EDUCATION

2012.09 – 2017.07 PhD in Computer Science and Technology, Tsinghua University, Supervised by Prof. Fuchun Sun.

2016.03 – 2017.03 Visiting PhD in Australian National University, Jointly Supervised by Prof. Mehrtash Harandi.

2008.09 – 2012.07 BE in Mathematics and Applied Mathematics, Beihang University.

WORK EXPERIENCE

2023.07 – Now Associate Professor, Renmin University of China

2022.09 – 2023.07 Assistant Professor, Renmin University of China

2019.10 – 2022.09 Postdoc, Assistant Researcher at Tsinghua University

2017.07 – 2019.09 Senior Researcher at Tencent AI Lab

RESEARCH INTERESTS

"There is no royal road to geometry.'' --- Euclid

The Geometric Learning And Discovery (GLAD) group is mainly interested in the following directions:

1. Geometric Deep Learning (GDL): Model images, videos, spatio-temporal data, social networks, and scientific data as geometric objects with certain symmetry, such as sets, manifolds, graphs, etc, and then developing specific machine learning models to represent and process these data. Particularly for graph data processing via GNNs, we research the expressivity of GNNs, how to train GNNs efficiently, how to perform self-supervised GNN learning.

2. GDL for Robot Sensing and Decision-Making: Towards tactile data representation, video analysis, sound signal processing, multi-modal data sensing and fusion; model-based reinforcement learning, imitation learning with imperfect supervision.

3. Science-Informed GDL: Embed the knowledge from Geometry, Quantum Mechanics, Computational Chemistry, Computational Biology, and other science domains into existing GML models, with the application to multi-body problem, molecular dynamics simulation, drug design, protein docking, antibody design, crystal material design, and so on.


PUBLICATIONS

2025

Peptide Design through Binding Interface Mimicry

Xiangzhe Kong, Rui Jiao, Haowei Lin,, Ruihan Guo, Wenbing Huang, Wei-Ying Ma, Zihua Wang, Yang Liu, and Jianzhu Ma

Nature Biomedical Engineering


Powder diffraction crystal structure determination using generative models

Qi Li, Rui Jiao, Liming Wu, Tiannian Zhu, Wenbing Huang, Shifeng Jin, Yang Liu, Hongming Weng, Xiaolong Chen

Nature Communications

Link


Zero-Shot Cyclic Peptide Design via Composable Geometric Constraints

Dapeng Jiang, Xiangzhe Kong, Jiaqi Han, Mingyu Li, Rui Jiao, Wenbing Huang, Stefano Ermon, Jianzhu Ma, Yang Liu

International Conference on Machine Learning (ICML)

Link


UniSim: A Unified Simulator for Time-Coarsened Dynamics of Biomolecules

Ziyang Yu , Wenbing Huang, Yang Liu

International Conference on Machine Learning (ICML)

Link


UniMoMo: Unified Generative Modeling of 3D Molecules for De Novo Binder Design

Xiangzhe Kong, Zishen Zhang, Ziting Zhang, Rui Jiao, Jianzhu Ma, Wenbing Huang, Kai Liu, Yang Liu

International Conference on Machine Learning (ICML)

Link


Large Language-Geometry Model: When LLM meets Equivariance

Zongzhao Li, Jiacheng Cen, Bing Su, Tingyang Xu, Yu Rong, Deli Zhao, Wenbing Huang

International Conference on Machine Learning (ICML)

Link


SE(3)-Equivariant Ternary Complex Prediction Towards Target Protein Degradation

Fanglei Xue, Meihan Zhang, Shuqi Li, Xinyu Gao, James A. Wohlschlegel, Wenbing Huang, Yi Yang, Weixian Deng

Nature Communications

Link


Size-Generalizable RNA Structure Evaluation by Exploring Hierarchical Geometries

Zongzhao Li , Jiacheng Cen, Wenbing Huang, Taifeng Wang, Le Song

The International Conference on Learning Representations (ICLR)

Link


Think Then React: Towards Unconstrained Action-to-Reaction Motion Generation

Wenhui Tan, Boyuan Li, Chuhao Jin, Wenbing Huang, Xiting Wang, Ruihua Song

The International Conference on Learning Representations (ICLR)

Link


DenoiseVAE: Learning Molecule-Adaptive Noise Distributions for Denoising-based 3D Molecular Pre-training

Yurou Liu, Jiahao Chen, Rui Jiao, Jiangmeng Li, Wenbing Huang, Bing Su

International Conference on Learning Representations (ICLR)

Link


A Survey of Geometric Graph Neural Networks: Data Structures, Models and Applications

Jiaqi Han, Jiacheng Cen, Liming Wu, Zongzhao Li, Xiangzhe Kong, Rui Jiao, Ziyang Yu, Tingyang Xu, Fandi Wu, Zihe Wang, Hongteng Xu, Zhewei Wei, Deli Zhao, Yang Liu, Yu Rong, Wenbing Huang

Frontiers of Computer Science

Link


2024

Robot Cognitive Learning by Considering Physical Properties

Fuchun Sun, Wenbing Huang , Yu Luo, Tianying Ji, Huaping Liu, He Liu, Jianwei Zhang

Engineering

Link


Learning Superconductivity from Ordered and Disordered Material Structures

Pin Chen, Luoxuan Peng, Rui Jiao, Qing Mo, Zhen WANG, Wenbing Huang, Yang Liu, Yutong Lu

Annual Conference on Neural Information Processing Systems Datasets and Benchmarks Track

Link


3D Structure Prediction of Atomic Systems with Flow-based Direct Preference Optimization

Rui Jiao, Xiangzhe Kong, Wenbing Huang, Yang Liu

Annual Conference on Neural Information Processing Systems (NeurIPS)

Link


Full-Atom Peptide Design with Geometric Latent Diffusion

Xiangzhe Kong, Yinjun Jia, Wenbing Huang, Yang Liu

Annual Conference on Neural Information Processing Systems (NeurIPS)

Link


Are High-Degree Representations Really Unnecessary in Equivariant Graph Neural Networks?

Jiacheng Cen, Anyi Li, Ning Lin, Yuxiang Ren, Zihe Wang, Wenbing Huang

Annual Conference on Neural Information Processing Systems (NeurIPS)

Link


Improving Equivariant Graph Neural Networks on Large Geometric Graphs via Virtual Nodes Learning

Yuelin Zhang, Jiacheng Cen, Jiaqi Han, Zhiqiang Zhang, Jun Zhou, Wenbing Huang

International Conference on Machine Learning (ICML)

Link


Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning

Xiangzhe Kong, Wenbing Huang, Yang Liu

International Conference on Machine Learning (ICML)

Link


Equivariant Diffusion for Crystal Structure Prediction

Peijia Lin, Pin Chen, Rui Jiao, Qing Mo, Cen Jianhuan, Wenbing Huang, Yang Liu, Dan Huang, Yutong Lu

International Conference on Machine Learning (ICML)

Link


EquiPocket: an E(3)-Equivariant Geometric Graph Neural Network for Ligand Binding Site Prediction

Yang zhang, Zhewei Wei, Ye Yuan, Chongxuan Li, Wenbing Huang

International Conference on Machine Learning (ICML), Oral

Link


Subequivariant Reinforcement Learning in 3D Multi-Object Physical Environments

Runfa Chen, Ling Wang, Yu Du, Fuchun Sun, Tianrui Xue, Jianwei Zhang, Wenbing Huang

International Conference on Machine Learning (ICML)

Link


Macro Graph Neural Networks for Online Billion-Scale Recommender Systems

Hao Chen, Yuanchen Bei, Qijie Shen, Yue Xu, Sheng Zhou, Wenbing Huang, Feiran Huang, Senzhang Wang, Xiao Huang

The Web Conference (WWW)

Link


Rigid Protein-Protein Docking via Equivariant Elliptic-Paraboloid Interface Prediction

Ziyang Yu, Wenbing Huang, Yang Liu

The International Conference on Learning Representations (ICLR)

Link


Space Group Constrained Crystal Generation

Rui Jiao, Wenbing Huang, Yu Liu, Deli Zhao, Yang Liu

The International Conference on Learning Representations (ICLR)

Link


2023

MPerformer: An SE(3) Transformer-based Molecular Perceptron

Fanmeng Wang, Hongteng Xu, Xi Chen, Shuqi Lu, Yuqing Deng, Wenbing Huang

ACM International Conference on Information and Knowledge Management (CIKM)


Equivariant Spatio-Temporal Attentive Graph Networks to Simulate Physical Dynamics

Liming Wu, Zhichao Hou, Jirui Yuan, Yu Rong, Wenbing Huang

Annual Conference on Neural Information Processing Systems (NeurIPS)

Link


Crystal Structure Prediction by Joint Equivariant Diffusion

Rui Jiao, Wenbing Huang, Peijia Lin, Jiaqi Han, Pin Chen, Yutong Lu, Yang Liu

Annual Conference on Neural Information Processing Systems (NeurIPS)

Link


Structure-Aware DropEdge Towards Deep Graph Convolutional Networks

Jiaqi Han, Wenbing Huang, Yu Rong, Tingyang Xu, Fuchun Sun, Junzhou Huang

IEEE Transactions on Neural Networks and Learning Systems (TNNLS)

Link


End-to-End Full-Atom Antibody Design

Xiangzhe Kong, Wenbing Huang, Yang Liu

International Conference on Machine Learning (ICML)

Link


Subequivariant Graph Reinforcement Learning in 3D Environments

Runfa Chen, Jiaqi Han, Fuchun Sun, Wenbing Huang

International Conference on Machine Learning (ICML), Oral

Link


Compacting Binary Neural Networks by Sparse Kernel Selection

Yikai Wang, Wenbing Huang, Yinpeng Dong, Fuchun Sun, Anbang Yao

IEEE Conference on Computer Vision and Pattern Recognition (CVPR)

Link


Conditional Antibody Design as 3D Equivariant Graph Translation

Xiangzhe Kong, Wenbing Huang, Yang Liu

The International Conference on Learning Representations (ICLR) , Outstanding Paper Honorable Mention

Link


Planning Assembly Sequence with Graph Transformer

Lin Ma, Jiangtao Gong, Hao Xu, Hao CHEN, Hao Zhao, Wenbing Huang, Guyue Zhou

IEEE International Conference on Robotics and Automation (ICRA)


Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs

Rui Jiao, Jiaqi Han, Wenbing Huang, Yu Rong, Yang Liu

AAAI Conference on Artificial Intelligence (AAAI)

Link


2022

Geometrically Equivariant Graph Neural Networks: A Survey

Jiaqi Han, Yu Rong, Tingyang Xu, Wenbing Huang

arXiv

Link


Learning Physical Dynamics with Subequivariant Graph Neural Networks

Jiaqi Han, Wenbing Huang, Hengbo Ma, Jiachen Li, Joshua B. Tenenbaum, Chuang Gan

Annual Conference on Neural Information Processing Systems (NeurIPS), Spotlight

Link


Equivariant Graph Hierarchy-based Neural Networks

Jiaqi Han, Wenbing Huang, Tingyang Xu, Yu Rong

Annual Conference on Neural Information Processing Systems (NeurIPS), Spotlight

Link


Molecule Generation by Principal Subgraph Mining and Assembling

Xiangzhe Kong, Wenbing Huang, Zhixing Tan, Yang Liu

Annual Conference on Neural Information Processing Systems (NeurIPS), Oral

Link


When to Update Your Model: Constrained Model-based Reinforcement Learning

Tianying Ji, Yu Luo, Fuchun Sun, Mingxuan Jing, Fengxiang He, Wenbing Huang

Annual Conference on Neural Information Processing Systems (NeurIPS), Spotlight

Link


SNAKE: Shape-aware Neural 3D Keypoint Field

Chengliang Zhong, Peixing You, Xiaoxue Chen, Hao Zhao, Fuchun Sun, Guyue Zhou, Xiaodong Mu, Chuang Gan, Wenbing Huang

Annual Conference on Neural Information Processing Systems (NeurIPS), Spotlight

Link


Benefits of Permutation-Equivariance in Auction Mechanisms

Tian Qin, Fengxiang He, Dingfeng Shi, Wenbing Huang, Dacheng Tao

Annual Conference on Neural Information Processing Systems (NeurIPS)

Link


Learning Active Camera for Multi-Object Navigation

Peihao Chen, Dongyu Ji, Kunyang Lin, Weiwen Hu, Wenbing Huang, Thomas H. Li, Mingkui Tan, Chuang Gan

Annual Conference on Neural Information Processing Systems (NeurIPS), Spotlight

Link


Equivariant Graph Mechanics Networks with Constraints

Wenbing Huang, Jiaqi Han, Yu Rong, Tingyang Xu, Fuchun Sun, and Junzhou Huang

The International Conference on Learning Representations (ICLR)

Link


Sound Adversarial Audio-Visual Navigation

Yinfeng Yu, Wenbing Huang, Fuchun Sun, Changan Chen, Yikai Wang, and Xiaohong Liu

The International Conference on Learning Representations (ICLR)

Link


Learning Representations by Graphical Mutual Information Estimation and Maximization

Zhen Peng, Minnan Luo, Wenbing Huang, Jundong Li, Qinghua Zheng, Fuchun Sun, and Junzhou Huang

IEEE Transactions on Pattern Analysis and Machine Intelligence (TPAMI)

Link


Bridged Transformer for Vision and Point Cloud 3D Object Detection

Yikai Wang, TengQi Ye, Lele Cao, Wenbing Huang, Fuchun Sun, Fengxiang He, and Dacheng Tao

IEEE Conference on Computer Vision and Pattern Recognition (CVPR)

Link


Multimodal Token Fusion for Vision Transformers

Yikai Wang, Xinghao Chen, Lele Cao, Wenbing Huang, Fuchun Sun, and Yunhe Wang

IEEE Conference on Computer Vision and Pattern Recognition (CVPR)

Link


Adversarial Attack Framework on Graph Embedding Models with Limited Knowledge

Heng Chang, Yu Rong, Tingyang Xu, Wenbing Huang, Honglei Zhang, Peng Cui, Xin Wang, and Wenwu Zhu

IEEE Transactions on Knowledge and Data Engineering (TKDE)


Cross-Dependent Graph Neural Networks for Molecular Property Prediction

Hehuan Ma, Yatao Bian, Yu Rong, Wenbing Huang, Tingyang Xu, Weiyang Xie, Geyan Ye, and Junzhou Huang

Bioinformatics


2021

Adversarial Option-Aware Hierarchical Imitation Learning

Mingxuan Jing, Wenbing Huang, Fuchun Sun, Xiaojian Ma, Tao Kong, Chuang Gan, and Lei Li

International Conference on Machine Learning (ICML)

Link


Elastic Tactile Simulation Towards Tactile-Visual Perception

Yikai Wang, Wenbing Huang, Fuchun Sun, Bin Fang, and Chang Li

ACM International Conference on Multimedia (ACMMM)

Link


Knowledge Representation Learning with Contrastive Completion Coding

Bo Ouyang, Wenbing Huang, Runfa Chen, Zhixing Tan, Yang Liu, Maosong Sun, and Jihong Zhu

The 2021 Conference on Empirical Methods in Natural Language Processing (EMNLP) (Findings)


Graph Convolutional Module for Temporal Action Localization in Videos

Runhao Zeng, Wenbing Huang, Mingkui Tan, Yu Rong, Peilin Zhao, Junzhou Huang, Chuang Gan

IEEE Transactions on Pattern Analysis and Machine Intelligence (TPAMI)

Link


2020

Tackling Over-Smoothing for General Graph Convolutional Networks

Wenbing Huang, Yu Rong, Tingyang Xu, Fuchun Sun, Junzhou Huang

arXiv

Link


DropEdge: Towards Deep Graph Convolutional Networks on Node Classification

Yu Rong, Wenbing Huang, Tingyang Xu, and Junzhou Huang

The International Conference on Learning Representations (ICLR)

Link


Self-Supervised Graph Transformer on Large-Scale Molecular Data

Yu Rong, Yatao Bian, Tingyang Xu, Weiyang Xie, Ying Wei, Wenbing Huang, and Junzhou Huang

Annual Conference on Neural Information Processing Systems (NeurIPS)

Link


Deep Multimodal Fusion by Channel Exchanging

Yikai Wang, Wenbing Huang, Fuchun Sun, Tingyang Xu, Yu Rong, and Junzhou Huang

Annual Conference on Neural Information Processing Systems (NeurIPS)

Link


Reusing Discriminators for Encoding: Towards Unsupervised Image-to-Image Translation

Runfa Chen, Wenbing Huang, Binghui Huang, Fuchun Sun, and Bin Fang

IEEE Conference on Computer Vision and Pattern Recognition (CVPR)

Link


Dense Regression Network for Video Grounding

Runhao Zeng, Haoming Xu, Wenbing Huang, Peihao Chen, Mingkui Tan, and Chuang Gan

IEEE Conference on Computer Vision and Pattern Recognition (CVPR)

Link


Reinforcement Learning from Imperfect Demonstrations under Soft Expert Guidance

Mingxuan Jing, Xiaojian Ma, Wenbing Huang, Fuchun Sun, Chao Yang, Bin Fang, and Huaping Liu

AAAI Conference on Artificial Intelligence (AAAI), Spotlight

Link


Rumor Detection on Social Media with Bi-Directional Graph Convolutional Networks

Tian Bian, Xi Xiao, Tingyang Xu, Peilin Zhao, Wenbing Huang, Yu Rong, and Junzhou Huang

AAAI Conference on Artificial Intelligence (AAAI)

Link


The General Black-box Attack Method for Graph Neural Networks

Heng Chang, Yu Rong, Tingyang Xu, Wenbing Huang, Honglei Zhang, Peng Cui, Wenwu Zhu, and Junzhou Huang

AAAI Conference on Artificial Intelligence (AAAI)


Graph Representation Learning via Graphical Mutual Information Maximization

Zhen Peng, Wenbing Huang, Minnan Luo, Qinghua Zheng, Yu Rong, Tingyang Xu, and Junzhou Huang

The Web Conference (WWW)

Link


2019

Toward efficient action recognition: Principal backpropagation for training two-stream networks

Wenbing Huang, Lijie Fan, Mehrtash Harandi, Lin Ma, Huaping Liu, Wei Liu, and Chuang Gan

IEEE Transactions on Image Processing (TIP)


Imitation learning from observations by minimizing inverse dynamics disagreement

Chao Yang, Xiaojian Ma, Wenbing Huang, Fuchun Sun, Huaping Liu, Junzhou Huang, and Chuang Gan

Annual Conference on Neural Information Processing Systems (NeurIPS), Spotlight

Link


Neural collaborative subspace clustering

Tong Zhang, Pan Ji, Mehrtash Harandi, Wenbing Huang, and Hongdong Li

International Conference on Machine Learning (ICML)

Link


Graph convolutional networks for temporal action localization

Runhao Zeng, Wenbing Huang, Mingkui Tan, Yu Rong, Peilin Zhao, Junzhou Huang, and Chuang Gan

International Conference on Computer Vision (ICCV)

Link


A fast and accurate one-stage approach to visual grounding

Zhengyuan Yang, Boqing Gong, Liwei Wang, Wenbing Huang, Dong Yu, and Jiebo Luo

International Conference on Computer Vision (ICCV), Oral


Controllable image-to-video translation: A case study on facial expression generation

Lijie Fan, Wenbing Huang, Chuang Gan, Junzhou Huang, and Boqing Gong

AAAI Conference on Artificial Intelligence (AAAI), Oral

Link


Task transfer by preference-based cost learning

Mingxuan Jing, Xiaojian Ma, Wenbing Huang, Fuchun Sun, and Huaping Liu

AAAI Conference on Artificial Intelligence (AAAI)

Link


Beyond rnns: Positional self-attention with co-attention for video question answering

Xiangpeng Li, Jingkuan Song, Lianli Gao, Xianglong Liu, Wenbing Huang, Xiangnan He, and Chuang Gan

AAAI Conference on Artificial Intelligence (AAAI)


Semi-supervised graph classification: A hierarchical graph perspective

Jia Li, Yu Rong, Hong Cheng, Helen Meng, Wenbing Huang, and Junzhou Huang

The Web Conference (WWW)

Link


2018

Adaptive sampling towards fast graph representation learning

Wenbing Huang, Tong Zhang, Yu Rong, and Junzhou Huang

Annual Conference on Neural Information Processing Systems (NeurIPS)

Link


Weakly supervised dense event captioning in videos

Xuguang Duan, Wenbing Huang, Chuang Gan, Jingdong Wang, Wenwu Zhu, and Junzhou Huang

Annual Conference on Neural Information Processing Systems (NeurIPS)

Link


End-to-end learning of motion representation for video understanding

Lijie Fan, Wenbing Huang, Chuang Gan, Stefano Ermon, and Boqing Gong

IEEE Conference on Computer Vision and Pattern Recognition (CVPR), Spotlight

Link


LDS-FCM: A linear dynamical system based fuzzy C-means method for tactile recognition

Chunfang Liu, Wenbing Huang, Fuchun Sun, Minnan Luo, and Chuanqi Tan

IEEE Transactions on Fuzzy Systems


2017

Efficient Optimization for Linear Dynamical Systems with Applications to Clustering and Dictionary Learning

Wenbing Huang, Mehrtash Harandi, Tong Zhang, Lijie Fan, Fuchun Sun, and Junzhou Huang

Annual Conference on Neural Information Processing Systems (NeurIPS)

Link


2016

Sparse Coding and Dictionary Learning with Linear Dynamical Systems

Wenbing Huang, Fuchun Sun, Lele Cao, Deli zhao, Huaping Liu, and Mehrtash Harandi

IEEE Conference on Computer Vision and Pattern Recognition (CVPR), Oral

Link


Learning Stable Linear Dynamical Systems using the Weighted Least Square Method

Wenbing Huang, Lele Cao, Fuchun Sun, Deli zhao, Huaping Liu, and Shanshan Yu

International Joint Conference on Artificial Intelligence (IJCAI)

Link


2015

Scalable Gaussian Process Regression using Deep Neural Networks

Wenbing Huang, Deli Zhao, Fuchun Sun, Huaping Liu, and Edward Chang

International Joint Conference on Artificial Intelligence (IJCAI)

Link

HONORS AND AWARDS

2023 Tencent Rhino Bird Research Excellence Award

2023 Beijing Nova Program

2023 ICLR Outstanding Paper Honorable Mention

2022 NeurIPS Open Catalyst Challenge Champion

2021 Tencent Rhino Bird Research Excellence Award

2021 NeurIPS Outstanding Reviewer Award (Top 8%)

2021 AAAI Top SPC award (Top 25%)

2020 The third place of IROS Challenge OCRTOC

2020 MSRA STAR Track

2020 Tencent Rhino Bird Researcher

2019 Tsinghua Shuimu Scholar

2019 Tencent Excellent Operation Award

SERVICES

Area Chair: NeurIPS 2024, ICLR 2025, ICML 2025

Action Editor: TMLR

SPC Member: AAAI 2021-2022, IJCAI 2021

Reviewer for IEEE TPAMI, IEEE TIP, IEEE TMM, IEEE TNNLS, IEEE TKDE

CONTACT

Email:hwenbing@126.com

Website: