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Symbolic regression (SR) seeks to recover closed-form mathematical expressions that describe observed data. While existing methods have advanced the discovery of either explicit mappings (i.e., $y = f(\mathbf{x})$) or discovering implicit…

Machine Learning · Computer Science 2025-08-20 Michael Scherk , Boyuan Chen

Automated scientific discovery aims to improve scientific understanding through machine learning. A central approach in this field is symbolic regression, which uses genetic programming or sparse regression to learn interpretable…

Neural and Evolutionary Computing · Computer Science 2026-03-11 Sigur de Vries , Sander W. Keemink , Marcel A. J. van Gerven

Deep Symbolic Optimization (DSO) is a novel computational framework that enables symbolic optimization for scientific discovery, particularly in applications involving the search for intricate symbolic structures. One notable example is…

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

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

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

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 (SR) is a challenging task in machine learning that involves finding a mathematical expression for a function based on its values. Recent advancements in SR have demonstrated the effectiveness of pre-trained…

Machine Learning · Computer Science 2023-10-31 Parshin Shojaee , Kazem Meidani , Amir Barati Farimani , Chandan K. Reddy

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

The efficiency of active learning (AL) approaches to identify materials with desired properties relies on the knowledge of a few parameters describing the property. However, these parameters are unknown if the property is governed by a high…

Materials Science · Physics 2024-12-10 Akhil S. Nair , Lucas Foppa , Matthias Scheffler

Interpretable AI can reveal physical principles governing intricate materials properties by uncovering explicit relationships between physical parameters and target properties. The sure-independence screening and sparsifying operator…

Materials Science · Physics 2026-04-10 Lucas Foppa , Matthias Scheffler

The Symbolic Regression (SR) problem, where the goal is to find a regression function that does not have a pre-specified form but is any function that can be composed of a list of operators, is a hard problem in machine learning, both…

Machine Learning · Computer Science 2020-06-15 Vernon Austel , Cristina Cornelio , Sanjeeb Dash , Joao Goncalves , Lior Horesh , Tyler Josephson , Nimrod Megiddo

Symbolic regression identifies key physical parameters describing materials properties by uncovering correlations as nonlinear analytical expressions. However, the pool of expressions grows rapidly with complexity, compromising its…

Learning efficient and interpretable policies has been a challenging task in reinforcement learning (RL), particularly in the visual RL setting with complex scenes. While neural networks have achieved competitive performance, the resulting…

Machine Learning · Computer Science 2023-01-02 Wenqing Zheng , S P Sharan , Zhiwen Fan , Kevin Wang , Yihan Xi , Zhangyang Wang

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

This paper presents QDSR, an advanced symbolic Regression (SR) system that integrates genetic programming (GP), a quality-diversity (QD) algorithm, and a dimensional analysis (DA) engine. Our method focuses on exact symbolic recovery of…

Neural and Evolutionary Computing · Computer Science 2025-03-26 J. -P. Bruneton

Physics-informed Neural Networks (PINNs) have been widely used to obtain accurate neural surrogates for a system of Partial Differential Equations (PDE). One of the major limitations of PINNs is that the neural solutions are challenging to…

Machine Learning · Computer Science 2023-03-14 Ritam Majumdar , Vishal Jadhav , Anirudh Deodhar , Shirish Karande , Lovekesh Vig , Venkataramana Runkana

The problem of symbolic regression (SR) arises in many different applications, such as identifying physical laws or deriving mathematical equations describing the behavior of financial markets from given data. Various methods exist to…

Artificial Intelligence · Computer Science 2025-05-07 Philipp Scholl , Katharina Bieker , Hillary Hauger , Gitta Kutyniok

In a regression task, a function is learned from labeled data to predict the labels at new data points. The goal is to achieve small prediction errors. In symbolic regression, the goal is more ambitious, namely, to learn an interpretable…

Machine Learning · Computer Science 2025-06-25 Paul Kahlmeyer , Joachim Giesen , Michael Habeck , Henrik Voigt

Sparse-reward reinforcement learning (RL) can model a wide range of highly complex tasks. Solving sparse-reward tasks is RL's core premise, requiring efficient exploration coupled with long-horizon credit assignment, and overcoming these…

Machine Learning · Computer Science 2025-10-21 Leander Diaz-Bone , Marco Bagatella , Jonas Hübotter , Andreas Krause