The integration of Machine Learning (ML) in material science, particularly in cement-based materials, is revolutionizing the field. This approach addresses challenges like high non-linearity and significant time-lags in data, which are prevalent in the complex interplay of composition, process, structure, and performance in these materials. ML’s effectiveness in this context is not just in predictive accuracy, but also in its potential to significantly advance research and development.ML operates at the intersection of computer science and statistics, functioning as a ‘black-box’ that links data without requiring an understanding of the underlying mechanisms. This enables a comprehensive cycle from data collection to performance prediction and experimental validation. By transitioning from a traditional ‘experience plus trial-and-error’ method to a data-driven approach, ML facilitates a deeper understanding of the cause-effect relationships aiming at material properties. This is particularly transformative in cement-based materials research, where ML’s ability to predict various properties opens up new possibilities for enhancing the efficiency of their development and application.This comprehensive article delves into the intricate characteristics and varied application processes of ML in the realm of material science, with a specific focus on cement-based materials. It provides a thorough review of the recent progress, showcasing how ML techniques have become instrumental in predicting key aspects such as microstructure, components, mechanical properties, and durability of these materials. The article not only illustrates the predictive power of ML, but also sheds light on its role in enhancing the understanding of complex material behaviors and properties. Additionally, the article examines the unique characteristics and structural intricacies of various ML models used in this context. It meticulously discusses and compares different model algorithms, dissecting their methodologies and computational approaches. By doing so, it offers a clear picture of the strengths and limitations of each algorithm, providing valuable insights into their practical applicability in predicting and understanding the behavior of cement-based materials. Moreover, the article reviews the evaluation metrics used to assess the performance of these ML models, emphasizing the importance of accuracy, reliability, and efficiency in material science research. This evaluation not only highlights the current state of ML applications in this field, but also suggests areas for future improvements and developments.Despite the notable advancements in using ML for predicting the structure and performance of cement-based materials, significant challenges remain. Firstly, there is an issue of data quality and quantity imbalance due to the multi-temporal relationship between the cement process and the development of its properties, which necessitates the creation of a comprehensive database including diverse factors such as material components, structures, performance metrics, environmental influences, and chemical reaction parameters. Secondly, the highly complex and nonlinear nature of most predictive models for cement-based materials leads to insufficient model interpretability, that is, understanding of these models' decision-making processes is quite complicated. Enhancing interpretability is essential for a deeper comprehension of material performance under various conditions, which can be achieved through advanced post-processing tools and integrating ML with precise physical models. Lastly, the limited generalizability of ML models, due to the inherent complexity of cement-based materials, poses a challenge. Training data may not cover all categories, leading to diminished performance upon treating new data sets. To address this problem, it requires exploring meta-learning methods that can quickly adapt to new material combinations and combining these methods with other advanced ML techniques to improve the predictive power and adaptability of models.The evolution of Artificial Intelligence and increased computational power, as exemplified by advanced generative AI models like ChatGPT, offer boundless potential in enhancing the efficiency of material research and development. Their multi-dimensional data processing capability allows for comprehensive consideration of various factors affecting target performance, predicting cement properties under different conditions. As these models evolve in self-learning and optimization, integrating molecular dynamics simulations of cement-based materials, three-dimensional simulations of hardened paste structures, and reaction kinetics and thermodynamics data becomes feasible. This integration could lead to precise predictions of composition, structure, and performance, and even the reverse engineering of cement-based materials, significantly accelerating the development of new cement-based materials.
Summary and prospects
The integration with ML is a major advancement in the field of cement-based materials. ML is able to process and to learn from huge datasets to predict a range of material properties. This approach not only solves the complex problem of nonlinear regression of materials, but also marks a new era in materials research. However, to realize the full potential of machine learning in this area, challenges such as imbalances in data quality and quantity, insufficient model interpretability and limited model commonality need to be addressed. The research prospect of cement-based materials by integrating with artificial intelligence is promising. And, with the continuous improvement of AI capability and computational power, we can foresee that more complex models combined with more advanced algorithms will be able to predict and design cement-based materials more accurately. This progress will likely lead to the development of new materials with enhanced properties, contributing significantly to the field of construction and material science. This research area remains a hotspot, promisingly exciting developments and breakthroughs in the near future.