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Symbolic Regression (SR) enables the discovery of interpretable mathematical relationships from experimental and simulation data. These relationships are often coined descriptors which are defined as a fundamental materials property that is…

计算物理 · 物理学 2026-02-10 Udaykumar Gajera , Mohsen Sotoudeh , Kanchan Sarkar , Axel Groß

Accurate and explainable artificial-intelligence (AI) models are promising tools for the acceleration of the discovery of new materials, ore new applications for existing materials. Recently, symbolic regression has become an increasingly…

数据分析、统计与概率 · 物理学 2023-05-03 Thomas A. R. Purcell , Matthias Scheffler , Luca M. Ghiringhelli

Symbolic regression (SR) is an emerging branch of machine learning focused on discovering simple and interpretable mathematical expressions from data. Although a wide-variety of SR methods have been developed, they often face challenges…

机器学习 · 计算机科学 2025-02-06 Madhav R. Muthyala , Farshud Sorourifar , You Peng , Joel A. Paulson

PySR is an open-source library for practical symbolic regression, a type of machine learning which aims to discover human-interpretable symbolic models. PySR was developed to democratize and popularize symbolic regression for the sciences,…

天体物理仪器与方法 · 物理学 2023-05-08 Miles Cranmer

The high-energy physics community is investigating the potential of deploying machine-learning-based solutions on Field-Programmable Gate Arrays (FPGAs) to enhance physics sensitivity while still meeting data processing time constraints. In…

Symbolic-inference methods have recently found a broad application in materials science. In particular, the Sure-Independence Screening and Sparsifying Operator (SISSO) performs symbolic regression and classification by adopting compressed…

材料科学 · 物理学 2024-03-26 Aliaksei Mazheika , Sergey V. Levchenko , Luca M. Ghiringhelli

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…

机器学习 · 计算机科学 2023-10-31 Parshin Shojaee , Kazem Meidani , Amir Barati Farimani , Chandan K. Reddy

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…

材料科学 · 物理学 2026-04-10 Lucas Foppa , Matthias Scheffler

Symbolic regression (SR) uncovers mathematical models from data. Several benchmarks have been proposed to compare the performance of SR algorithms. However, existing ground-truth rediscovery benchmarks overemphasize the recovery of "the…

机器学习 · 计算机科学 2025-08-21 Viktor Martinek

Symbolic regression (SR) has emerged as a powerful method for uncovering interpretable mathematical relationships from data, offering a novel route to both scientific discovery and efficient empirical modelling. This article introduces the…

机器学习 · 计算机科学 2026-04-10 Deaglan J. Bartlett , Harry Desmond , Pedro G. Ferreira , Gabriel Kronberger

Interpretability is crucial for machine learning in many scenarios such as quantitative finance, banking, healthcare, etc. Symbolic regression (SR) is a classic interpretable machine learning method by bridging X and Y using mathematical…

统计方法学 · 统计学 2020-01-17 Ying Jin , Weilin Fu , Jian Kang , Jiadong Guo , Jian Guo

Hardness is a materials' property with implications in several industrial fields, including oil and gas, manufacturing, and others. However, the relationship between this macroscale property and atomic (i.e., microscale) properties is…

The rapid growth in the size of deep learning models strains the capabilities of traditional dense computation paradigms. Leveraging sparse computation has become increasingly popular for training and deploying large-scale models, but…

机器学习 · 计算机科学 2024-06-21 Bobby Yan , Alexander J. Root , Trevor Gale , David Broman , Fredrik Kjolstad

Symbolic Regression (SR) is a regression method that aims to discover mathematical expressions that describe the relationship between variables, and it is often implemented through Genetic Programming, a metaphor for the process of…

神经与进化计算 · 计算机科学 2025-12-02 Guilherme Seidyo Imai Aldeia

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…

材料科学 · 物理学 2024-12-10 Akhil S. Nair , Lucas Foppa , Matthias Scheffler

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…

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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 2025-02-14 Yuan Tian , Wenqi Zhou , Michele Viscione , Hao Dong , David Kammer , Olga Fink

Regression analysis is used for prediction and to understand the effect of independent variables on dependent variables. Symbolic regression (SR) automates the search for non-linear regression models, delivering a set of hypotheses that…

机器学习 · 计算机科学 2025-04-09 Fabricio Olivetti de Franca , Gabriel Kronberger

Symbolic Regression (SR) aims to discover interpretable equations from observational data, with the potential to reveal underlying principles behind natural phenomena. However, existing approaches often fall into the Pseudo-Equation Trap:…

机器学习 · 计算机科学 2026-02-17 Jing Xiao , Xinhai Chen , Jiaming Peng , Qinglin Wang , Menghan Jia , Zhiquan Lai , Guangping Yu , Dongsheng Li , Tiejun Li , Jie Liu
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