no code implementations • 1 May 2024 • Shaoning Li, Yusong Wang, Mingyu Li, Jian Zhang, Bin Shao, Nanning Zheng, Jian Tang
Molecular dynamics (MD) is a crucial technique for simulating biological systems, enabling the exploration of their dynamic nature and fostering an understanding of their functions and properties.
no code implementations • 14 Mar 2024 • He Zhang, Chang Liu, Zun Wang, Xinran Wei, Siyuan Liu, Nanning Zheng, Bin Shao, Tie-Yan Liu
This merit addresses the data scarcity difficulty, and distinguishes the task from other property prediction formulations with unique benefits: (1) self-consistency training enables the model to be trained on a large amount of unlabeled data, hence substantially enhances generalization; (2) self-consistency training is more efficient than labeling data with DFT for supervised training, since it is an amortization of DFT calculation over a set of molecular structures.
no code implementations • 28 Sep 2023 • He Zhang, Siyuan Liu, Jiacheng You, Chang Liu, Shuxin Zheng, Ziheng Lu, Tong Wang, Nanning Zheng, Bin Shao
Orbital-free density functional theory (OFDFT) is a quantum chemistry formulation that has a lower cost scaling than the prevailing Kohn-Sham DFT, which is increasingly desired for contemporary molecular research.
no code implementations • ICCV 2023 • Peiyan Guan, Renjing Pei, Bin Shao, Jianzhuang Liu, Weimian Li, Jiaxi Gu, Hang Xu, Songcen Xu, Youliang Yan, Edmund Y. Lam
The parallel isomeric attention module is used as the video encoder, which consists of two parallel branches modeling the spatial-temporal information of videos from both patch and frame levels.
Ranked #3 on Video Retrieval on MSR-VTT-1kA
no code implementations • CVPR 2023 • Renjing Pei, Jianzhuang Liu, Weimian Li, Bin Shao, Songcen Xu, Peng Dai, Juwei Lu, Youliang Yan
Pre-training a vison-language model and then fine-tuning it on downstream tasks have become a popular paradigm.
no code implementations • ICCV 2023 • Bin Shao, Jianzhuang Liu, Renjing Pei, Songcen Xu, Peng Dai, Juwei Lu, Weimian Li, Youliang Yan
However, compared to image-language pre-training, VLP has lagged far behind due to the lack of large amounts of video-text pairs.
no code implementations • 23 Nov 2022 • Yusong Wang, Shaoning Li, Zun Wang, Xinheng He, Bin Shao, Tie-Yan Liu, Tong Wang
In the technical report, we provide our solution for OGB-LSC 2022 Graph Regression Task.
no code implementations • 28 Mar 2022 • Zimeng Li, Shichao Zhu, Bin Shao, Tie-Yan Liu, Xiangxiang Zeng, Tong Wang
Drug-drug interaction (DDI) prediction provides a drug combination strategy for systemically effective treatment.
1 code implementation • NeurIPS 2021 • He Zhang, Fusong Ju, Jianwei Zhu, Liang He, Bin Shao, Nanning Zheng, Tie-Yan Liu
These methods generally derive coevolutionary features by aggregating the learned residue representations from individual sequences with equal weights, which is inconsistent with the premise that residue co-evolutions are a reflection of collective covariation patterns of numerous homologous proteins.
no code implementations • 29 Oct 2021 • Liang He, Shizhuo Zhang, Lijun Wu, Huanhuan Xia, Fusong Ju, He Zhang, Siyuan Liu, Yingce Xia, Jianwei Zhu, Pan Deng, Bin Shao, Tao Qin, Tie-Yan Liu
The key problem in the protein sequence representation learning is to capture the co-evolutionary information reflected by the inter-residue co-variation in the sequences.
1 code implementation • 26 Oct 2021 • Weitao Du, He Zhang, Yuanqi Du, Qi Meng, Wei Chen, Bin Shao, Tie-Yan Liu
In this paper, we propose a framework to construct SE(3) equivariant graph neural networks that can approximate the geometric quantities efficiently.
no code implementations • 14 Oct 2021 • Siyuan Liu, Yusong Wang, Tong Wang, Yifan Deng, Liang He, Bin Shao, Jian Yin, Nanning Zheng, Tie-Yan Liu
The identification of active binding drugs for target proteins (termed as drug-target interaction prediction) is the key challenge in virtual screening, which plays an essential role in drug discovery.
no code implementations • 6 Jan 2021 • Yao Li, Tong Wang, Juanrong Zhang, Bin Shao, Haipeng Gong, Yusong Wang, Siyuan Liu, Tie-Yan Liu
We performed molecular dynamics simulation on the S protein with a focus on the function of its N-terminal domains (NTDs).
no code implementations • 8 May 2020 • Ziqi Yang, Bin Shao, Bohan Xuan, Ee-Chien Chang, Fan Zhang
Neural networks are susceptible to data inference attacks such as the model inversion attack and the membership inference attack, where the attacker could infer the reconstruction and the membership of a data sample from the confidence scores predicted by the target classifier.
1 code implementation • ACL 2020 • Wentao Xu, Shun Zheng, Liang He, Bin Shao, Jian Yin, Tie-Yan Liu
In recent years, knowledge graph embedding becomes a pretty hot research topic of artificial intelligence and plays increasingly vital roles in various downstream applications, such as recommendation and question answering.
Ranked #1 on Link Prediction on YAGO37
no code implementations • 12 Nov 2018 • Lianping Yang, Bin Shao, Ting Sun, Song Ding, Xiangde Zhang
The inpainting network restores the low-resolution(LR) obscured face images.