Molecular machine learning (ML) underpins critical workflows in drug discovery, material science, and catalyst optimization by rapidly predicting molecular interactions and properties. For instance, ...

Abstract: Temporal graph learning aims to generate high-quality representations for graph-based tasks with dynamic information, which has recently garnered increasing attention. In contrast to static ...

To this end, we propose a Knowledge-guided Event-relation Graph Learning Network (KEGLN) for patient similarity calculation. Specifically, after event extraction, we first construct element-relation ...

The ability to anticipate what comes next has long been a competitive advantage -- one that's increasingly within reach for developers and organizations alike, thanks to modern cloud-based machine ...

Department of Chemical and Biological Engineering, University of Wisconsin, Madison, Wisconsin 53706, United States Department of Materials Science and Engineering, University of Wisconsin, Madison, ...

Department of Chemistry and Research Institute for Natural Science, Korea University, Seoul 02841, Korea ...