Knowledge-informed graph attention networks enable defect-free alloy design for laser additive manufacturing

Machine learning offers a promising approach to design high-performance alloys for laser additive manufacturing, by bypassing convoluted physical models and identifying correlations among composition, processing, microcracks/porosity and properties. However, conventional machine learning methods face limitations, e.g., overfitting or unreasonable design results, due to reliance on large, high-quality datasets. Here, we introduce a generic framework operable with smaller experimental datasets, by integrating knowledge-informed graph modeling alongside data uncertainty quantification. The generic physical-metallurgy knowledge and the stochasticity of experimental defect distributions from produced material are rationally balanced. To validate the approach, we detail the development of a new defect-free Ni superalloy possessing excellent laser printability, thermal stability, and high mechanical strength. Mechanism mining revealed a possible origin for this performance, which was confirmed by atom probe tomography. Subsequently, we developed a new laser-printable aluminum alloy through the same approach, highlighting the framework’s potential to accelerate next-generation alloy design for additive manufacturing. The authors report a machine-learning framework that combines a physical-metallurgy knowledge graph with uncertainty analysis to design alloys for laser powder bed fusion from small datasets, yielding crack-free nickel and aluminum alloys with high performance.