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Youzhi Luo

Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems

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Jul 17, 2023
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Towards Symmetry-Aware Generation of Periodic Materials

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Jul 06, 2023
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Efficient Approximations of Complete Interatomic Potentials for Crystal Property Prediction

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Jun 26, 2023
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QH9: A Quantum Hamiltonian Prediction Benchmark for QM9 Molecules

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Jun 15, 2023
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Graph Structure and Feature Extrapolation for Out-of-Distribution Generalization

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Jun 13, 2023
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Joint Learning of Label and Environment Causal Independence for Graph Out-of-Distribution Generalization

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Jun 08, 2023
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Generating 3D Molecules for Target Protein Binding

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Apr 19, 2022
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Automated Data Augmentations for Graph Classification

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Mar 19, 2022
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Molecule3D: A Benchmark for Predicting 3D Geometries from Molecular Graphs

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Sep 30, 2021
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Fast Quantum Property Prediction via Deeper 2D and 3D Graph Networks

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Jun 16, 2021
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