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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

Symbolic regression is a fundamental tool for discovering interpretable mathematical expressions from data, with broad applications across scientific and engineering domains. Recently, large language models (LLMs) have demonstrated strong…

Machine Learning · Computer Science 2025-06-06 Runxiang Wang , Boxiao Wang , Kai Li , Yifan Zhang , Jian Cheng

Mathematical equations have been unreasonably effective in describing complex natural phenomena across various scientific disciplines. However, discovering such insightful equations from data presents significant challenges due to the…

Machine Learning · Computer Science 2025-03-21 Parshin Shojaee , Kazem Meidani , Shashank Gupta , Amir Barati Farimani , Chandan K Reddy

Symbolic regression (SR), the automated discovery of mathematical expressions from data, is a cornerstone of scientific inquiry. However, it is often hindered by the combinatorial explosion of the search space and a tendency to overfit.…

Symbolic regression (SR) has emerged as a powerful tool for automated scientific discovery, enabling the derivation of governing equations from experimental data. A growing body of work illustrates the promise of integrating domain…

Machine Learning · Computer Science 2025-09-04 Bilge Taskin , Wenxiong Xie , Teddy Lazebnik

Symbolic Regression aims to automatically identify compact and interpretable mathematical expressions that model the functional relationship between input and output variables. Most existing search-based symbolic regression methods…

Machine Learning · Computer Science 2026-01-22 Jianwen Sun , Xinrui Li , Fuqing Li , Xiaoxuan Shen

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

Symbolic regression seeks to uncover physical laws from experimental data by searching for closed-form expressions, which is an important task in AI-driven scientific discovery. Yet the exponential growth of the search space of expression…

Symbolic Computation · Computer Science 2026-02-13 Nan Jiang , Ziyi Wang , Yexiang Xue

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), the task of discovering mathematical expressions that best describe a given dataset, remains a fundamental challenge in scientific discovery. Traditional approaches, primarily based on genetic algorithms and…

Artificial Intelligence · Computer Science 2026-05-06 Hao Liu , Xiao-Wen Yang , Atharva Sehgal , Yixin Wang , Lan-Zhe Guo , Yu-Feng Li , Yisong Yue

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

Discovering valid and meaningful mathematical equations from observed data plays a crucial role in scientific discovery. While this task, symbolic regression, remains challenging due to the vast search space and the trade-off between…

Machine Learning · Computer Science 2025-09-17 Xiaoxu Han , Chengzhen Ning , Jinghui Zhong , Fubiao Yang , Yu Wang , Xin Mu

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

Large Language Models (LLMs) are transformer-based machine learning models that have shown remarkable performance in tasks for which they were not explicitly trained. Here, we explore the potential of LLMs to perform symbolic regression --…

Computation and Language · Computer Science 2026-04-17 Samiha Sharlin , Tyler R. Josephson

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

In recent years, symbolic regression has been of wide interest to provide an interpretable symbolic representation of potentially large data relationships. Initially circled to genetic algorithms, symbolic regression methods now include a…

Machine Learning · Computer Science 2022-02-10 Laure Crochepierre , Lydia Boudjeloud-Assala , Vincent Barbesant

Symbolic equations are at the core of scientific discovery. The task of discovering the underlying equation from a set of input-output pairs is called symbolic regression. Traditionally, symbolic regression methods use hand-designed…

Machine Learning · Computer Science 2021-06-14 Luca Biggio , Tommaso Bendinelli , Alexander Neitz , Aurelien Lucchi , Giambattista Parascandolo

Distilling underlying principles from data has historically driven scientific breakthroughs. However, conventional data-driven machine learning often produces complex models that lack interpretability and generalization due to insufficient…

Materials Science · Physics 2025-07-28 Zhilong Song , Qionghua Zhou , Chunjin Ren , Chongyi Ling , Minggang Ju , Jinlan Wang

Automated methods for discovering mechanistic simulator models from observational data offer a promising path toward accelerating scientific progress. Such methods often take the form of agentic-style iterative workflows that repeatedly…

Machine Learning · Computer Science 2026-02-23 Stefan Wahl , Raphaela Schenk , Ali Farnoud , Jakob H. Macke , Daniel Gedon

Scientific equation discovery is a fundamental task in the history of scientific progress, enabling the derivation of laws governing natural phenomena. Recently, Large Language Models (LLMs) have gained interest for this task due to their…

Computation and Language · Computer Science 2025-06-10 Parshin Shojaee , Ngoc-Hieu Nguyen , Kazem Meidani , Amir Barati Farimani , Khoa D Doan , Chandan K Reddy
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