- Unbalanced Diffusion Schrödinger BridgearXiv Preprint arXiv:2306.09099, 2023ICML Workshop on New Frontiers for Learning, Control, and Dynamical Systems, 2023.
- Nature MethodsResearch BriefingLearning Single-Cell Perturbation Responses using Neural Optimal TransportNature Methods, 2023NeurIPS Workshop on Optimal Transport and Machine Learning (OTML), 2021.
- UAIAligned Diffusion Schrödinger BridgesConference on Uncertainty in Artificial Intelligence (UAI), 2023ICML Workshop on New Frontiers for Learning, Control, and Dynamical Systems, 2023.
- Neural Unbalanced Optimal Transport via Cycle-Consistent Semi-CouplingsarXiv Preprint arXiv:2209.15621, 2023Spotlight Talk at NeurIPS Meaningful Representations of Life Workshop, 2022.
- AISTATSOralThe Schrödinger Bridge between Gaussian Measures has a Closed FormInternational Conference on Artificial Intelligence and Statistics (AISTATS), 2023ICML Workshop on Continuous Time Methods for Machine Learning, 2022.Oral Presentation at AISTATS (Top 1.9% of Submitted Papers).
- NeurIPSSupervised Training of Conditional Monge MapsAdvances in Neural Information Processing Systems (NeurIPS), 2022ICML Workshop on Interpretable Machine Learning in Healthcare (IMLH), 2022.
- AISTATSBest Paper AwardProximal Optimal Transport Modeling of Population DynamicsInternational Conference on Artificial Intelligence and Statistics (AISTATS), 2022Best Paper Award and Contributed Talk at ICML Time Series Workshop, 2021.
- ICLRIndependent SE (3)-Equivariant Models for End-to-End Rigid Protein DockingInternational Conference on Learning Representations (ICLR), 2022Contributed Talk at ELLIS Machine Learning for Molecule Discovery Workshop, 2021.Spotlight Talk at ICLR and Ranked Top 15 among 3326 Submissions (Top 0.4%).
- Featured CoverMachine intelligence for chemical reaction spaceWiley Interdisciplinary Reviews: Computational Molecular Science, 2022Selected as Featured Cover of Volume 12, Issue 5.
- Optimal Transport Tools (OTT): A JAX Toolbox for all things WassersteinarXiv Preprint arXiv:2201.12324, 2022
- Invariant Causal Mechanisms through Distribution MatchingarXiv Preprint arXiv:2206.11646, 2022
- NeurIPSMulti-Scale Representation Learning on ProteinsAdvances in Neural Information Processing Systems (NeurIPS), 2021Spotlight Talk at ICML Computational Biology Workshop, 2021.
- NeurIPSBest Paper AwardLearning Graph Models for Retrosynthesis PredictionAdvances in Neural Information Processing Systems (NeurIPS), 2021Best Paper Award and Contributed Talk at ICML Workshop on Graph Representation Learning and Beyond, 2019.
- COSIFER: a Python package for the consensus inference of molecular interaction networksBioinformatics, 2020
- ICMLBest Paper AwardLearning Generative Models across Incomparable SpacesInternational Conference on Machine Learning (ICML), 2019Best Paper Award and Contributed Talk at NeurIPS Workshop on Relational Representation Learning, 2018.
- Exponential Growth of Glioblastoma In Vivo Driven by Rapidly Dividing and Outwardly Migrating Cancer Stem CellsbioRxiv Preprint bioRxiv:10.1101/723601v1, 2019
- Backbone circularization of Bacillus subtilis family 11 xylanase increases its thermostability and its resistance against aggregationMolecular BioSystems, 2015