189 citations · 267 across the 24 of their papers we have counts for
5 papers · 1 filter
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…
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…
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…
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…
Enhancing Unsupervised Anomaly Detection with Score-Guided Network
Zongyuan Huang, Baohua Zhang, Guoqiang Hu +3
Anomaly detection plays a crucial role in various real-world applications, including healthcare and finance systems. Owing to the limited number of anomaly labels in these complex…