1 code implementation • 18 Apr 2024 • Yanru Qu, Keyue Qiu, Yuxuan Song, Jingjing Gong, Jiawei Han, Mingyue Zheng, Hao Zhou, Wei-Ying Ma
Generative models for structure-based drug design (SBDD) have shown promising results in recent years.
1 code implementation • 17 Mar 2024 • Yuxuan Song, Jingjing Gong, Yanru Qu, Hao Zhou, Mingyue Zheng, Jingjing Liu, Wei-Ying Ma
Advanced generative model (e. g., diffusion model) derived from simplified continuity assumptions of data distribution, though showing promising progress, has been difficult to apply directly to geometry generation applications due to the multi-modality and noise-sensitive nature of molecule geometry.
no code implementations • 12 Dec 2023 • Yuxuan Song, Jingjing Gong, Minkai Xu, Ziyao Cao, Yanyan Lan, Stefano Ermon, Hao Zhou, Wei-Ying Ma
The generation of 3D molecules requires simultaneously deciding the categorical features~(atom types) and continuous features~(atom coordinates).
no code implementations • 23 Nov 2023 • Yiming Wang, Yuxuan Song, Minkai Xu, Rui Wang, Hao Zhou, WeiYing Ma
Our key innovation is to develop a multi-stage diffusion process.
1 code implementation • 8 Jul 2023 • Yuxuan Song, Xinyue Li, Lin Qi
In order to better explore the advantages of the two encoders, we design a cross-attention-based Feature Grafting Module to graft features extracted from Transformer branch into CNN branch, after which the features are aggregated in the Feature Fusion Module.
no code implementations • 7 Jun 2023 • Yuxuan Song, Yongyu Wang
Exploratory data analysis (EDA) is a vital procedure for data science projects.
1 code implementation • 5 May 2023 • Bo Qiang, Yuxuan Song, Minkai Xu, Jingjing Gong, Bowen Gao, Hao Zhou, WeiYing Ma, Yanyan Lan
Generating desirable molecular structures in 3D is a fundamental problem for drug discovery.
no code implementations • 19 Apr 2023 • Yuxuan Song, Yongyu Wang
This paper proposes a novel framework for accelerating support vector clustering.
no code implementations • 29 Sep 2021 • Qiwei Ye, Yuxuan Song, Chang Liu, Fangyun Wei, Tao Qin, Tie-Yan Liu
Stochastic polic have been widely applied for their good property in exploration and uncertainty quantification.
Ranked #1 on MuJoCo Games on Ant-v3
no code implementations • 20 Jul 2021 • Wenxian Shi, Yuxuan Song, Hao Zhou, Bohan Li, Lei LI
However, it has been observed that a converged heavy teacher model is strongly constrained for learning a compact student network and could make the optimization subject to poor local optima.
no code implementations • 1 Jan 2021 • Wenxian Shi, Yuxuan Song, Hao Zhou, Bohan Li, Lei LI
However, it has been observed that a converged heavy teacher model is strongly constrained for learning a compact student network and could make the optimization subject to poor local optima.
1 code implementation • ACL 2020 • Ning Miao, Yuxuan Song, Hao Zhou, Lei LI
It has been a common approach to pre-train a language model on a large corpus and fine-tune it on task-specific data.
no code implementations • 12 Jul 2020 • Yuxuan Song, Ning Miao, Hao Zhou, Lantao Yu, Mingxuan Wang, Lei LI
Auto-regressive sequence generative models trained by Maximum Likelihood Estimation suffer the exposure bias problem in practical finite sample scenarios.
1 code implementation • 5 Apr 2020 • Yuxuan Song, Qiwei Ye, Minkai Xu, Tie-Yan Liu
Generative Adversarial Networks (GANs) have shown great promise in modeling high dimensional data.
Ranked #7 on Image Generation on STL-10
1 code implementation • 3 Apr 2020 • Yuxuan Song, Minkai Xu, Lantao Yu, Hao Zhou, Shuo Shao, Yong Yu
In this paper, motivated by the inherent connections between neural joint source-channel coding and discrete representation learning, we propose a novel regularization method called Infomax Adversarial-Bit-Flip (IABF) to improve the stability and robustness of the neural joint source-channel coding scheme.
no code implementations • 21 Nov 2019 • Yuxuan Song, Lantao Yu, Zhangjie Cao, Zhiming Zhou, Jian Shen, Shuo Shao, Wei-Nan Zhang, Yong Yu
Domain adaptation aims to leverage the supervision signal of source domain to obtain an accurate model for target domain, where the labels are not available.
1 code implementation • 2 Apr 2019 • Zhiming Zhou, Jian Shen, Yuxuan Song, Wei-Nan Zhang, Yong Yu
Lipschitz continuity recently becomes popular in generative adversarial networks (GANs).
1 code implementation • 15 Feb 2019 • Zhiming Zhou, Jiadong Liang, Yuxuan Song, Lantao Yu, Hongwei Wang, Wei-Nan Zhang, Yong Yu, Zhihua Zhang
By contrast, Wasserstein GAN (WGAN), where the discriminative function is restricted to 1-Lipschitz, does not suffer from such a gradient uninformativeness problem.
no code implementations • 15 Nov 2018 • Guansong Lu, Zhiming Zhou, Yuxuan Song, Kan Ren, Yong Yu
CycleGAN is capable of learning a one-to-one mapping between two data distributions without paired examples, achieving the task of unsupervised data translation.
1 code implementation • 2 Jul 2018 • Zhiming Zhou, Yuxuan Song, Lantao Yu, Hongwei Wang, Jiadong Liang, Wei-Nan Zhang, Zhihua Zhang, Yong Yu
In this paper, we investigate the underlying factor that leads to failure and success in the training of GANs.
2 code implementations • ICLR 2018 • Zhiming Zhou, Han Cai, Shu Rong, Yuxuan Song, Kan Ren, Wei-Nan Zhang, Yong Yu, Jun Wang
Our proposed model also outperforms the baseline methods in the new metric.