Asynchronous Stochastic Gradient Descent with Delay Compensation for Distributed Deep Learning. - Shuxin Zheng; Qi Meng; Taifeng Wang; Wei Chen 034; Nenghai Yu; Zhiming Ma; Tie-Yan Liu (CoRR, 2016)

Asynchronous Stochastic Gradient Descent with Delay Compensation. - Shuxin Zheng; Qi Meng; Taifeng Wang; Wei Chen 034; Nenghai Yu; Zhiming Ma; Tie-Yan Liu (ICML, 2017)

A Dendritic Neuron Model with Nonlinearity Validation on Istanbul Stock and Taiwan Futures Exchange Indexes Prediction. - Dongbao Jia; Shuxin Zheng; Lin Yang; Yuki Todo; Shangce Gao (CCIS, 2018)

Optimizing Neural Networks in the Equivalent Class Space. - Qi Meng; Wei Chen 034; Shuxin Zheng; Qiwei Ye; Tie-Yan Liu (CoRR, 2018)

Capacity Control of ReLU Neural Networks by Basis-Path Norm. - Shuxin Zheng; Qi Meng; Huishuai Zhang; Wei Chen 034; Nenghai Yu; Tie-Yan Liu (AAAI, 2019)

G-SGD: Optimizing ReLU Neural Networks in its Positively Scale-Invariant Space. - Qi Meng; Shuxin Zheng; Huishuai Zhang; Wei Chen 034; Qiwei Ye; Zhi-Ming Ma; Nenghai Yu; Tie-Yan Liu (ICLR (Poster), 2019)

OptQuant: Distributed training of neural networks with optimized quantization mechanisms. - Li He; Shuxin Zheng; Wei Chen 034; Zhiming Ma; Tie-Yan Liu (Neurocomputing, 2019)

Invertible Image Rescaling. - Mingqing Xiao 002; Shuxin Zheng; Chang Liu 030; Yaolong Wang; Di He 001; Guolin Ke; Jiang Bian 002; Zhouchen Lin; Tie-Yan Liu (ECCV (1), 2020)

On Layer Normalization in the Transformer Architecture. - Ruibin Xiong; Yunchang Yang; Di He 001; Kai Zheng 007; Shuxin Zheng; Chen Xing; Huishuai Zhang; Yanyan Lan; Liwei Wang 001; Tie-Yan Liu (ICML, 2020)

MC-BERT: Efficient Language Pre-Training via a Meta Controller. - Zhenhui Xu; Linyuan Gong; Guolin Ke; Di He 001; Shuxin Zheng; Liwei Wang 001; Jiang Bian 002; Tie-Yan Liu (CoRR, 2020)

Modeling Lost Information in Lossy Image Compression. - Yaolong Wang; Mingqing Xiao 002; Chang Liu 030; Shuxin Zheng; Tie-Yan Liu (CoRR, 2020)

Cross-Iteration Batch Normalization. - Zhuliang Yao; Yue Cao 001; Shuxin Zheng; Gao Huang 001; Stephen Lin 001 (CVPR, 2021)

How could Neural Networks understand Programs? - Dinglan Peng; Shuxin Zheng; Yatao Li; Guolin Ke; Di He 001; Tie-Yan Liu (ICML, 2021)

The Open Catalyst Challenge 2021: Competition Report. - Abhishek Das; Muhammed Shuaibi; Aini Palizhati; Siddharth Goyal; Aditya Grover; Adeesh Kolluru; Janice Lan; Ammar Rizvi; Anuroop Sriram; Brandon M. Wood; Devi Parikh; Zachary W. Ulissi; et al. (NeurIPS (Competition and Demos), 2021)

Stable, Fast and Accurate: Kernelized Attention with Relative Positional Encoding. - Shengjie Luo; Shanda Li; Tianle Cai; Di He 001; Dinglan Peng; Shuxin Zheng; Guolin Ke; Liwei Wang 001; Tie-Yan Liu (NeurIPS, 2021)

Do Transformers Really Perform Badly for Graph Representation? - Chengxuan Ying; Tianle Cai; Shengjie Luo; Shuxin Zheng; Guolin Ke; Di He 001; Yanming Shen; Tie-Yan Liu (NeurIPS, 2021)

Revisiting Language Encoding in Learning Multilingual Representations. - Shengjie Luo; Kaiyuan Gao; Shuxin Zheng; Guolin Ke; Di He 001; Liwei Wang 001; Tie-Yan Liu (CoRR, 2021)

Do Transformers Really Perform Bad for Graph Representation? - Chengxuan Ying; Tianle Cai; Shengjie Luo; Shuxin Zheng; Guolin Ke; Di He 001; Yanming Shen; Tie-Yan Liu (CoRR, 2021)

First Place Solution of KDD Cup 2021 & OGB Large-Scale Challenge Graph Prediction Track. - Chengxuan Ying; Mingqi Yang; Shuxin Zheng; Guolin Ke; Shengjie Luo; Tianle Cai; Chenglin Wu; Yuxin Wang; Yanming Shen; Di He 001 (CoRR, 2021)

A Hybrid Medical Causal Inference Platform Based on Data Lake. - Peng Ren 005; Xingyue Liu; Shuxin Zheng; Lijun Liao; Xin Li 111; Ligong Lu; Xia Wang; Ruoyu Wang 022; Ming Sheng (HIS, 2022)

Your Transformer May Not be as Powerful as You Expect. - Shengjie Luo; Shanda Li; Shuxin Zheng; Tie-Yan Liu; Liwei Wang 001; Di He 001 (NeurIPS, 2022)

Quantized Training of Gradient Boosting Decision Trees. - Yu Shi; Guolin Ke; Zhuoming Chen; Shuxin Zheng; Tie-Yan Liu (NeurIPS, 2022)

Benchmarking Graphormer on Large-Scale Molecular Modeling Datasets. - Yu Shi; Shuxin Zheng; Guolin Ke; Yifei Shen; Jiacheng You; Jiyan He; Shengjie Luo; Chang Liu 030; Di He 001; Tie-Yan Liu (CoRR, 2022)

Predicting the protein-ligand affinity from molecular dynamics trajectories. - Yaosen Min; Ye Wei; Peizhuo Wang; Nian Wu; Stefan Bauer; Shuxin Zheng; Yu Shi; Yingheng Wang; Dan Zhao 004; Ji Wu 002; Jianyang Zeng 001 (CoRR, 2022)

A New Enhanced Tensor Low Rank Representation Method for Image Denoising. - Cuicui Peng; Yunjie Zhang; Shuxin Zheng (ICCIP, 2023)

One Transformer Can Understand Both 2D & 3D Molecular Data. - Shengjie Luo; Tianlang Chen; Yixian Xu; Shuxin Zheng; Tie-Yan Liu; Liwei Wang 001; Di He 001 (ICLR, 2023)

Molecule Generation For Target Protein Binding with Structural Motifs. - Zaixi Zhang; Yaosen Min; Shuxin Zheng; Qi Liu 003 (ICLR, 2023)

Towards Predicting Equilibrium Distributions for Molecular Systems with Deep Learning. - Shuxin Zheng; Jiyan He; Chang Liu 030; Yu Shi; Ziheng Lu; Weitao Feng 001; Fusong Ju; Jiaxi Wang; Jianwei Zhu; Yaosen Min; He Zhang; Shidi Tang; et al. (CoRR, 2023)

M-OFDFT: Overcoming the Barrier of Orbital-Free Density Functional Theory for Molecular Systems Using Deep Learning. - He Zhang; Siyuan Liu 005; Jiacheng You; Chang Liu 030; Shuxin Zheng; Ziheng Lu; Tong Wang 014; Nanning Zheng 001; Bin Shao (CoRR, 2023)

Inverse Design of Vitrimeric Polymers by Molecular Dynamics and Generative Modeling. - Yiwen Zheng; Prakash Thakolkaran; Jake A. Smith; Ziheng Lu; Shuxin Zheng; Bichlien H. Nguyen; Siddhant Kumar; Aniruddh Vashisth (CoRR, 2023)

Control Risk for Potential Misuse of Artificial Intelligence in Science. - Jiyan He; Weitao Feng 001; Yaosen Min; Jingwei Yi; Kunsheng Tang; Shuai Li; Jie Zhang 073; Kejiang Chen; Wenbo Zhou; Xing Xie 001; Weiming Zhang 001; Nenghai Yu; et al. (CoRR, 2023)

Invertible Rescaling Network and Its Extensions. - Mingqing Xiao 002; Shuxin Zheng; Chang Liu 030; Zhouchen Lin; Tie-Yan Liu (Int. J. Comput. Vis., 2023)

Adaptive tourism forecasting using hybrid artificial intelligence model: a case study of Xi'an international tourist arrivals. - Shuxin Zheng; Zhongguo Zhang (PeerJ Comput. Sci., 2023)

GeoMFormer: A General Architecture for Geometric Molecular Representation Learning. - Tianlang Chen; Shengjie Luo; Di He 001; Shuxin Zheng; Tie-Yan Liu; Liwei Wang 001 (ICML, 2024)

Bridging Geometric States via Geometric Diffusion Bridge. - Shengjie Luo; Yixian Xu; Di He 001; Shuxin Zheng; Tie-Yan Liu; Liwei Wang 001 (NeurIPS, 2024)

A Cross-Period Network for Clothing Change Person Re-Identification. - Shuxin Zheng; Sai Liang; Chunyun Meng; Zhongguo Zhang; Li Luan (IEEE Access, 2024)

Towards Generalist Prompting for Large Language Models by Mental Models. - Haoxiang Guan; Jiyan He; Shuxin Zheng; En-Hong Chen; Weiming Zhang 001; Nenghai Yu (CoRR, 2024)

Predicting equilibrium distributions for molecular systems with deep learning. - Shuxin Zheng; Jiyan He; Chang Liu 030; Yu Shi; Ziheng Lu; Weitao Feng 001; Fusong Ju; Jiaxi Wang; Jianwei Zhu; Yaosen Min; He Zhang; Shidi Tang; et al. (Nat. Mac. Intell., 2024)

Author Correction: Predicting equilibrium distributions for molecular systems with deep learning. - Shuxin Zheng; Jiyan He; Chang Liu 030; Yu Shi; Ziheng Lu; Weitao Feng 001; Fusong Ju; Jiaxi Wang; Jianwei Zhu; Yaosen Min; He Zhang; Shidi Tang; et al. (Nat. Mac. Intell., 2024)

Overcoming the barrier of orbital-free density functional theory for molecular systems using deep learning. - He Zhang; Siyuan Liu 005; Jiacheng You; Chang Liu 030; Shuxin Zheng; Ziheng Lu; Tong Wang 014; Nanning Zheng 001; Bin Shao (Nat. Comput. Sci., 2024)

NatureLM: Deciphering the Language of Nature for Scientific Discovery. - Yingce Xia; Peiran Jin; Shufang Xie 003; Liang He 010; Chuan Cao; Renqian Luo; Guoqing Liu; Yue Wang 017; Zequn Liu; Yuan-Jyue Chen; Zekun Guo; Yeqi Bai; et al. (CoRR, 2025)

Modeling Earth-Scale Human-Like Societies with One Billion Agents. - Haoxiang Guan; Jiyan He; Liyang Fan; Zhenzhen Ren 001; Shaobin He; Xin Yu; Yuan Chen; Shuxin Zheng; Tie-Yan Liu; Zhen Liu (CoRR, 2025)

No Free Lunch: Rethinking Internal Feedback for LLM Reasoning. - Yanzhi Zhang; Zhaoxi Zhang; Haoxiang Guan; Yilin Cheng; Yitong Duan; Chen Wang; Yue Wang; Shuxin Zheng; Jiyan He (CoRR, 2025)