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相关论文: 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…

计算物理 · 物理学 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…

材料科学 · 物理学 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…

数据分析、统计与概率 · 物理学 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…

机器学习 · 计算机科学 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…

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…

核理论 · 物理学 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…

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

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.…

机器学习 · 计算机科学 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…

高能物理 - 唯象学 · 物理学 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…

计算物理 · 物理学 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,…

材料科学 · 物理学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

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