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Automating scientific discovery has been a grand goal of Artificial Intelligence (AI) and will bring tremendous societal impact. Learning symbolic expressions from experimental data is a vital step in AI-driven scientific discovery. Despite…

Artificial Intelligence · Computer Science 2023-12-20 Nan Jiang , Md Nasim , Yexiang Xue

Symbolic regression (SR) has emerged as a pivotal technique for uncovering the intrinsic information within data and enhancing the interpretability of AI models. However, current state-of-the-art (sota) SR methods struggle to perform…

Machine Learning · Computer Science 2025-01-03 Chenglu Sun , Shuo Shen , Wenzhi Tao , Deyi Xue , Zixia Zhou

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

Symbolic regression aims to discover interpretable equations from data, yet modern gradient-based methods fail for operators that introduce singularities or domain constraints, including division, logarithms, and square roots. As a result,…

Machine Learning · Computer Science 2026-05-06 Sergei Garmaev , Maurice Gauché , Olga Fink

This paper revisits datasets and evaluation criteria for Symbolic Regression (SR), specifically focused on its potential for scientific discovery. Focused on a set of formulas used in the existing datasets based on Feynman Lectures on…

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

In science, we are interested not only in forecasting but also in understanding how predictions are made, specifically what the interpretable underlying model looks like. Data-driven machine learning technology can significantly streamline…

Symbolic Computation · Computer Science 2025-05-29 Weiting Liu , Jiaxu Cui , Jiao Hu , En Wang , Bo Yang

We describe and analyze algorithms for shape-constrained symbolic regression, which allows the inclusion of prior knowledge about the shape of the regression function. This is relevant in many areas of engineering -- in particular whenever…

Neural and Evolutionary Computing · Computer Science 2021-07-21 Christian Haider , Fabricio Olivetti de França , Bogdan Burlacu , Gabriel Kronberger

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

Stochastic variance-reduced gradient (SVRG) is a classical optimization method. Although it is theoretically proved to have better convergence performance than stochastic gradient descent (SGD), the generalization performance of SVRG…

Machine Learning · Statistics 2019-08-20 Hao Jin , Dachao Lin , Zhihua Zhang

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…

We develop a general approach to distill symbolic representations of a learned deep model by introducing strong inductive biases. We focus on Graph Neural Networks (GNNs). The technique works as follows: we first encourage sparse latent…

Machine Learning · Computer Science 2020-11-19 Miles Cranmer , Alvaro Sanchez-Gonzalez , Peter Battaglia , Rui Xu , Kyle Cranmer , David Spergel , Shirley Ho

While it is commonly observed in practice that pruning networks to a certain level of sparsity can improve the quality of the features, a theoretical explanation of this phenomenon remains elusive. In this work, we investigate this by…

Machine Learning · Statistics 2024-06-14 Nuri Mert Vural , Murat A. Erdogdu

Despite numerous successes in Deep Reinforcement Learning (DRL), the learned policies are not interpretable. Moreover, since DRL does not exploit symbolic relational representations, it has difficulties in coping with structural changes in…

Artificial Intelligence · Computer Science 2023-07-17 Rishi Hazra , Luc De Raedt

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

We introduce a novel symbolic regression framework, namely KAN-SR, built on Kolmogorov Arnold Networks (KANs) which follows a divide-and-conquer approach. Symbolic regression searches for mathematical equations that best fit a given dataset…

Machine Learning · Computer Science 2025-09-15 Marco Andrea Bühler , Gonzalo Guillén-Gosálbez

Deep convolutional neural networks (CNNs) have recently achieved great success for single image super-resolution (SISR) task due to their powerful feature representation capabilities. The most recent deep learning based SISR methods focus…

Image and Video Processing · Electrical Eng. & Systems 2020-09-11 Rao Muhammad Umer , Gian Luca Foresti , Christian Micheloni

Recently, several algorithms for symbolic regression (SR) emerged which employ a form of multiple linear regression (LR) to produce generalized linear models. The use of LR allows the algorithms to create models with relatively small error…

Machine Learning · Computer Science 2017-03-13 Jan Žegklitz , Petr Pošík

The development of next-generation molecular simulation models requires moving beyond pre-defined functional forms toward machine learning (ML) techniques that directly capture multiscale physics. Here, we demonstrate such an approach using…

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

Deep artificial neural networks (DNNs) are typically trained via gradient-based learning algorithms, namely backpropagation. Evolution strategies (ES) can rival backprop-based algorithms such as Q-learning and policy gradients on…

Neural and Evolutionary Computing · Computer Science 2018-04-24 Felipe Petroski Such , Vashisht Madhavan , Edoardo Conti , Joel Lehman , Kenneth O. Stanley , Jeff Clune