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crystal property prediction

5 papers

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graph neural network (3) crystal structure (2) property prediction (2) materials informatics (1) pre-training framework (1) 3d structure (1) dataset pruning (1) 3d crystal structure (1) geometric fingerprinting (1) materials representation (1)

Papers

FUSION: Dataset Pruning via Fusing Uncertainty with Structural Information for Optimal Neural Training in Crystal Property Prediction AAAI 2026 Model Agnostic Graph Prompt Learning for Crystal Property Prediction UAI 2026 A Diffusion-Based Pre-training Framework for Crystal Property Prediction AAAI 2024 CrysMMNet: Multimodal Representation for Crystal Property Prediction UAI 2023 Efficient Approximations of Complete Interatomic Potentials for Crystal Property Prediction ICML 2023