5 papers
Generic Vision and Cross-Attention for Reaction Yield Prediction
Qiwei Han, Chi Zhou
Traditional reaction yield prediction is constrained by 1D quantum descriptors that lack explicit spatial information. To address this gap, a dual-modal Vision Cross-Attention arch…
ChemFusion: A Multimodal Cross-Attention Network for Reaction Yield Prediction
Qiwei Han, Chi Zhou
Forecasting the outcomes of transition-metal-catalyzed reactions is notoriously complex due to the interplay of diverse physical and chemical variables. A persistent computational…
Multimodal Molecular Representation Learning with Graph Neural Networks, Deep & Cross Networks, and SMILES Embeddings
Qiwei Han, Chi Zhou, Ruobing Wang +1
Molecular property prediction often relies on isolated data modalities, where continuous 3D graph neural networks (GNNs) struggle to efficiently capture long-range topological depe…
MMCTOP: A Multimodal Textualization and Mixture-of-Experts Framework for Clinical Trial Outcome Prediction
Carolina AparÃcio, Qi Shi, Bo Wen +2
Addressing the challenge of multimodal data fusion in high-dimensional biomedical informatics, we propose MMCTOP, a MultiModal Clinical-Trial Outcome Prediction framework that inte…
C-PATH: Conversational Patient Assistance and Triage in Healthcare System
Qi Shi, Qiwei Han, Cláudia Soares
Navigating healthcare systems can be complex and overwhelming, creating barriers for patients seeking timely and appropriate medical attention. In this paper, we introduce C-PATH (…