| Scientific discovery in the age of artificial intelligence H Wang*, T Fu*, Y Du*, W Gao, K Huang, Z Liu, P Chandak, S Liu, ... Nature 620 (7972), 47-60, 2023 | 323* | 2023 |
| A Survey on Graph Structure Learning: Progress and Opportunities Y Zhu, W Xu, J Zhang, Y Du, J Zhang, Q Liu, C Yang, S Wu arXiv preprint arXiv:2103.03036, 2021 | 212* | 2021 |
| Structure-based Drug Design with Equivariant Diffusion Models A Schneuing*, Y Du*, C Harris*, A Jamasb, I Igashov, W Du, T Blundell, ... arXiv preprint arXiv:2210.13695, 2022 | 127* | 2022 |
| A Systematic Survey of Chemical Pre-trained Models J Xia, Y Zhu, Y Du, SZ Li Proceedings of the Thirty-Second International Joint Conference on …, 2023 | 84* | 2023 |
| Deep learning to segment pelvic bones: large-scale CT datasets and baseline models P Liu, H Han, Y Du, H Zhu, Y Li, F Gu, H Xiao, J Li, C Zhao, L Xiao, X Wu, ... International Journal of Computer Assisted Radiology and Surgery 16, 749-756, 2021 | 67* | 2021 |
| MolGenSurvey: A Systematic Survey in Machine Learning Models for Molecule Design Y Du, T Fu, J Sun, S Liu https://arxiv.org/pdf/2203.14500.pdf, 2022 | 63 | 2022 |
| A Survey on Deep Graph Generation: Methods and Applications Y Du*, Y Zhu*, Y Wang*, J Zhang, Q Liu, S Wu Proceedings of the First Learning on Graphs Conference 198, 47:1-47:21, 2022 | 55* | 2022 |
| Graphein-a Python Library for Geometric Deep Learning and Network Analysis on Biomolecular Structures and Interaction Networks AR Jamasb, RV Torné, EJ Ma, Y Du, C Harris, K Huang, D Hall, P Lio, ... Advances in Neural Information Processing Systems, 2022 | 53* | 2022 |
| SE(3) Equivariant Graph Neural Networks with Complete Local Frames W Du, H Zhang, Y Du, Q Meng, W Chen, B Shao, TY Liu International Conference on Machine Learning, 2022, 2021 | 48* | 2021 |
| Generating Tertiary Protein Structures via Interpretable Graph Variational Autoencoders X Guo*, Y Du*, S Tadepalli, L Zhao, A Shehu Bioinformatics Advances, 2021 | 47* | 2021 |
| GAUCHE: A Library for Gaussian Processes in Chemistry RR Griffiths, L Klarner, H Moss, A Ravuri, ST Truong, Y Du, AR Jamasb, ... Advances in Neural Information Processing Systems, 2023 | 46* | 2023 |
| 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 |
| GraphGT: Machine Learning Datasets for Graph Generation and Transformation Y Du, S Wang, X Guo, H Cao, S Hu, J Jiang, A Varala, A Angirekula, ... The 35th Conference on Neural Information Processing Systems (NeurIPS 2021), 2021 | 45 | 2021 |
| Interpretable Molecular Graph Generation via Monotonic Constraints Y Du, X Guo, A Shehu, L Zhao SIAM International Conference on Data Mining (SDM 2022), 2022 | 33* | 2022 |
| Deep Generative Model for Spatial Networks X Guo*, Y Du*, L Zhao ACM SIGKDD Conference on Knowledge Discovery and Data Mining (KDD 2021), 2021 | 26* | 2021 |
| Property Controllable Variational Autoencoder via Invertible Mutual Dependence X Guo, Y Du, L Zhao The 9th International Conference on Learning Representations (ICLR 2021), 2021 | 26 | 2021 |
| Generative adversarial learning of protein tertiary structures T Rahman, Y Du, L Zhao, A Shehu Molecules 26 (5), 1209, 2021 | 25 | 2021 |
| Physics-augmented learning: A new paradigm beyond physics-informed learning Z Liu, Y Chen, Y Du, M Tegmark arXiv preprint arXiv:2109.13901, 2021 | 23 | 2021 |
| Disentangled Spatiotemporal Graph Generative Models Y Du, X Guo, H Cao, Y Ye, L Zhao Thirty-Sixth AAAI Conference on Artificial Intelligence (AAAI 2022), 2022 | 22 | 2022 |
| Audio-Driven Co-Speech Gesture Video Generation X Liu, Q Wu, H Zhou, Y Du, W Wu, D Lin, Z Liu Advances in Neural Information Processing Systems, 2022 | 21 | 2022 |
Max WellingDistinguished Scientist at MSR AI4Science & Professor Machine Learning, University of AmsterdamVerified email at uva.nl
