189 citations · 267 across the 24 of their papers we have counts for
24 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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
Understanding vehicular routing behavior with location-based service data
Yanyan Xu, Riccardo Di Clemente, Marta C. Gonzalez
Properly extracting patterns of individual mobility with high resolution data sources such as the one extracted from smartphone applications offers important opportunities. Potenti…
Modeling Complex Mathematical Reasoning via Large Language Model based MathAgent
Haoran Liao, Qinyi Du, Shaohua Hu +4
Large language models (LLMs) face challenges in solving complex mathematical problems that require comprehensive capacities to parse the statements, associate domain knowledge, per…
Reconstructing human activities via coupling mobile phone data with location-based social networks
Le Huang, Fan Xia, Hui Chen +5
In the era of big data, the ubiquity of location-aware portable devices provides an unprecedented opportunity to understand inhabitants' behavior and their interactions with the bu…
Urban Dynamics Through the Lens of Human Mobility
Yanyan Xu, Luis E. Olmos, David Mateo +3
The urban spatial structure represents the distribution of public and private spaces in cities and how people move within them. While it usually evolves slowly, it can change fast…
Planning for Electric Vehicles Coupled with Urban Mobility
Yanyan Xu, Serdar Colak, Emre C. Kara +2
The rising adoption of plug-in electric vehicles (PEVs) leads to the alignment of their electricity and their mobility demands. Therefore, transportation and power infrastructures…
Human Mobility Prediction with Causal and Spatial-constrained Multi-task Network
Zongyuan Huang, Shengyuan Xu, Menghan Wang +3
Modeling human mobility helps to understand how people are accessing resources and physically contacting with each other in cities, and thus contributes to various applications suc…
SanMove: Next Location Recommendation via Self-Attention Network
Huifeng Li, Bin Wang, Sulei Zhu +1
Currently, next location recommendation plays a vital role in location-based social network applications and services. Although many methods have been proposed to solve this proble…
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…
Deconstructing laws of accessibility and facility distribution in cities
Yanyan Xu, Luis E. Olmos, Sofiane Abbar +1
The era of the automobile has seriously degraded the quality of urban life through costly travel and visible environmental effects. A new urban planning paradigm must be at the hea…
Socio-economic, built environment, and mobility conditions associated with crime: A study of multiple cities
Marco De Nadai, Yanyan Xu, Emmanuel Letouzé +2
Nowadays, 23% of the world population lives in multi-million cities. In these metropolises, criminal activity is much higher and violent than in either small cities or rural areas.…
Collective benefits in traffic during mega events via the use of information technologies
Yanyan Xu, Marta C. Gonzalez
Information technologies today can inform each of us about the best alternatives for shortest paths from origins to destinations, but they do not contain incentives or alternatives…