9 papers
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…
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…
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…
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…
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…
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…