Generative Inverse Design of Crystal Structures via Diffusion Models with Transformers

13 June 2024

Papers citing "Generative Inverse Design of Crystal Structures via Diffusion Models with Transformers"

9 / 9 papers shown

Title
Design Topological Materials by Reinforcement Fine-Tuned Generative Model Haosheng Xu Dongheng Qian Zhixuan Liu Yadong Jiang Jing Wang 22 1 0 17 Apr 2025
Complete and Efficient Graph Transformers for Crystal Material Property Prediction Keqiang Yan Cong Fu Xiaofeng Qian Xiaoning Qian Shuiwang Ji 28 18 0 18 Mar 2024
Crystal-GFN: sampling crystals with desirable properties and constraints Mila AI4Science Alex Hernandez-Garcia Alexandre Duval Alexandra Volokhova Yoshua Bengio Divya Sharma P. Carrier Yasmine Benabed Michal Koziarski Victor Schmidt 134 18 0 07 Oct 2023
MDTv2: Masked Diffusion Transformer is a Strong Image Synthesizer Shanghua Gao Pan Zhou Mingg-Ming Cheng Shuicheng Yan DiffM 129 80 0 25 Mar 2023
Periodic Graph Transformers for Crystal Material Property Prediction Keqiang Yan Yi Liu Yu-Ching Lin Shuiwang Ji AI4TS 79 82 0 23 Sep 2022
Crystal Diffusion Variational Autoencoder for Periodic Material Generation Tian Xie Xiang Fu O. Ganea Regina Barzilay Tommi Jaakkola DiffM BDL 193 224 0 12 Oct 2021
Diffusion Probabilistic Models for 3D Point Cloud Generation Shitong Luo Wei Hu 3DPC 164 711 0 02 Mar 2021
Argmax Flows and Multinomial Diffusion: Learning Categorical Distributions Emiel Hoogeboom Didrik Nielsen P. Jaini Patrick Forré Max Welling DiffM 199 392 0 10 Feb 2021
U-Net: Convolutional Networks for Biomedical Image Segmentation Olaf Ronneberger Philipp Fischer Thomas Brox SSeg 3DV 229 74,467 0 18 May 2015