FlowMM: Generating Materials with Riemannian Flow Matching

International Conference on Machine Learning (ICML), 2024

7 June 2024

Papers citing "FlowMM: Generating Materials with Riemannian Flow Matching"

40 / 40 papers shown

Title
LeMat-GenBench: A Unified Evaluation Framework for Crystal Generative Models Siddharth Betala Samuel P. Gleason Ali Ramlaoui Andy Xu Georgia Channing ... Félix Therrien A. Garcia Rocío Mercado N. M. Anoop Krishnan Alexandre Duval ELM 52 0 0 04 Dec 2025
Generative models for crystalline materials Houssam Metni Laura Ruple Lauren N. Walters Luca Torresi Jonas Teufel ... Paul Link Lukas Bär Mariana Petrova Gerbrand Ceder Pascal Friederich AI4CE 192 0 0 27 Nov 2025
Tensor Gauge Flow Models Alexander Strunk Roland Assam DRL 192 0 0 18 Nov 2025
Introducing physics-informed generative models for targeting structural novelty in the exploration of chemical space A. Vasylenko Federico Ottomano Christopher M. Collins Rahul Savani M. Dyer M. Rosseinsky 116 0 0 27 Oct 2025
LLM Meets Diffusion: A Hybrid Framework for Crystal Material Generation Subhojyoti Khastagir Kishalay Das Pawan Goyal Seung-Cheol Lee S. Bhattacharjee Niloy Ganguly 100 1 0 27 Oct 2025
Generalised Flow Maps for Few-Step Generative Modelling on Riemannian Manifolds Oscar Davis M. S. Albergo Nicholas M. Boffi Michael Bronstein A. Bose DRL AI4CE 223 0 0 24 Oct 2025
Demystifying Transition Matching: When and Why It Can Beat Flow Matching Jaihoon Kim Rajarshi Saha Minhyuk Sung Youngsuk Park 125 0 0 20 Oct 2025
Continuous Uniqueness and Novelty Metrics for Generative Modeling of Inorganic Crystals Masahiro Negishi Hyunsoo Park Kinga O. Mastej Aron Walsh 100 3 0 14 Oct 2025
ESS-Flow: Training-free guidance of flow-based models as inference in source space Adhithyan Kalaivanan Zheng Zhao Jens Sjölund Fredrik Lindsten BDL 197 0 0 07 Oct 2025
Guided Diffusion for the Discovery of New Superconductors Pawan Prakash Jason B. Gibson Zhongwei Li Gabriele Di Gianluca Juan Esquivel ... Stefano Martiniani Gregory R. Stewart James J. Hamlin P. Hirschfeld R. G. Hennig DiffM 112 2 0 29 Sep 2025
Chance-constrained Flow Matching for High-Fidelity Constraint-aware Generation Jinhao Liang Yixuan Sun Anirban Samaddar Sandeep Madireddy Ferdinando Fioretto 129 0 0 29 Sep 2025
All that structure matches does not glitter Maya M. Martirossyan Thomas Egg Philipp Hoellmer George Karypis Mark K. Transtrum Adrian Roitberg Mingjie Liu Richard G. Hennig E. Tadmor Stefano Martiniani 158 3 0 15 Sep 2025
PLaID++: A Preference Aligned Language Model for Targeted Inorganic Materials Design Andy Xu Rohan Desai Larry Wang Gabriel Hope Ethan Ritz 123 2 0 08 Sep 2025
Challenges in Non-Polymeric Crystal Structure Prediction: Why a Geometric, Permutation-Invariant Loss is Needed Emmanuel Jehanno Romain Menegaux Julien Mairal Sergei Grudinin 214 0 0 31 Aug 2025
FlowMol3: Flow Matching for 3D De Novo Small-Molecule Generation Ian Dunn D. Koes 168 7 0 18 Aug 2025
CrystalDiT: A Diffusion Transformer for Crystal Generation Xiaohan Yi Guikun Xu Xi Xiao Zhong Zhang Liu Liu Yatao Bian Peilin Zhao 130 0 0 13 Aug 2025
Artificial Intelligence and Generative Models for Materials Discovery -- A Review Albertus Denny Handoko Riko I Made AI4CE 132 5 0 05 Aug 2025
AI-Assisted Rapid Crystal Structure Generation Towards a Target Local Environment Osman Goni Ridwan Sylvain Pitié Monish Soundar Raj Dong Dai Gilles Frapper Hongfei Xue Qiang Zhu 100 0 0 09 Jun 2025
GGBall: Graph Generative Model on Poincaré Ball Tianci Bu Chuanrui Wang Hao Ma Haoren Zheng Xin Lu Tailin Wu 222 0 0 08 Jun 2025
Toward Greater Autonomy in Materials Discovery Agents: Unifying Planning, Physics, and Scientists Lianhao Zhou Hongyi Ling Keqiang Yan Kaiji Zhao X. Qian Raymundo Arroyave Xiaofeng Qian Shuiwang Ji LLMAG AI4CE 282 3 0 05 Jun 2025
High-order Equivariant Flow Matching for Density Functional Theory Hamiltonian Prediction Seongsu Kim N. Kim Dongwoo Kim SungSoo Ahn 284 2 0 24 May 2025
Flexible MOF Generation with Torsion-Aware Flow Matching N. Kim Seongsu Kim Sungsoo Ahn AI4CE 401 2 0 23 May 2025
Materials Generation in the Era of Artificial Intelligence: A Comprehensive Survey Zhixun Li Bin Cao Rui Jiao Shu Wu Ding Wang ... Sihan Yang Yu Rong Liang Wang Tong-yi Zhang Jeffrey Xu Yu 3DV AI4CE 328 7 0 22 May 2025
Riemannian Flow Matching for Brain Connectivity Matrices via Pullback Geometry Antoine Collas Ce Ju Nicolas Salvy Bertrand Thirion 194 1 0 20 May 2025
Space Group Equivariant Crystal Diffusion Rees Chang Angela Pak Alex Guerra Ni Zhan Nick Richardson Elif Ertekin Ryan P. Adams 329 5 0 16 May 2025
Symmetry-Informed Graph Neural Networks for Carbon Dioxide Isotherm and Adsorption Prediction in Aluminum-Substituted ZeolitesJournal of Materials Chemistry A (J. Mater. Chem. A), 2025 M. Petković José-Manuel Vicent Luna El\=ıza Beate Dinne Vlado Menkovski Sofía Calero AI4CE 207 0 0 26 Mar 2025
Potential Score Matching: Debiasing Molecular Structure Sampling with Potential Energy Guidance Kaiyuan Gao Guoqing Liu Yu Xie Junlong Li Pipi Hu Yi Zhu DiffM 305 0 0 18 Mar 2025
Siamese Foundation Models for Crystal Structure Prediction Liming Wu Wenbing Huang Rui Jiao Jianxing Huang Liwei Liu ... Hao Sun Yang Liu F. Sun Yuxiang Ren J. Wen 257 5 0 13 Mar 2025
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 558 39 0 05 Mar 2025
Periodic Materials Generation using Text-Guided Joint Diffusion ModelInternational Conference on Learning Representations (ICLR), 2025 Kishalay Das Subhojyoti Khastagir Pawan Goyal Seung-Cheol Lee S. Bhattacharjee Niloy Ganguly DiffM 202 9 0 01 Mar 2025
Invariant Tokenization of Crystalline Materials for Language Model Enabled GenerationNeural Information Processing Systems (NeurIPS), 2025 Keqiang Yan Xiner Li Hongyi Ling Kenna Ashen Carl Edwards ... Marinka Zitnik Heng Ji Xiaofeng Qian X. Qian Shuiwang Ji 316 15 0 28 Feb 2025
SymmCD: Symmetry-Preserving Crystal Generation with Diffusion ModelsInternational Conference on Learning Representations (ICLR), 2025 Daniel Levy Siba Smarak Panigrahi Sékou-Oumar Kaba Qiang Zhu Kin Long Kelvin Lee Mikhail Galkin Santiago Miret Siamak Ravanbakhsh 1.1K 36 0 05 Feb 2025
$deCIFer: Crystal Structure Prediction from Powder Diffraction Data using Autoregressive Language Models$ deCIFer: Crystal Structure Prediction from Powder Diffraction Data using Autoregressive Language Models Frederik L. Johansen Ulrik Friis-Jensen Erik B. Dam Kirsten M. Ø. Jensen Rocío Mercado Raghavendra Selvan 725 6 0 04 Feb 2025
Open Materials Generation with Stochastic Interpolants Philipp Hoellmer Thomas Egg Maya M. Martirossyan Eric Fuemmeler Zeren Shui ... George Karypis Mark K. Transtrum Richard G. Hennig E. Tadmor Stefano Martiniani AI4CE 360 12 0 04 Feb 2025
A Periodic Bayesian Flow for Material GenerationInternational Conference on Learning Representations (ICLR), 2025 Hanlin Wu Yuxuan Song Jingjing Gong Ziyao Cao Y. Ouyang Jianbing Zhang Hao Zhou Wei-Ying Ma Jingjing Liu DiffM 390 11 0 04 Feb 2025
Establishing baselines for generative discovery of inorganic crystalsMaterials Horizons (Mater. Horiz.), 2025 N. Szymanski Christopher J. Bartel 192 4 0 04 Jan 2025
FlowLLM: Flow Matching for Material Generation with Large Language Models as Base DistributionsNeural Information Processing Systems (NeurIPS), 2024 Anuroop Sriram Benjamin Kurt Miller Ricky T. Q. Chen Brandon M. Wood AI4CE 207 41 0 30 Oct 2024
MatExpert: Decomposing Materials Discovery by Mimicking Human ExpertsInternational Conference on Learning Representations (ICLR), 2024 Qianggang Ding Santiago Miret Bang Liu MoE 151 15 0 26 Oct 2024
MOFFlow: Flow Matching for Structure Prediction of Metal-Organic FrameworksInternational Conference on Learning Representations (ICLR), 2024 N. Kim Seongsu Kim Minsu Kim Jinkyoo Park Sungsoo Ahn AI4CE 497 5 0 07 Oct 2024
Space Group Informed Transformer for Crystalline Materials GenerationScience Bulletin (Sci. Bull.), 2024 Zhendong Cao Xiaoshan Luo Jianwei Lv Lei Wang AI4CE 298 36 0 23 Mar 2024