HTSC-2025: A Benchmark Dataset of Ambient-Pressure High-Temperature Superconductors for AI-Driven Critical Temperature Prediction

Fuente: arXiv
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Main Authors: Han, Xiao-Qi, Gao, Ze-Feng, Wang, Xin-De, Ouyang, Zhenfeng, Guo, Peng-Jie, Lu, Zhong-Yi
Format: Preprint
Published: 2025
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author Han, Xiao-Qi
Gao, Ze-Feng
Wang, Xin-De
Ouyang, Zhenfeng
Guo, Peng-Jie
Lu, Zhong-Yi
author_facet Han, Xiao-Qi
Gao, Ze-Feng
Wang, Xin-De
Ouyang, Zhenfeng
Guo, Peng-Jie
Lu, Zhong-Yi
contents The discovery of high-temperature superconducting materials holds great significance for human industry and daily life. In recent years, research on predicting superconducting transition temperatures using artificial intelligence~(AI) has gained popularity, with most of these tools claiming to achieve remarkable accuracy. However, the lack of widely accepted benchmark datasets in this field has severely hindered fair comparisons between different AI algorithms and impeded further advancement of these methods. In this work, we present the HTSC-2025, an ambient-pressure high-temperature superconducting benchmark dataset. This comprehensive compilation encompasses theoretically predicted superconducting materials discovered by theoretical physicists from 2023 to 2025 based on BCS superconductivity theory, including the renowned X$_2$YH$_6$ system, perovskite MXH$_3$ system, M$_3$XH$_8$ system, cage-like BCN-doped metal atomic systems derived from LaH$_{10}$ structural evolution, and two-dimensional honeycomb-structured systems evolving from MgB$_2$. The HTSC-2025 benchmark has been open-sourced at https://github.com/xqh19970407/HTSC-2025 and will be continuously updated. This benchmark holds significant importance for accelerating the discovery of superconducting materials using AI-based methods.
format Preprint
id arxiv_https___arxiv_org_abs_2506_03837
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle HTSC-2025: A Benchmark Dataset of Ambient-Pressure High-Temperature Superconductors for AI-Driven Critical Temperature Prediction
Han, Xiao-Qi
Gao, Ze-Feng
Wang, Xin-De
Ouyang, Zhenfeng
Guo, Peng-Jie
Lu, Zhong-Yi
Superconductivity
Materials Science
Artificial Intelligence
Machine Learning
The discovery of high-temperature superconducting materials holds great significance for human industry and daily life. In recent years, research on predicting superconducting transition temperatures using artificial intelligence~(AI) has gained popularity, with most of these tools claiming to achieve remarkable accuracy. However, the lack of widely accepted benchmark datasets in this field has severely hindered fair comparisons between different AI algorithms and impeded further advancement of these methods. In this work, we present the HTSC-2025, an ambient-pressure high-temperature superconducting benchmark dataset. This comprehensive compilation encompasses theoretically predicted superconducting materials discovered by theoretical physicists from 2023 to 2025 based on BCS superconductivity theory, including the renowned X$_2$YH$_6$ system, perovskite MXH$_3$ system, M$_3$XH$_8$ system, cage-like BCN-doped metal atomic systems derived from LaH$_{10}$ structural evolution, and two-dimensional honeycomb-structured systems evolving from MgB$_2$. The HTSC-2025 benchmark has been open-sourced at https://github.com/xqh19970407/HTSC-2025 and will be continuously updated. This benchmark holds significant importance for accelerating the discovery of superconducting materials using AI-based methods.
title HTSC-2025: A Benchmark Dataset of Ambient-Pressure High-Temperature Superconductors for AI-Driven Critical Temperature Prediction
topic Superconductivity
Materials Science
Artificial Intelligence
Machine Learning
url https://arxiv.org/abs/2506.03837