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Related papers: Physically Interpretable Interatomic Potentials vi…

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Particle-based modeling of materials at atomic scale plays an important role in the development of new materials and understanding of their properties. The accuracy of particle simulations is determined by interatomic potentials, which…

The length and time scales of atomistic simulations are limited by the computational cost of the methods used to predict material properties. In recent years there has been great progress in the use of machine learning algorithms to develop…

Computational Physics · Physics 2022-11-03 Alberto Hernandez , Adarsh Balasubramanian , Fenglin Yuan , Simon Mason , Tim Mueller

In recent years there has been great progress in the use of machine learning algorithms to develop interatomic potential models. Machine-learned potential models are typically orders of magnitude faster than density functional theory but…

Materials Science · Physics 2023-03-28 Alberto Hernandez , Tim Mueller

Understanding and predicting the activity of oxide perovskite catalysts for the oxygen evolution reaction (OER) requires descriptors that are both accurate and physically interpretable. While symbolic regression (SR) offers a path to…

Data Analysis, Statistics and Probability · Physics 2025-07-17 Yeming Xian , Xiaoming Wang , Yanfa Yan

Accurately modeling the friction torque in robotic joints has long been challenging due to the request for a robust mathematical description. Traditional model-based approaches are often labor-intensive, requiring extensive experiments and…

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…

Machine Learning · Computer Science 2026-04-10 Deaglan J. Bartlett , Harry Desmond , Pedro G. Ferreira , Gabriel Kronberger

Symbolic Regression (SR) offers an interpretable alternative to conventional Machine-Learning (ML) approaches, which are often criticized as ``black boxes''. In contrast to standard regression models that require a prescribed functional…

Artificial Intelligence · Computer Science 2026-05-05 Theofanis Aravanis , Grigorios Chrimatopoulos , Mohammad Ferdows , Michalis Xenos , Efstratios Em Tzirtzilakis

Numerous phenomenological nuclear models have been proposed to describe specific observables within different regions of the nuclear chart. However, developing a unified model that describes the complex behavior of all nuclei remains an…

Nuclear Theory · Physics 2025-05-14 Jose M. Munoz , Silviu M. Udrescu , Ronald F. Garcia Ruiz

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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 2025-02-14 Yuan Tian , Wenqi Zhou , Michele Viscione , Hao Dong , David Kammer , Olga Fink

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.…

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 demonstrate the efficacy of symbolic regression (SR) to probe models of particle physics Beyond the Standard Model (BSM), by considering the so-called Constrained Minimal Supersymmetric Standard Model (CMSSM). Like many incarnations of…

High Energy Physics - Phenomenology · Physics 2025-10-24 Shehu AbdusSalam , Steven Abel , Deaglan Bartlett , Miguel Crispim Romão

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…

Computational Physics · Physics 2026-02-10 Udaykumar Gajera , Mohsen Sotoudeh , Kanchan Sarkar , Axel Groß

Machine learning (ML) based interatomic potentials are emerging tools for materials simulations but require a trade-off between accuracy and speed. Here we show how one can use one ML potential model to train another: we use an existing,…

Materials Science · Physics 2022-09-20 Joe D. Morrow , Volker L. Deringer

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…

Understanding the complex interactions within the microbiome is crucial for developing effective diagnostic and therapeutic strategies. Traditional machine learning models often lack interpretability, which is essential for clinical and…

Machine Learning · Computer Science 2024-10-22 Swagatam Haldar , Christoph Stein-Thoeringer , Vadim Borisov

In real-world applications with large state and action spaces, reinforcement learning (RL) typically employs function approximations to represent core components like the policies, value functions, and dynamics models. Although powerful…

Machine Learning · Computer Science 2026-01-29 Chenxiao Gao , Haotian Sun , Na Li , Dale Schuurmans , Bo Dai

Symbolic regression (SR) is the problem of learning a symbolic expression from numerical data. Recently, deep neural models trained on procedurally-generated synthetic datasets showed competitive performance compared to more classical…

Machine Learning · Computer Science 2023-05-11 Pierre-Alexandre Kamienny , Guillaume Lample , Sylvain Lamprier , Marco Virgolin

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…

Neural and Evolutionary Computing · Computer Science 2025-12-02 Guilherme Seidyo Imai Aldeia
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