"materials discovery" Papers

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SimXRD-4M: Big Simulated X-ray Diffraction Data and Crystal Symmetry Classification Benchmark

Bin Cao, Yang Liu, Zinan Zheng et al.

ICLR 2025
6
citations

SymmCD: Symmetry-Preserving Crystal Generation with Diffusion Models

Daniel Levy, Siba Smarak Panigrahi, Sékou-Oumar Kaba et al.

ICLR 2025arXiv:2502.03638
41
citations

Position: Opportunities Exist for Machine Learning in Magnetic Fusion Energy

Lucas Spangher, Allen Wang, Andrew Maris et al.

ICML 2024

Quality-Weighted Vendi Scores And Their Application To Diverse Experimental Design

Quan Nguyen, Adji Bousso Dieng

ICML 2024arXiv:2405.02449
15
citations