arXiv:2508.11685eess.SPcond-mat.mtrl-sci2025-08被引 2

用AI预测铝合金耐腐蚀性,加速材料研发。

Enhancing Corrosion Resistance of Aluminum Alloys Through AI and ML Modeling

  • 分正向与逆向两种建模思路,输入成分和环境预测腐蚀率或反推优组合。
  • 高斯过程回归(GPR)表现最佳,对数变换后精度进一步提升。
  • 适合材料科学、腐蚀防护领域研究人员快速筛选候选材料。

腐蚀严重影响铝合金在海洋环境中的性能。本研究利用机器学习(ML)算法预测并优化耐腐蚀性,基于从多个来源整合的开源数据集,涵盖腐蚀速率及环境条件数据,并统一了单位和格式。采用两种方法:一是直接法,以材料成分和环境条件为输入,预测腐蚀速率;二是逆向法,以腐蚀速率为输入,输出合适材料成分。比较了三种前向预测方法:随机森林回归(经网格搜索优化)、使用ReLU激活和Adam优化的前馈神经网络,以及基于GPyTorch实现的高斯过程回归(GPR),采用多种核函数。随机森林和神经网络模型可基于元素组成和环境条件进行预测。值得注意的是,高斯过程回归表现出更优性能,尤其是混合核函数下;对数变换后的GPR进一步提升了预测精度。研究证实,尤其是GPR,在预测腐蚀速率和材料性能方面具有显著有效性。

原文摘要 · Abstract (English)

Corrosion poses a significant challenge to the performance of aluminum alloys, particularly in marine environments. This study investigates the application of machine learning (ML) algorithms to predict and optimize corrosion resistance, utilizing a comprehensive open-source dataset compiled from various sources. The dataset encompasses corrosion rate data and environmental conditions, preprocessed to standardize units and formats. We explored two different approaches, a direct approach, where the material's composition and environmental conditions were used as inputs to predict corrosion rates; and an inverse approach, where corrosion rate served as the input to identify suitable material compositions as output. We employed and compared three distinct ML methodologies for forward predictions: Random Forest regression, optimized via grid search; a feed-forward neural network, utilizing ReLU activation and Adam optimization; and Gaussian Process Regression (GPR), implemented with GPyTorch and employing various kernel functions. The Random Forest and neural network models provided predictive capabilities based on elemental compositions and environmental conditions. Notably, Gaussian Process Regression demonstrated superior performance, particularly with hybrid kernel functions. Log-transformed GPR further refined predictions. This study highlights the efficacy of ML, particularly GPR, in predicting corrosion rates and material properties.

材料科学机器学习腐蚀预测高斯过程

Thank you to arXiv for use of its open access interoperability. PaperDance 不是 arXiv 官方产品;中文卡片由大模型生成,请以原文为准。