Prati
Youzhi Luo
Youzhi Luo
AWS Bedrock
Potvrđena adresa e-pošte na amazon.com - Početna stranica
Naslov
Citirano
Citirano
Godina
Graphdf: A discrete flow model for molecular graph generation
Y Luo, K Yan, S Ji
International conference on machine learning, 7192-7203, 2021
2022021
DIG: A turnkey library for diving into graph deep learning research
M Liu, Y Luo, L Wang, Y Xie, H Yuan, S Gui, H Yu, Z Xu, J Zhang, Y Liu, ...
Journal of Machine Learning Research 22 (240), 1-9, 2021
148*2021
Generating 3d molecules for target protein binding
M Liu, Y Luo, K Uchino, K Maruhashi, S Ji
arXiv preprint arXiv:2204.09410, 2022
1412022
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
1272023
Advanced graph and sequence neural networks for molecular property prediction and drug discovery
Z Wang, M Liu, Y Luo, Z Xu, Y Xie, L Wang, L Cai, Q Qi, Z Yuan, T Yang, ...
Bioinformatics 38 (9), 2579-2586, 2022
1192022
An autoregressive flow model for 3d molecular geometry generation from scratch
Y Luo, S Ji
International conference on learning representations (ICLR), 2022
942022
Stochastic optimization of areas under precision-recall curves with provable convergence
Q Qi, Y Luo, Z Xu, S Ji, T Yang
Advances in neural information processing systems 34, 1752-1765, 2021
862021
Learning fair graph representations via automated data augmentations
H Ling, Z Jiang, Y Luo, S Ji, N Zou
International Conference on Learning Representations (ICLR), 2023
542023
Joint learning of label and environment causal independence for graph out-of-distribution generalization
S Gui, M Liu, X Li, Y Luo, S Ji
Advances in Neural Information Processing Systems 36, 3945-3978, 2023
412023
Efficient approximations of complete interatomic potentials for crystal property prediction
Y Lin, K Yan, Y Luo, Y Liu, X Qian, S Ji
International conference on machine learning, 21260-21287, 2023
392023
Molecule3d: A benchmark for predicting 3d geometries from molecular graphs
Z Xu, Y Luo, X Zhang, X Xu, Y Xie, M Liu, K Dickerson, C Deng, M Nakata, ...
arXiv preprint arXiv:2110.01717, 2021
382021
Automated data augmentations for graph classification
International conference on learning representations (ICLR), 2023
32*2023
Towards symmetry-aware generation of periodic materials
Y Luo, C Liu, S Ji
Advances in Neural Information Processing Systems 36, 2024
212024
Graph Structure Extrapolation for Out-of-Distribution Generalization
X Li, S Gui, Y Luo, S Ji
Forty-first International Conference on Machine Learning, 2024
18*2024
Qh9: A quantum hamiltonian prediction benchmark for qm9 molecules
H Yu, M Liu, Y Luo, A Strasser, X Qian, X Qian, S Ji
Advances in Neural Information Processing Systems 36, 40487-40503, 2023
182023
Fast quantum property prediction via deeper 2d and 3d graph networks
M Liu, C Fu, X Zhang, L Wang, Y Xie, H Yuan, Y Luo, Z Xu, S Xu, S Ji
arXiv preprint arXiv:2106.08551, 2021
142021
MoleculeKit: Machine learning methods for molecular property prediction and drug discovery
Z Wang, M Liu, Y Luo, Z Xu, Y Xie, L Wang, L Cai, S Ji
arXiv preprint arXiv:2012.01981, 2020
62020
3D Molecular Geometry Analysis with 2D Graphs
Z Xu, Y Xie, Y Luo, X Zhang, X Xu, M Liu, K Dickerson, C Deng, M Nakata, ...
Proceedings of the 2024 SIAM International Conference on Data Mining (SDM …, 2024
32024
Geometry Informed Tokenization of Molecules for Language Model Generation
X Li, L Wang, Y Luo, C Edwards, S Gui, Y Lin, H Ji, S Ji
arXiv preprint arXiv:2408.10120, 2024
12024
Learning Disentangled Equivariant Representation for Explicitly Controllable 3D Molecule Generation
H Liu, Y Luo, T Li, J Caverlee, MR Min
arXiv preprint arXiv:2412.15086, 2024
2024
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