46 citations · 107 across the 25 of their papers we have counts for
27 papers
DC-Flow: Target-Conditioned Cyclic Peptide Design via Delayed-Coupling Flow Matching
Yitian Wang, Minjie Cheng, Yaning Cui +3
Target-conditioned cyclic peptide design requires coordinating interfacial side chains with macrocyclic closure. Existing end-to-end generators concurrently update geometric and ch…
Consistent Feature Transport for Image Relighting
Bohan Zhang, Huanwei Liang, Yuhan He +5
Image relighting modifies illumination while preserving non-lighting content such as identity and geometry. Existing diffusion-based methods often suffer from unstable illumination…
GDPO: Mitigating Multi-Reward Conflicts via Group-Dynamic reward-Decoupled Policy Optimization
Haotian Liu, Yihao Liu, Jingwei Ni +11
As LLMs advance, post-training reinforcement learning (RL) increasingly relies on multi-dimensional rewards to cultivate comprehensive capabilities. This shift demands new algorith…
MuCO: Generative Peptide Cyclization Empowered by Multi-stage Conformation Optimization
Yitian Wang, Fanmeng Wang, Angxiao Yue +3
Modeling peptide cyclization is critical for the virtual screening of candidate peptides with desirable physical and pharmaceutical properties. This task is challenging because a c…
Self-Paced and Self-Corrective Masked Prediction for Movie Trailer Generation
Sidan Zhu, Hongteng Xu, Dixin Luo
As a challenging video editing task, movie trailer generation involves selecting and reorganizing movie shots to create engaging trailers. Currently, most existing automatic traile…
A Conformation-Centric Generative Foundation Model for Linear Polymer Modeling and Design
Fanmeng Wang, Ruochao Wang, Shan Mei +5
Linear polymers, macromolecules formed from monomers covalently bonded into continuous chains, underpin countless technologies and are indispensable to modern life. While deep lear…
Efficient Video Face Enhancement with Enhanced Spatial-Temporal Consistency
Yutong Wang, Jiajie Teng, Jiajiong Cao +4
As a very common type of video, face videos often appear in movies, talk shows, live broadcasts, and other scenes. Real-world online videos are often plagued by degradations such a…
An Inverse Partial Optimal Transport Framework for Music-guided Movie Trailer Generation
Yutong Wang, Sidan Zhu, Hongteng Xu +1
Trailer generation is a challenging video clipping task that aims to select highlighting shots from long videos like movies and re-organize them in an attractive way. In this study…
MMPolymer: A Multimodal Multitask Pretraining Framework for Polymer Property Prediction
Fanmeng Wang, Wentao Guo, Minjie Cheng +3
Polymers are high-molecular-weight compounds constructed by the covalent bonding of numerous identical or similar monomers so that their 3D structures are complex yet exhibit unign…
Revisiting Counterfactual Regression through the Lens of Gromov-Wasserstein Information Bottleneck
Hao Yang, Zexu Sun, Hongteng Xu +1
As a promising individualized treatment effect (ITE) estimation method, counterfactual regression (CFR) maps individuals' covariates to a latent space and predicts their counterfac…
Bridging The Gap between Low-rank and Orthogonal Adaptation via Householder Reflection Adaptation
Shen Yuan, Haotian Liu, Hongteng Xu
While following different technical routes, both low-rank and orthogonal adaptation techniques can efficiently adapt large-scale pre-training models in specific tasks or domains ba…
Generalizable Face Landmarking Guided by Conditional Face Warping
Jiayi Liang, Haotian Liu, Hongteng Xu +1
As a significant step for human face modeling, editing, and generation, face landmarking aims at extracting facial keypoints from images. A generalizable face landmarker is require…
To Search or to Recommend: Predicting Open-App Motivation with Neural Hawkes Process
Zhongxiang Sun, Zihua Si, Xiao Zhang +4
Incorporating Search and Recommendation (S&R) services within a singular application is prevalent in online platforms, leading to a new task termed open-app motivation prediction,…
A Survey of Geometric Graph Neural Networks: Data Structures, Models and Applications
Jiaqi Han, Jiacheng Cen, Liming Wu +13
Geometric graphs are a special kind of graph with geometric features, which are vital to model many scientific problems. Unlike generic graphs, geometric graphs often exhibit physi…
Sliceformer: Make Multi-head Attention as Simple as Sorting in Discriminative Tasks
Shen Yuan, Hongteng Xu
As one of the most popular neural network modules, Transformer plays a central role in many fundamental deep learning models, e.g., the ViT in computer vision and the BERT and GPT…
Robust Graph Matching Using An Unbalanced Hierarchical Optimal Transport Framework
Haoran Cheng, Dixin Luo, Hongteng Xu
Graph matching is one of the most significant graph analytic tasks, which aims to find the node correspondence across different graphs. Most existing graph matching approaches main…
A Quasi-Wasserstein Loss for Learning Graph Neural Networks
Minjie Cheng, Hongteng Xu
When learning graph neural networks (GNNs) in node-level prediction tasks, most existing loss functions are applied for each node independently, even if node embeddings and their l…
Decentralized Entropic Optimal Transport for Distributed Distribution Comparison
Xiangfeng Wang, Hongteng Xu, Moyi Yang
Distributed distribution comparison aims to measure the distance between the distributions whose data are scattered across different agents in a distributed system and cannot even…
Regularized Optimal Transport Layers for Generalized Global Pooling Operations
Hongteng Xu, Minjie Cheng
Global pooling is one of the most significant operations in many machine learning models and tasks, which works for information fusion and structured data (like sets and graphs) re…
ImDrug: A Benchmark for Deep Imbalanced Learning in AI-aided Drug Discovery
Lanqing Li, Liang Zeng, Ziqi Gao +11
The last decade has witnessed a prosperous development of computational methods and dataset curation for AI-aided drug discovery (AIDD). However, real-world pharmaceutical datasets…
Predicting Protein-Ligand Binding Affinity via Joint Global-Local Interaction Modeling
Yang Zhang, Gengmo Zhou, Zhewei Wei +1
The prediction of protein-ligand binding affinity is of great significance for discovering lead compounds in drug research. Facing this challenging task, most existing prediction m…
Explainable Legal Case Matching via Inverse Optimal Transport-based Rationale Extraction
Weijie Yu, Zhongxiang Sun, Jun Xu +4
As an essential operation of legal retrieval, legal case matching plays a central role in intelligent legal systems. This task has a high demand on the explainability of matching r…
Hilbert Curve Projection Distance for Distribution Comparison
Tao Li, Cheng Meng, Hongteng Xu +1
Distribution comparison plays a central role in many machine learning tasks like data classification and generative modeling. In this study, we propose a novel metric, called Hilbe…
Efficient Approximation of Gromov-Wasserstein Distance Using Importance Sparsification
Mengyu Li, Jun Yu, Hongteng Xu +1
As a valid metric of metric-measure spaces, Gromov-Wasserstein (GW) distance has shown the potential for matching problems of structured data like point clouds and graphs. However,…