Material Property
Predicting material properties is crucial for accelerating materials discovery and optimizing material design for various applications. Current research heavily utilizes machine learning, employing diverse architectures like graph neural networks, physics-informed neural networks, and diffusion models, to predict properties from various inputs (e.g., chemical composition, crystal structure, processing parameters). These methods aim to overcome limitations of traditional experimental and computational approaches by improving prediction accuracy, efficiency, and uncertainty quantification, thereby impacting fields ranging from nuclear engineering to advanced manufacturing. The development of robust, explainable models and large, high-quality datasets remains a key focus.
Papers
Physics-informed Neural Network Estimation of Material Properties in Soft Tissue Nonlinear Biomechanical Models
Federica Caforio, Francesco Regazzoni, Stefano Pagani, Elias Karabelas, Christoph Augustin, Gundolf Haase, Gernot Plank, Alfio Quarteroni
Bridging the Semantic-Numerical Gap: A Numerical Reasoning Method of Cross-modal Knowledge Graph for Material Property Prediction
Guangxuan Song, Dongmei Fu, Zhongwei Qiu, Zijiang Yang, Jiaxin Dai, Lingwei Ma, Dawei Zhang
Approaches for Uncertainty Quantification of AI-predicted Material Properties: A Comparison
Francesca Tavazza, Kamal Choudhary, Brian DeCost
Uncertainty Quantification of Bandgaps in Acoustic Metamaterials with Stochastic Geometric Defects and Material Properties
Han Zhang, Rayehe Karimi Mahabadi, Cynthia Rudin, Johann Guilleminot, L. Catherine Brinson