activity
20212026
most citedUAlign: Pushing the Limit of Template-free Retrosynthesis Prediction with Unsupervised SMILES Alignment

21 citations · 30 across the 14 of their papers we have counts for

collaborators

15 papers

cs.LG2026

MS-GPT: Rethinking MS/MS De Novo Structure Elucidation as Spectrum-Induced Posterior Querying of a Molecule-Language Model

Xin Zhao, Yumin Liu, Zhuo Li +5

Molecular structure elucidation from tandem mass spectra (MS/MS) is a central inverse problem in analytical chemistry. Most existing approaches to MS/MS identification remain tied…

cs.CV2026

3DCarGen: Scalable 3D Car Generation via 3D-consistent Multi-view Synthesis

Hongli Xiao, Youjian Zhang, Yaohui Jin +3

High-quality 3D vehicle assets are essential for autonomous driving simulation. Although multi-view diffusion-based paradigms enable controllable single-image reconstruction, they…

cs.AI2026

Transferable Human Mobility Network Reconstruction with neuroGravity

Jinming Yang, Shaoyu Huang, Zongyuan Huang +4

Accurate modeling of human mobility is critical for tackling urban planning and public health challenges. In undeveloped regions, the absence of comprehensive travel surveys necess…

cs.RO2026

R3DP: Real-Time 3D-Aware Policy for Embodied Manipulation

Yuhao Zhang, Wanxi Dong, Yue Shi +13

Embodied manipulation requires accurate 3D understanding of objects and their spatial relations to plan and execute contact-rich actions. While large-scale 3D vision models provide…

cs.CV2025

PASG: A Closed-Loop Framework for Automated Geometric Primitive Extraction and Semantic Anchoring in Robotic Manipulation

Zhihao Zhu, Yifan Zheng, Siyu Pan +2

The fragmentation between high-level task semantics and low-level geometric features remains a persistent challenge in robotic manipulation. While vision-language models (VLMs) hav…

cs.AI2025★ 1 cited

ChemActor: Enhancing Automated Extraction of Chemical Synthesis Actions with LLM-Generated Data

Yu Zhang, Ruijie Yu, Jidong Tian +5

With the increasing interest in robotic synthesis in the context of organic chemistry, the automated extraction of chemical procedures from literature is critical. However, this ta…

physics.chem-ph2025★ 1 cited

Large Language Models to Accelerate Organic Chemistry Synthesis

Yu Zhang, Yang Han, Shuai Chen +10

Chemical synthesis, as a foundational methodology in the creation of transformative molecules, exerts substantial influence across diverse sectors from life sciences to materials a…

cs.AI2025

Where to Go Next Day: Multi-scale Spatial-Temporal Decoupled Model for Mid-term Human Mobility Prediction

Zongyuan Huang, Weipeng Wang, Shaoyu Huang +3

Predicting individual mobility patterns is crucial across various applications. While current methods mainly focus on predicting the next location for personalized services like re…

cs.AI2024

TrajGEOS: Trajectory Graph Enhanced Orientation-based Sequential Network for Mobility Prediction

Zhaoping Hu, Zongyuan Huang, Jinming Yang +3

Human mobility studies how people move to access their needed resources and plays a significant role in urban planning and location-based services. As a paramount task of human mob…

cs.LG2024★ 1 cited

A General-Purpose Framework for Chemical Reaction Representation with Atomic Correspondence and Flexible Condition Adaptation

Kaipeng Zeng, Xianbin Liu, Yu Zhang +3

Motivation: Organic synthesis is fundamental to the chemical industry, particularly in domains such as pharmaceutical development. While artificial intelligence offers powerful too…

cs.AI2024★ 2 cited

Text-Augmented Multimodal LLMs for Chemical Reaction Condition Recommendation

Yu Zhang, Ruijie Yu, Kaipeng Zeng +5

Identifying reaction conditions that are broadly applicable across diverse substrates is a longstanding challenge in chemical and pharmaceutical research. While many methods are av…

physics.chem-ph2024★ 21 cited

UAlign: Pushing the Limit of Template-free Retrosynthesis Prediction with Unsupervised SMILES Alignment

Kaipeng Zeng, Bo yang, Xin Zhao +5

Motivation: Retrosynthesis planning poses a formidable challenge in the organic chemical industry. Single-step retrosynthesis prediction, a crucial step in the planning process, ha…

cs.CY2024

SA-LSPL:Sequence-Aware Long- and Short- Term Preference Learning for next POI recommendation

Bin Wang, Yan Zhang, Yan Ma +2

The next Point of Interest (POI) recommendation aims to recommend the next POI for users at a specific time. As users' check-in records can be viewed as a long sequence, methods ba…

cs.LG2023★ 1 cited

Swap-based Deep Reinforcement Learning for Facility Location Problems in Networks

Wenxuan Guo, Yanyan Xu, Yaohui Jin

Facility location problems on graphs are ubiquitous in real world and hold significant importance, yet their resolution is often impeded by NP-hardness. Recently, machine learning…

cs.LG2021★ 3 cited

PGNet: Personalized and Group Preferences Guided Network for Next Place Prediction

Huifeng Li, Bin Wang, Fan Xia +3

Predicting the next place to visit is a key in human mobility behavior modeling, which plays a significant role in various fields, such as epidemic control, urban planning, traffic…