jörg K. H. Franke , Arbër Zela , Fábio Ferreira , Frank Hutter

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 (SR) methods attempt to learn mathematical expressions that approximate the behavior of an observed system. However, when dealing with multivariate systems, they often fail to identify the functional form that explains…

Machine Learning · Computer Science 2024-06-27 Giorgio Morales , John W. Sheppard

Symbolic regression is emerging as a promising machine learning method for learning succinct underlying interpretable mathematical expressions directly from data. Whereas it has been traditionally tackled with genetic programming, it has…

Machine Learning · Computer Science 2025-01-14 Nour Makke , Sanjay Chawla

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 (SR) models complex systems by discovering mathematical expressions that capture underlying relationships in observed data. However, most SR methods prioritize minimizing prediction error over identifying the governing…

Machine Learning · Computer Science 2026-03-31 Giorgio Morales , John W. Sheppard

Machine learning (ML) is widely used to explore crystal materials and predict their properties. However, the training is time-consuming for deep-learning models, and the regression process is a black box that is hard to interpret. Also, the…

Materials Science · Physics 2023-08-22 Xinyu Jiang , Haofan Sun , Kamal Choudhary , Houlong Zhuang , Qiong Nian

The prediction of product translational, vibrational, and rotational energy distributions for arbitrary initial conditions for reactive atom+diatom collisions is of considerable practical interest in atmospheric re-entry. Due to the large…

Chemical Physics · Physics 2023-06-23 Juan Carlos San Vicente Veliz , Julian Arnold , Raymond J. Bemish , Markus Meuwly

This tutorial paper provides a general overview of symbolic regression (SR) with specific focus on standards of interpretability. We posit that interpretable modeling, although its definition is still disputed in the literature, is a…

Machine Learning · Computer Science 2023-06-02 Jennifer J. Schnur , Nitesh V. Chawla

Symbolic regression (SR) is a powerful technique for discovering the analytical mathematical expression from data, finding various applications in natural sciences due to its good interpretability of results. However, existing methods face…

Machine Learning · Computer Science 2024-07-11 Xieting Chu , Hongjue Zhao , Enze Xu , Hairong Qi , Minghan Chen , Huajie Shao

[RETRACTED]Data increasingly abounds, but distilling their underlying relationships down to something interpretable remains challenging. One approach is genetic programming, which `symbolically regresses' a data set down into an equation.…

Neural and Evolutionary Computing · Computer Science 2025-10-23 Amanda Bertschinger , James Bagrow , Joshua Bongard

Over the past decade inter-atomic potentials based on machine-learning (ML) techniques have become an indispensable tool in the atomic-scale modeling of materials. Trained on energies and forces obtained from electronic-structure…

Materials Science · Physics 2022-08-15 Michele Ceriotti

Describing the world behavior through mathematical functions help scientists to achieve a better understanding of the inner mechanisms of different phenomena. Traditionally, this is done by deriving new equations from first principles and…

Mathematical formulas are the crystallization of human wisdom in exploring the laws of nature for thousands of years. Describing the complex laws of nature with a concise mathematical formula is a constant pursuit of scientists and a great…

Machine Learning · Computer Science 2024-09-20 Yanjie Li , Jingyi Liu , Weijun Li , Lina Yu , Min Wu , Wenqiang Li , Meilan Hao , Su Wei , Yusong Deng

Symbolic regression (SR) is an emerging branch of machine learning focused on discovering simple and interpretable mathematical expressions from data. Although a wide-variety of SR methods have been developed, they often face challenges…

Machine Learning · Computer Science 2025-02-06 Madhav R. Muthyala , Farshud Sorourifar , You Peng , Joel A. Paulson

Symbolic Regression (SR) is a type of regression analysis to automatically find the mathematical expression that best fits the data. Currently, SR still basically relies on various searching strategies so that a sample-specific model is…

Computer Vision and Pattern Recognition · Computer Science 2022-06-16 Jiachen Li , Ye Yuan , Hong-Bin Shen

Machine learning is rapidly making its path into natural sciences, including high-energy physics. We present the first study that infers, directly from experimental data, a functional form of fragmentation functions. The latter represent a…

High Energy Physics - Phenomenology · Physics 2025-01-14 Nour Makke , Sanjay Chawla