Artificial Intelligence in Material Engineering: A review on applications of AI in Material Engineering
Not on the map. Why?
Abstract (arXiv)
The role of artificial intelligence (AI) in material science and engineering (MSE) is becoming increasingly important as AI technology advances. The development of high-performance computing has made it possible to test deep learning (DL) models with significant parameters, providing an opportunity to overcome the limitation of traditional computational methods, such as density functional theory (DFT), in property prediction. Machine learning (ML)-based methods are faster and more accurate than DFT-based methods. Furthermore, the generative adversarial networks (GANs) have facilitated the generation of chemical compositions of inorganic materials without using crystal structure information. These developments have significantly impacted material engineering (ME) and research. Some of the latest developments in AI in ME herein are reviewed. First, the development of AI in the critical areas of ME, such as in material processing, the study of structure and material property, and measuring the performance of materials in various aspects, is discussed. Then, the significant methods of AI and their uses in MSE, such as graph neural network, generative models, transfer of learning, etc. are discussed. The use of AI to analyze the results from existing analytical instruments is also discussed. Finally, AI's advantages, disadvantages, and future in ME are discussed.
Key facts. Cited by 1 paper in the map (data through 7 Oct 2026). Builds on 45 of its 128 references that are in the map. First posted on arXiv 15 Sep 2022.
Builds on
45 of 128 references.
References · 45
- 2017Neural Message Passing for Quantum Chemistrycited by 3,460
- 2014Conditional Generative Adversarial Netscited by 2,152
- 2017MoleculeNet: A Benchmark for Molecular Machine Learningcited by 1,037
- 2019Analyzing Learned Molecular Representations for Property Predictioncited by 373
- 2020Fast and Uncertainty-Aware Directional Message Passing for Non-Equilibrium Moleculescited by 254
- 2020The Open Catalyst 2020 (OC20) Dataset and Community Challengescited by 246
- 2017Learning to Plan Chemical Synthesescited by 175
- 2020OrbNet: Deep Learning for Quantum Chemistry Using Symmetry-Adapted Atomic-Orbital Featurescited by 63
- 2019Predicting materials properties without crystal structure: Deep representation learning from stoichiometrycited by 60
- 2020An invertible crystallographic representation for general inverse design of inorganic crystals with targeted propertiescited by 53
- 2020Deep neural networks for the evaluation and design of photonic devicescited by 49
- 2019Generative adversarial networks (GAN) based efficient sampling of chemical space for inverse design of inorganic materialscited by 46
33 more
- 2020Molecular Mechanics-Driven Graph Neural Network with Multiplex Graph for Molecular Structurescited by 44
- 2017Hierarchical modeling of molecular energies using a deep neural networkcited by 37
- 2018Active Learning of Uniformly Accurate Inter-atomic Potentials for Materials Simulationcited by 37
- 2021Learning to design drug-like molecules in three-dimensional space using deep generative modelscited by 37
- 2019Data-Driven Approach to Encoding and Decoding 3-D Crystal Structurescited by 34
- 2017Machine learning modeling of superconducting critical temperaturecited by 32
- 2018CrystalGAN: Learning to Discover Crystallographic Structures with Generative Adversarial Networkscited by 31
- 2020Orbital Graph Convolutional Neural Network for Material Property Predictioncited by 29
- 2021Scalable deeper graph neural networks for high-performance materials property predictioncited by 26
- 2018Neural Message Passing with Edge Updates for Predicting Properties of Molecules and Materialscited by 21
- 2018MT-CGCNN: Integrating Crystal Graph Convolutional Neural Network with Multitask Learning for Material Property Predictioncited by 17
- 2020Machine Learning Pipeline for Segmentation and Defect Identification from High Resolution Transmission Electron Microscopy Datacited by 14
- 2018Machine Learning Enabled Computational Screening of Inorganic Solid Electrolytes for Dendrite Suppression with Li Metal Anodecited by 10
- 2021Uncertainty Prediction for Machine Learning Models of Material Propertiescited by 10
- 2018CheMixNet: Mixed DNN Architectures for Predicting Chemical Properties using Multiple Molecular Representationscited by 8
- 2019IRNet: A General Purpose Deep Residual Regression Framework for Materials Discoverycited by 8
- 2018Hierarchical Visualization of Materials Space with Graph Convolutional Neural Networkscited by 7
- 2021Materials Representation and Transfer Learning for Multi-Property Predictioncited by 7
- 2019Machine-learned metrics for predicting the likelihood of success in materials discoverycited by 6
- 2022Prediction of the electron density of states for crystalline compounds with Atomistic Line Graph Neural Networks (ALIGNN)cited by 6
- 2022Multi-task graph neural networks for simultaneous prediction of global and atomic properties in ferromagnetic systemscited by 6
- 2018Band gap prediction for large organic crystal structures with machine learningcited by 5
- 2019Study of Deep Generative Models for Inorganic Chemical Compositionscited by 5
- 2020Semi-supervised Learning with a Teacher-student Network for Generalized Attribute Predictioncited by 5
- 2019Accelerated Discovery of Sustainable Building Materialscited by 3
- 2020A General Class of Transfer Learning Regression without Implementation Costcited by 3
- 2021Interpretable discovery of new semiconductors with machine learningcited by 3
- 2018End-to-End Refinement Guided by Pre-trained Prototypical Classifiercited by 1
- 2018Predicting thermoelectric properties from crystal graphs and material descriptors - first application for functional materialscited by 1
- 2019Impressive computational acceleration by using machine learning for 2-dimensional super-lubricant materials discoverycited by 1
- 2021Predicting Lattice Phonon Vibrational Frequencies Using Deep Graph Neural Networkscited by 1
- 2021Prediction of Large Magnetic Moment Materials With Graph Neural Networks and Random Forestscited by 1
- 2021Semi-supervised teacher-student deep neural network for materials discoverycited by 1
Built on by
Citing papers per year: 2025: 1.
1 paper.