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Machine learning as a catalyst in advanced materials research and development

Research output: Chapter in Book/Report/Conference proceedingChapter

Abstract

Machine learning is changing how materials are designed, tested, and improved. It does this by learning from data to guess properties, suggest new recipes, and pick better experiments. There are three main types of machine learning: supervised learning, which learns from labelled examples; unsupervised learning, which finds hidden groups in unlabeled data; and reinforcement learning, which learns by trying steps and getting feedback. Machine learning works on data from lab experiments, computer simulations, and past papers, but this data needs to be cleaned, features picked, and dimensions reduced, or models can get confused. With good data, ML can predict things like bandgap, hardness, stability, or lifetime. It can also do inverse design, which means starting from a target and working backward to a material or recipe, and optimize processes to get better results with fewer trials across polymers, alloys, nanomaterials, and composites. Some new directions are autonomous labs that loop measure-learn-decide, AI-guided design that ties simulations and experiments together more closely, and work that tries to make materials greener and less wasteful. There are still issues, such as a lack of high-quality data, labels that are noisy, and models that don't work with new chemistries or conditions. Because of this, it's important to combine physical rules and domain knowledge with machine learning and to use explainable methods so that decisions make sense. It's also important to keep an eye on ethical issues like bias, safety, and reproducibility. Overall, this review tries to give a clear and simple look at where machine learning helps and where it struggles in advanced materials and sustainability. It also tries to share ideas that will help future studies and encourage teams from different fields to work together to build and test new ideas.
Original languageEnglish
Title of host publicationEngineering solutions for modern challenges in advanced materials science
EditorsDeepanraj Balakrishnan, Ratnasunil Buradagunta, Wattala Fernando
Place of PublicationHershey, PA
PublisherIGI Global Scientific Publishing
Chapter3
Pages77-110
Number of pages34
ISBN (Electronic)9798337335582
ISBN (Print)9798337335568, 9798337335575
DOIs
Publication statusPublished - 20 Feb 2026

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