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Meeting MS&T25: Materials Science & Technology
Symposium Materials Processing and Fundamental Understanding Based on Machine Learning and Data Informatics
Presentation Title Imbalance Learning, Inverse Design and Transfer Learning of High Entropy Alloys
Author(s) Yoon Suk Choi, Libin Zhang, Dae-Geun Nam
On-Site Speaker (Planned) Yoon Suk Choi
Abstract Scope Artificial intelligence (AI) techniques were explored as tools for imbalance learning, inverse design and transfer learning for high entropy alloys (HEAs). In the first case study, the minority phase data of HEAs were augmented using generative models, such as variational autoencoder (VAE), generative adversarial network (GAN), and denoising diffusion probabilistic model (DDPM), to address the data imbalance issue, and their performance was compared. In the second case study, the DDPM was assessed as a potential tool for the inverse design of HEAs. A DDPM-assisted generative inverse design framework was proposed, and its efficient compositional optimization was demonstrated. In the last case study, a transfer learning technique was leveraged to address the data scarcity of additively manufactured (AMed) HEAs. A basis model for the hardness prediction was pre-trained using a comprehensive dataset of as-cast HEAs, and fine-tuned to predict the hardness of AMed HEAs.

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

B-3: Machine Learning of the Creep Life of Heat-Resistant Steel and Thermodynamical Analysis Using Generative AI
Designing Materials and Processes for Power Generation Using Advanced AI Tools Such as Graph Neural Networks
Imbalance Learning, Inverse Design and Transfer Learning of High Entropy Alloys
Is AI/ML All We Need for Autonomous Experiments
Machine Learning Disordered Materials Properties
ML-Informed ReaxFF Development for Complex Metal Carbide, Oxide and Nitride Materials
Preprocessing of Inconsistent Creep Data Collected from a Literature Survey to Provide Reliable and Consistent Creep Life Prediction
The Applications of Generative Adversarial Networks (GANs) on the Prediction of the Material’s Microstructure
The Emergence of Machine Learning and Deep Learning Based Image Segmentation for Powder and Particle Characterization in Materials
Thermodynamic Investigation of LCO/LSM-Based Perovskites via CALPHAD/DFT/ML
Unraveling Doping Effects in LaCoO3 via Machine Learning-Accelerated First-Principles Simulations

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