Scalable Diffusion for Materials Generation

18 October 2023

Pieter Abbeel

Papers citing "Scalable Diffusion for Materials Generation"

27 / 27 papers shown

Title
All-atom Diffusion Transformers: Unified generative modelling of molecules and materials Chaitanya K. Joshi Xiang Fu Yi-Lun Liao Vahe Gharakhanyan Benjamin Kurt Miller Anuroop Sriram Zachary W. Ulissi DiffM 42 3 0 05 Mar 2025
Periodic Materials Generation using Text-Guided Joint Diffusion Model Kishalay Das Subhojyoti Khastagir Pawan Goyal Seung-Cheol Lee S. Bhattacharjee Niloy Ganguly DiffM 24 0 0 01 Mar 2025
Known Unknowns: Out-of-Distribution Property Prediction in Materials and Molecules Nofit Segal Aviv Netanyahu Kevin P. Greenman Pulkit Agrawal Rafael Gómez-Bombarelli OODD 43 1 0 09 Feb 2025
SymmCD: Symmetry-Preserving Crystal Generation with Diffusion Models Daniel Levy Siba Smarak Panigrahi Sékou-Oumar Kaba Qiang Zhu Kin Long Kelvin Lee Mikhail Galkin Santiago Miret Siamak Ravanbakhsh 86 11 0 05 Feb 2025
A Periodic Bayesian Flow for Material Generation Hanlin Wu Yuxuan Song Jingjing Gong Ziyao Cao Y. Ouyang Jianbing Zhang Hao Zhou Wei-Ying Ma Jingjing Liu DiffM 54 1 0 04 Feb 2025
Establishing baselines for generative discovery of inorganic crystals N. Szymanski Christopher J. Bartel 30 1 0 04 Jan 2025
FlowLLM: Flow Matching for Material Generation with Large Language Models as Base Distributions Anuroop Sriram Benjamin Kurt Miller Ricky T. Q. Chen Brandon M. Wood AI4CE 24 13 0 30 Oct 2024
MatExpert: Decomposing Materials Discovery by Mimicking Human Experts Qianggang Ding Santiago Miret Bang Liu MoE 22 7 0 26 Oct 2024
Adaptive Constraint Integration for Simultaneously Optimizing Crystal Structures with Multiple Targeted Properties Akihiro Fujii Yoshitaka Ushiku Koji Shimizu Anh Khoa Augustin Lu S. Watanabe 15 0 0 11 Oct 2024
Chemistry-Inspired Diffusion with Non-Differentiable Guidance Yuchen Shen Chenhao Zhang Sijie Fu Chenghui Zhou Newell Washburn Barnabás Póczos 40 0 0 09 Oct 2024
Generative Hierarchical Materials Search Sherry Yang Simon L. Batzner Ruiqi Gao Muratahan Aykol Alexander L. Gaunt Brendan McMorrow Danilo J. Rezende Dale Schuurmans Igor Mordatch E. D. Cubuk AI4CE 20 5 0 10 Sep 2024
Exploring Selective Layer Fine-Tuning in Federated Learning Yuchang Sun Yuexiang Xie Bolin Ding Yaliang Li Jun Zhang FedML 25 1 0 28 Aug 2024
Generative Inverse Design of Crystal Structures via Diffusion Models with Transformers Izumi Takahara Kiyou Shibata Teruyasu Mizoguchi DiffM AI4CE 16 2 0 13 Jun 2024
FlowMM: Generating Materials with Riemannian Flow Matching Benjamin Kurt Miller Ricky T. Q. Chen Anuroop Sriram Brandon M. Wood 24 2 0 07 Jun 2024
Improving GFlowNets for Text-to-Image Diffusion Alignment Dinghuai Zhang Yizhe Zhang Jiatao Gu Ruixiang Zhang J. Susskind Navdeep Jaitly Shuangfei Zhai EGVM 88 7 0 02 Jun 2024
EM Distillation for One-step Diffusion Models Sirui Xie Zhisheng Xiao Diederik P. Kingma Tingbo Hou Ying Nian Wu Kevin Patrick Murphy Tim Salimans Ben Poole Ruiqi Gao VLM DiffM 24 24 0 27 May 2024
Accelerating Diffusion Models with Parallel Sampling: Inference at Sub-Linear Time Complexity Haoxuan Chen Yinuo Ren Lexing Ying Grant M. Rotskoff 23 15 0 24 May 2024
Images that Sound: Composing Images and Sounds on a Single Canvas Ziyang Chen Daniel Geng Andrew Owens DiffM 32 8 0 20 May 2024
AdsorbDiff: Adsorbate Placement via Conditional Denoising Diffusion Adeesh Kolluru John R. Kitchin DiffM 29 3 0 07 May 2024
Fine-Tuned Language Models Generate Stable Inorganic Materials as Text Nate Gruver Anuroop Sriram Andrea Madotto A. Wilson C. L. Zitnick Zachary W. Ulissi 7 53 0 06 Feb 2024
Structure-based out-of-distribution (OOD) materials property prediction: a benchmark study Sadman Sadeed Omee Nihang Fu Rongzhi Dong Ming Hu Jianjun Hu OOD 8 17 0 16 Jan 2024
A Conditional Point Diffusion-Refinement Paradigm for 3D Point Cloud Completion Zhaoyang Lyu Zhifeng Kong Xudong Xu Liang Pan Dahua Lin DiffM BDL 200 95 0 07 Dec 2021
Crystal Diffusion Variational Autoencoder for Periodic Material Generation Tian Xie Xiang Fu O. Ganea Regina Barzilay Tommi Jaakkola DiffM BDL 191 224 0 12 Oct 2021
Diffusion Probabilistic Models for 3D Point Cloud Generation Shitong Luo Wei Hu 3DPC 164 711 0 02 Mar 2021
Zero-Shot Text-to-Image Generation Aditya A. Ramesh Mikhail Pavlov Gabriel Goh Scott Gray Chelsea Voss Alec Radford Mark Chen Ilya Sutskever VLM 253 4,735 0 24 Feb 2021
E(3)-Equivariant Graph Neural Networks for Data-Efficient and Accurate Interatomic Potentials Simon L. Batzner Albert Musaelian Lixin Sun Mario Geiger J. Mailoa M. Kornbluth N. Molinari Tess E. Smidt Boris Kozinsky 183 1,218 0 08 Jan 2021
PointNet: Deep Learning on Point Sets for 3D Classification and Segmentation C. Qi Hao Su Kaichun Mo Leonidas J. Guibas 3DH 3DPC 3DV PINN 210 13,886 0 02 Dec 2016