Xiang Fu

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Tommi JaakkolaMITVerified email at csail.mit.edu
Tian XieMicrosoft ResearchVerified email at microsoft.com
Pulkit AgrawalMassachusetts Institute of TechnologyVerified email at mit.edu
Regina BarzilayProfessor of EECS, MITVerified email at csail.mit.edu
Gabriel B. MargolisMassachusetts Institute of TechnologyVerified email at mit.edu
Octavian GaneaMIT, CSAILVerified email at csail.mit.edu
Rafael Gómez-BombarelliAssociate Professor, MIT DMSEVerified email at mit.edu
Sinan KetenJerome Cohen Professor, Northwestern University, Mechanical Engineering, Civil & Env. Eng.Verified email at northwestern.edu
Wujie WangGenerate Biomedicines, Inc.Verified email at mit.edu
Zhenghao WuXi'an Jiaotong-Liverpool University; Northwestern University; TU-DarmstadtVerified email at xjtlu.edu.cn
Brad OlsenProfessor of Chemical Engineering, Massachusetts Institute of TechnologyVerified email at mit.edu
Nathan RebelloMassachusetts Institute of TechnologyVerified email at mit.edu
Tao ChenPh.D. student, CSAIL, MITVerified email at mit.edu
Donghyun KimUniversity of Massachusetts AmherstVerified email at cs.umass.edu
Sangbae KimProfessor of Mechanical Engineering, MITVerified email at mit.edu
Kartik PaigwarGraduate Student, Arizona State UniversityVerified email at asu.edu
Jake A. SmithMicrosoft Research AI4ScienceVerified email at microsoft.com
Ge YangPostdoc Fellow, Massachusetts Institute of TechnologyVerified email at mit.edu
Claudio ZeniSenior Researcher @ MicrosoftVerified email at microsoft.com
Lixin Sun 孙励新Microsoft Research, Cambridge, UKVerified email at microsoft.com

Xiang Fu

MIT

Verified email at csail.mit.edu - Homepage

Machine Learning Generative Models Molecular Dynamics


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Crystal diffusion variational autoencoder for periodic material generation T Xie, X Fu, OE Ganea, R Barzilay, T Jaakkola The Tenth International Conference on Learning Representations (ICLR), 2021	150	2021
Forces are not enough: Benchmark and critical evaluation for machine learning force fields with molecular simulations X Fu, Z Wu, W Wang, T Xie, S Keten, R Gomez-Bombarelli, T Jaakkola Transactions on Machine Learning Research (TMLR), 2022	109	2022
Learning to Jump from Pixels GB Margolis, T Chen, K Paigwar, X Fu, D Kim, S bae Kim, P Agrawal 5th Annual Conference on Robot Learning (CoRL), 2021	66	2021
Learning Task Informed Abstractions X Fu, G Yang, P Agrawal, T Jaakkola International Conference on Machine Learning (ICML), 3480-3491, 2021	55	2021
Artificial intelligence for science in quantum, atomistic, and continuum systems X Zhang, L Wang, J Helwig, Y Luo, C Fu, Y Xie, M Liu, Y Lin, Z Xu, K Yan, ... arXiv preprint arXiv:2307.08423, 2023	45	2023
Simulate time-integrated coarse-grained molecular dynamics with multi-scale graph networks X Fu, T Xie, NJ Rebello, BD Olsen, T Jaakkola Transactions on Machine Learning Research (TMLR), 2022	26*	2022
Mattergen: a generative model for inorganic materials design C Zeni, R Pinsler, D Zügner, A Fowler, M Horton, X Fu, S Shysheya, ... arXiv preprint arXiv:2312.03687, 2023	22	2023
The impact of large language models on scientific discovery: a preliminary study using gpt-4 MR AI4Science, MA Quantum arXiv preprint arXiv:2311.07361, 2023	12	2023
Modelling and analysis of tagging networks in Stack Exchange Communities X Fu, S Yu, AR Benson Journal of Complex Networks 8 (5), cnz045, 2020	11	2020
Fragment-based sequential translation for molecular optimization B Chen, X Fu, R Barzilay, T Jaakkola arXiv preprint arXiv:2111.01009, 2021	8	2021
Learning to See Physical Properties with Active Sensing Motor Policies GB Margolis, X Fu, Y Ji, P Agrawal Conference on Robot Learning (CoRL), 2023	3	2023
MOFDiff: Coarse-grained Diffusion for Metal-Organic Framework Design X Fu, T Xie, AS Rosen, T Jaakkola, J Smith arXiv preprint arXiv:2310.10732, 2023	2	2023
Virtual Node Graph Neural Network for Full Phonon Prediction R Okabe, A Chotrattanapituk, A Boonkird, N Andrejevic, X Fu, ... arXiv preprint arXiv:2301.02197, 2023	1	2023
A Novel Machine Learning Framework for More Accurate Coarse Grained Free Energy Models B Duschatko, X Fu, C Owen, Y Xie, A Musaelian, T Jaakkola, B Kozinsky Bulletin of the American Physical Society, 2024		2024
Latent Space Simulator for Unveiling Molecular Free Energy Landscapes and Predicting Transition Dynamics S Dobers, H Stark, X Fu, D Beaini, S Günnemann NeurIPS 2023 AI for Science Workshop, 2023		2023
Learning Interatomic Potentials at Multiple Scales X Fu, A Musaelian, A Johansson, T Jaakkola, B Kozinsky arXiv preprint arXiv:2310.13756, 2023		2023

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