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Related papers: Symbolic Regression in Materials Science

200 papers

Symbolic Regression (SR) holds great potential for uncovering underlying mathematical and physical relationships from observed data. However, the vast combinatorial space of possible expressions poses significant challenges for both online…

Machine Learning · Computer Science 2025-02-12 Yuan Tian , Wenqi Zhou , Michele Viscione , Hao Dong , David Kammer , Olga Fink

Symbolic Regression (SR) holds great potential for uncovering underlying mathematical and physical relationships from observed data. However, the vast combinatorial space of possible expressions poses significant challenges for both online…

Machine Learning · Computer Science 2025-02-14 Yuan Tian , Wenqi Zhou , Michele Viscione , Hao Dong , David Kammer , Olga Fink

We introduce SymbolFit, a framework that automates parametric modeling by using symbolic regression to perform a machine-search for functions that fit the data while simultaneously providing uncertainty estimates in a single run.…

High Energy Physics - Experiment · Physics 2025-07-04 Ho Fung Tsoi , Dylan Rankin , Cecile Caillol , Miles Cranmer , Sridhara Dasu , Javier Duarte , Philip Harris , Elliot Lipeles , Vladimir Loncar

Numerous phenomenological nuclear models have been proposed to describe specific observables within different regions of the nuclear chart. However, developing a unified model that describes the complex behavior of all nuclei remains an…

Nuclear Theory · Physics 2025-05-14 Jose M. Munoz , Silviu M. Udrescu , Ronald F. Garcia Ruiz

The typical methods for symbolic regression produce rather abrupt changes in solution candidates. In this work, we have tried to transform symbolic regression from an optimization problem, with a landscape that is so rugged that typical…

Machine Learning · Computer Science 2021-08-10 Erik Pitzer , Gabriel Kronberger

Developing mathematical models of dynamic systems is central to many disciplines of engineering and science. Models facilitate simulations, analysis of the system's behavior, decision making and design of automatic control algorithms. Even…

Machine Learning · Computer Science 2020-06-19 Erik Derner , Jiří Kubalík , Nicola Ancona , Robert Babuška

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

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

The discovery of constitutive laws for complex materials has historically faced a dichotomy between high-fidelity data-driven approaches, which demand prohibitive full-field experimental data, and traditional engineering fitting, which…

Computational Engineering, Finance, and Science · Computer Science 2026-03-23 Yue Wu , Tianhao Su , Mingchuan Zhao , Shunbo Hu , Deng Pan

A data-driven computational method is introduced to extract chemical reaction mechanisms from time series chemical concentration data. It is realized through the use of dynamic symbolic regression in which a sparse analytical form for a…

Chemical Physics · Physics 2026-02-13 Manuel Palma Banos , Joel D. Kress , Rigoberto Hernandez , Galen T. Craven

We propose CoNSAL (Combining Neural networks and Symbolic regression for Analytical Lyapunov function) to construct analytical Lyapunov functions for nonlinear dynamic systems. This framework contains a neural Lyapunov function and a…

Systems and Control · Electrical Eng. & Systems 2024-07-16 Jie Feng , Haohan Zou , Yuanyuan Shi

We present a novel method for symbolic regression (SR), the task of searching for compact programmatic hypotheses that best explain a dataset. The problem is commonly solved using genetic algorithms; we show that we can enhance such methods…

Machine Learning · Computer Science 2024-12-11 Arya Grayeli , Atharva Sehgal , Omar Costilla-Reyes , Miles Cranmer , Swarat Chaudhuri

Recent advances in machine learning have demonstrated an enormous utility of deep learning approaches, particularly Graph Neural Networks (GNNs) for materials science. These methods have emerged as powerful tools for high-throughput…

Computational Physics · Physics 2025-05-23 Junchi Liu , Ying Tang , Sergei Tretiak , Wenhui Duan , Liujiang Zhou

Symbolic regression (SR) searches for analytical expressions representing the relationship between a set of explanatory and response variables. Current SR methods assume a single dataset extracted from a single experiment. Nevertheless,…

Symbolic regression is a powerful tool for discovering governing equations directly from data, but its sensitivity to noise hinders its broader application. This paper introduces a Sequential Monte Carlo (SMC) framework for Bayesian…

Machine Learning · Computer Science 2025-12-12 Geoffrey F. Bomarito , Patrick E. Leser

Symbolic Regression (SR) searches for mathematical expressions which best describe numerical datasets. This allows to circumvent interpretation issues inherent to artificial neural networks, but SR algorithms are often computationally…

Machine Learning · Computer Science 2025-01-06 Florian Lalande , Yoshitomo Matsubara , Naoya Chiba , Tatsunori Taniai , Ryo Igarashi , Yoshitaka Ushiku

The advent of Scientific Machine Learning has heralded a transformative era in scientific discovery, driving progress across diverse domains. Central to this progress is uncovering scientific laws from experimental data through symbolic…

Methodology · Statistics 2025-09-25 Somjit Roy , Pritam Dey , Debdeep Pati , Bani K. Mallick

Interpretable regression models are important for many application domains, as they allow experts to understand relations between variables from sparse data. Symbolic regression addresses this issue by searching the space of all possible…

Artificial Intelligence · Computer Science 2022-06-14 Marcus Märtens , Dario Izzo

Symbolic Regression (SR) is a powerful technique for discovering interpretable mathematical expressions. However, benchmarking SR methods remains challenging due to the diversity of algorithms, datasets, and evaluation criteria. In this…

Symbolic regression (SR) aims to find symbolic expressions that describe datasets. Due to its inherent interpretability, is a powerful paradigm for scientific discovery. Recent advances have expanded SR to describe related phenomena using a…

Machine Learning · Computer Science 2026-03-31 Viktor Martinek , Roland Herzog