3 papers
cs.LG2026
GLACIER: Rethinking Mass Spectrum Prediction as an Object Detection Problem
Rui-Xi Wang, Runzhong Wang, Connor W. Coley
Predicting tandem mass spectra (MS/MS) from molecular structures represents a central task in analytical chemistry with direct relevance to clinical metabolomics, systems biology,…
cs.CE2026
Cell-JEPA: Latent Representation Learning for Single-Cell Transcriptomics
Ali ElSheikh, Rui-Xi Wang, Weimin Wu +9
Single-cell foundation models learn by reconstructing masked gene expression, implicitly treating technical noise as signal. With dropout rates exceeding 90%, reconstruction object…
cs.LG2025
Neural Graph Matching Improves Retrieval Augmented Generation in Molecular Machine Learning
Runzhong Wang, Rui-Xi Wang, Mrunali Manjrekar +1
Molecular machine learning has gained popularity with the advancements of geometric deep learning. In parallel, retrieval-augmented generation has become a principled approach comm…