Teng Zhou

SpectralMol: Spectral Graph Bisection Achieves Universal Molecular Fragment Decomposition for Drug-Like Molecule Generation

Abstract Generating valid, diverse, and drug-like molecules remains a central challenge in computational drug discovery. A key bottleneck for fragment-based generative models is decomposition coverage: existing junction-tree methods fail on bridged bicyclic and spiro ring systems...

CausalSTKT: Disentangled Spatiotemporal Heterogeneous Graph Learning for Robust Knowledge Tracing Under Distribution Shifts

Knowledge tracing supports adaptive intelligent tutoring systems by estimating learners’ evolving knowledge states from sequential interactions. However, existing models often rely on dataset-specific correlations and may suffer substantial performance degradation under distribut...