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Related papers: Symbolic Regression in Materials Science

200 papers

Symbolic regression is the process of identifying mathematical expressions that fit observed output from a black-box process. It is a discrete optimization problem generally believed to be NP-hard. Prior approaches to solving the problem…

Neural and Evolutionary Computing · Computer Science 2021-11-19 T. Nathan Mundhenk , Mikel Landajuela , Ruben Glatt , Claudio P. Santiago , Daniel M. Faissol , Brenden K. Petersen

Growing interest in modelling complex systems from brains to societies to cities using networks has led to increased efforts to describe generative processes that explain those networks. Recent successes in machine learning have prompted…

Neural and Evolutionary Computing · Computer Science 2024-01-12 Govind Gandhi

Discovering the underlying mathematical expressions describing a dataset is a core challenge for artificial intelligence. This is the problem of $\textit{symbolic regression}$. Despite recent advances in training neural networks to solve…

Machine Learning · Computer Science 2022-07-06 Brenden K. Petersen , Mikel Landajuela , T. Nathan Mundhenk , Claudio P. Santiago , Soo K. Kim , Joanne T. Kim

The accurate modeling of the mechanical behavior of rubber-like materials under multi-axial loading constitutes a long-standing challenge in hyperelastic material modeling. This work employs deep symbolic regression as an interpretable…

Computational Engineering, Finance, and Science · Computer Science 2025-04-09 Rasul Abdusalamov , Mikhail Itskov

In the realm of machine and deep learning regression tasks, the role of effective feature engineering (FE) is pivotal in enhancing model performance. Traditional approaches of FE often rely on domain expertise to manually design features…

Machine Learning · Computer Science 2024-06-18 Assaf Shmuel , Oren Glickman , Teddy Lazebnik

Symbolic regression is a type of discrete optimization problem that involves searching expressions that fit given data points. In many cases, other mathematical constraints about the unknown expression not only provide more information…

Machine Learning · Computer Science 2021-02-16 Li Li , Minjie Fan , Rishabh Singh , Patrick Riley

Symbolic Regression (SR) can generate interpretable, concise expressions that fit a given dataset, allowing for more human understanding of the structure than black-box approaches. The addition of background knowledge (in the form of…

Machine Learning · Computer Science 2023-05-05 Charles Fox , Neil Tran , Nikki Nacion , Samiha Sharlin , Tyler R. Josephson

Discovery of new natural laws has for a long time relied on the inspiration of some genius. Recently, however, machine learning technologies, which analyze big data without human prejudice and bias, are expected to find novel natural laws.…

Data Analysis, Statistics and Probability · Physics 2021-02-19 Yuma Iwasaki , Masahiko Ishida

Despite successful seminal works on passive systems in the literature, learning free-form physical laws for controlled dynamical systems given experimental data is still an open problem. For decades, symbolic mathematical equations and…

Machine Learning · Computer Science 2021-06-01 Carlos Magno C. O. Valle , Sami Haddadin

State of the art Symbolic Regression (SR) methods currently build specialized models, while the application of Large Language Models (LLMs) remains largely unexplored. In this work, we introduce the first comprehensive framework that…

Computation and Language · Computer Science 2024-09-27 Matteo Merler , Katsiaryna Haitsiukevich , Nicola Dainese , Pekka Marttinen

The mathematical formula is the human language to describe nature and is the essence of scientific research. Finding mathematical formulas from observational data is a major demand of scientific research and a major challenge of artificial…

Machine Learning · Computer Science 2024-04-10 Yanjie Li , Weijun Li , Lina Yu , Min Wu , Jingyi Liu , Wenqiang Li , Meilan Hao , Shu Wei , Yusong Deng

In nature, the behaviors of many complex systems can be described by parsimonious math equations. Automatically distilling these equations from limited data is cast as a symbolic regression process which hitherto remains a grand challenge.…

Machine Learning · Computer Science 2023-05-25 Yilong Xu , Yang Liu , Hao Sun

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

We present an improved method for symbolic regression that seeks to fit data to formulas that are Pareto-optimal, in the sense of having the best accuracy for a given complexity. It improves on the previous state-of-the-art by typically…

Machine Learning · Computer Science 2020-12-17 Silviu-Marian Udrescu , Andrew Tan , Jiahai Feng , Orisvaldo Neto , Tailin Wu , Max Tegmark

A very active area of materials research is to devise methods that use machine learning to automatically extract predictive models from existing materials data. While prior examples have demonstrated successful models for some applications,…

Materials Science · Physics 2016-08-29 Logan Ward , Ankit Agrawal , Alok Choudhary , Christopher Wolverton

Regression analysis is a central topic in statistical modeling, aimed at estimating the relationships between a dependent variable, commonly referred to as the response variable, and one or more independent variables, i.e., explanatory…

Machine Learning · Statistics 2025-05-06 Juan M Gorriz , J. Ramirez , F. Segovia , F. J. Martinez-Murcia , C. Jiménez-Mesa , J. Suckling

Symbolic Regression (SR) tries to reveal the hidden equations behind observed data. However, most methods search within a discrete equation space, where the structural modifications of equations rarely align with their numerical behavior,…

Machine Learning · Computer Science 2026-02-25 Qian Li , Yuxiao Hu , Juncheng Liu , Yuntian Chen

Symbolic regression aims to discover human-interpretable equations that explain observational data. However, existing approaches rely heavily on discrete structure search (e.g., genetic programming), which often leads to high computational…

Machine Learning · Computer Science 2026-03-25 Fateme Memar , Tao Zhe , Dongjie Wang

The mechanical properties are essential for structural materials. The analyzed 360 data on four mechanical properties of steels, viz. fatigue strength, tensile strength, fracture strength, and hardness, are selected from the NIMS database,…

Applied Physics · Physics 2021-01-05 Jie Xiong , Tong-Yi Zhang , San-Qiang Shi

The first step in the construction of a regression model or a data-driven analysis, aiming to predict or elucidate the relationship between the atomic scale structure of matter and its properties, involves transforming the Cartesian…