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Hengtong Zhang

3 accepted papers

2023

MDM: Molecular Diffusion Model for 3D Molecule Generation

AAAI 2023technical

Molecule generation, especially generating 3D molecular geometries from scratch (i.e., 3D de novo generation), has become a fundamental task in drug design. Existing diffusion based 3D molecule generation methods could suffer from unsatisfactory performances, especially when generating large molecul…

2021

Profanity-Avoiding Training Framework for Seq2seq Models with Certified Robustness

EMNLP 2021main

Seq2seq models have demonstrated their incredible effectiveness in a large variety of applications. However, recent research has shown that inappropriate language in training samples and well-designed testing cases can induce seq2seq models to output profanity. These outputs may potentially hurt the…