Riemann: Learning Riemannian Submanifolds from Riemannian DataInternational Conference on Artificial Intelligence and Statistics (AISTATS), 2025 |
 Generative Enzyme Design Guided by Functionally Important Sites and Small-Molecule SubstratesInternational Conference on Machine Learning (ICML), 2024 |
 Kermut: Composite kernel regression for protein variant effectsbioRxiv (bioRxiv), 2024 |
 Interpreting Equivariant RepresentationsInternational Conference on Machine Learning (ICML), 2024 |
 Knowledge-augmented Graph Machine Learning for Drug Discovery: A Survey
from Precision to InterpretabilityACM Computing Surveys (ACM Comput. Surv.), 2023 |
 The geometry of hidden representations of large transformer modelsNeural Information Processing Systems (NeurIPS), 2023 |
 Linguistically inspired roadmap for building biologically reliable
protein language modelsNature Machine Intelligence (Nat. Mach. Intell.), 2022 |
