| Could graph neural networks learn better molecular representation for drug discovery? A comparison study of descriptor-based and graph-based models D Jiang, Z Wu, CY Hsieh, G Chen, B Liao, Z Wang, C Shen, D Cao, J Wu, ... Journal of cheminformatics 13 (1), 1-23, 2021 | 572 | 2021 |
| Understanding and utilizing deep neural networks trained with noisy labels P Chen, BB Liao, G Chen, S Zhang International Conference on Machine Learning, 1062-1070, 2019 | 461 | 2019 |
| Qatten: A General Framework for Cooperative Multiagent Reinforcement Learning Y Yang, J Hao, B Liao, K Shao, G Chen, W Liu, H Tang arXiv preprint arXiv:2002.03939, 2020 | 230 | 2020 |
| InteractionGraphNet: A Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein–Ligand Interaction Predictions D Jiang, CY Hsieh, Z Wu, Y Kang, J Wang, E Wang, B Liao, C Shen, L Xu, ... Journal of medicinal chemistry 64 (24), 18209-18232, 2021 | 173 | 2021 |
| Multi-constraint molecular generation based on conditional transformer, knowledge distillation and reinforcement learning J Wang, CY Hsieh, M Wang, X Wang, Z Wu, D Jiang, B Liao, X Zhang, ... Nature Machine Intelligence 3 (10), 914-922, 2021 | 136 | 2021 |
| RetroPrime: A Diverse, Plausible and Transformer-based Method for Single-Step Retrosynthesis Predictions X Wang, Y Li, J Qiu, G Chen, H Liu, B Liao, CY Hsieh, X Yao Chemical Engineering Journal, 129845, 2021 | 117 | 2021 |
| Rethinking the Usage of Batch Normalization and Dropout in the Training of Deep Neural Networks G Chen, P Chen, Y Shi, CY Hsieh, B Liao, S Zhang arXiv preprint arXiv:1905.05928, 2019 | 102 | 2019 |
| Alchemy: A Quantum Chemistry Dataset for Benchmarking AI Models G Chen, P Chen, CY Hsieh, CK Lee, B Liao, R Liao, W Liu, J Qiu, Q Sun, ... arXiv preprint arXiv:1906.09427, 2019 | 88 | 2019 |
| Hyperbolic relational graph convolution networks plus: a simple but highly efficient QSAR-modeling method Z Wu, D Jiang, CY Hsieh, G Chen, B Liao, D Cao, T Hou Briefings in Bioinformatics 22 (5), bbab112, 2021 | 58 | 2021 |
| Strong Banach property (T) for simple algebraic groups of higher rank B Liao Journal of Topology and Analysis 6 (01), 75-105, 2014 | 55 | 2014 |
| Retroformer: Pushing the Limits of End-to-end Retrosynthesis Transformer Y Wan, CY Hsieh, B Liao, S Zhang International Conference on Machine Learning, 22475-22490, 2022 | 54* | 2022 |
| Balancing between accuracy and fairness for interactive recommendation with reinforcement learning W Liu, F Liu, R Tang, B Liao, G Chen, PA Heng Advances in Knowledge Discovery and Data Mining: 24th Pacific-Asia …, 2020 | 42 | 2020 |
| Noncommutative maximal ergodic inequalities associated with doubling conditions G Hong, B Liao, S Wang Duke Mathematical Journal 170 (2), 205-246, 2021 | 38 | 2021 |
| Wasserstein Collaborative Filtering for Item Cold-start Recommendation Y Meng, X Yan, W Liu, H Wu, J Cheng Proceedings of the 28th ACM Conference on User Modeling, Adaptation and …, 2020 | 26 | 2020 |
| TocoDecoy: a new approach to design unbiased datasets for training and benchmarking machine-learning scoring functions X Zhang, C Shen, B Liao, D Jiang, J Wang, Z Wu, H Du, T Wang, W Huo, ... Journal of Medicinal Chemistry 65 (11), 7918-7932, 2022 | 21 | 2022 |
| K-theory of group Banach algebras and Banach property RD B Liao, G Yu arXiv preprint arXiv:1708.01982, 2017 | 19 | 2017 |
| ChemistGA: A Chemical Synthesizable Accessible Molecular Generation Algorithm for Real-World Drug Discovery J Wang, X Wang, H Sun, M Wang, Y Zeng, D Jiang, Z Wu, Z Liu, B Liao, ... Journal of Medicinal Chemistry 65 (18), 12482-12496, 2022 | 17 | 2022 |
| A Matrix Chernoff Bound for Markov Chains and Its Application to Co-occurrence Matrices J Qiu, C Wang, B Liao, R Peng, J Tang Advances in Neural Information Processing Systems 33, 2020 | 12* | 2020 |
| ODBO: Bayesian optimization with search space prescreening for directed protein evolution L Cheng, Z Yang, B Liao, C Hsieh, S Zhang arXiv preprint arXiv:2205.09548, 2022 | 10 | 2022 |
| Pmd: An optimal transportation-based user distance for recommender systems Y Meng, X Dai, X Yan, J Cheng, W Liu, J Guo, B Liao, G Chen Advances in Information Retrieval: 42nd European Conference on IR Research …, 2020 | 10 | 2020 |
Chang-Yu HsiehZhejiang UniversityE-mailová adresa ověřena na: zju.edu.cn
