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Generative models trained on internet-scale data are capable of generating novel and realistic texts, images, and videos.
Inhomogeneous electron gas
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Diffusion probabilistic models for 3d point cloud generation
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Inverse design of solid-state materials via a continuous representation
J. Noh, J. Kim, H. S. Stein, B. Sanchez-Lengeling, J. M. Gregoire, A. Aspuru-Guzik, and Y. Jung · 2019
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Generative modeling by estimating gradients of the data distribution
Y. Song and S. Ermon · 2019
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A critical examination of compound stability predictions from machine-learned formation energies
C. J. Bartel, A. Trewartha, Q. Wang, A. Dunn, A. Jain, and G. Ceder · 2020
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Crystal structure search with random relaxations using graph networks
G. Cheon, L. Yang, K. McCloskey, E. J. Reed, and E. D. Cubuk · 2020
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Crystal site feature embedding enables exploration of large chemical spaces
H. Choubisa, M. Askerka, K. Ryczko, O. Voznyy, K. Mills, I. Tamblyn, and E. H. Sargent · 2020
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3-d inorganic crystal structure generation and property prediction via representation learning
C. J. Court, B. Yildirim, A. Jain, and J. M. Cole · 2020
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Generative adversarial networks (gan) based efficient sampling of chemical composition space for inverse design of inorganic materials
Y. Dan, Y. Zhao, X. Li, S. Li, M. Hu, and J. Hu · 2020
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Review of computational approaches to predict the thermodynamic stability of inorganic solids
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E (3)-equivariant graph neural networks for data-efficient and accurate interatomic potentials
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Classifier-free diffusion guidance
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Score-based generative modeling of graphs via the system of stochastic differential equations
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An invertible crystallographic representation for general inverse design of inorganic crystals with targeted properties
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Photorealistic text-to-image diffusion models with deep language understanding
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Make-a-video: Text-to-video generation without text-video data
U. Singer, A. Polyak, T. Hayes, X. Yin, J. An, S. Zhang, Q. Hu, H. Yang, O. Ashual, O. Gafni, et al · 2022
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Digress: Discrete denoising diffusion for graph generation
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Geodiff: A geometric diffusion model for molecular conformation generation
M. Xu, L. Yu, Y. Song, C. Shi, S. Ermon, and J. Tang · 2022
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Scaling autoregressive models for content-rich text-to-image generation
J. Yu, Y. Xu, J. Y. Koh, T. Luong, G. Baid, Z. Wang, V. Vasudevan, A. Ku, Y. Yang, B. K. Ayan, et al · 2022
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R. Anil, A. M. Dai, O. Firat, M. Johnson, D. Lepikhin, A. Passos, S. Shakeri, E. Taropa, P. Bailey, Z. Chen, et al · 2023
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Crystal structure generation with autoregressive large language modeling
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Submitted
A. M. et al · 2023
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Positional diffusion: Ordering unordered sets with diffusion probabilistic models
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Gpt-4 technical report, 2023
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Se (3) diffusion model with application to protein backbone generation
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