Optimal Transport & Geometry
Developing efficient computational methods for optimal transport with applications to single-cell biology, trajectory inference, and generative modeling.
Optimal transport provides a principled mathematical framework for comparing probability distributions and understanding the geometry of data. Our group has contributed foundational tools to this area, including POT: Python Optimal Transport—one of the most widely used OT libraries—and theoretical advances in diffusion Earth Mover’s distance and Wasserstein Lagrangian flows.
We develop efficient computational methods for optimal transport on manifolds and graphs, with applications to single-cell biology, trajectory inference, and generative modeling. Our work on minibatch optimal transport for flow matching demonstrated how OT can improve the training of generative models by providing better couplings between source and target distributions.
Key Directions
- Computational Frameworks: Efficient algorithms for Wasserstein flows, geodesic Sinkhorn on manifolds, and transport on graphs
- Generative Modeling: Minibatch OT for flow matching, meta flow matching on the Wasserstein manifold
- Biological Applications: Trajectory inference, metric flow matching for smooth interpolations on data manifolds
- Graph Signal Processing: Diffusion EMD, unbalanced OT, and graph Fourier MMD for network data
Selected Publications
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Meta Flow Matching: Integrating Vector Fields on the Wasserstein Manifold
Lazar Atanackovic, Xi Zhang, Brandon Amos, Mathieu Blanchette, Leo J. Lee, Yoshua Bengio, Alexander Tong, Kirill Neklyudov
In ICLR 2025
May 2025
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Metric Flow Matching for Smooth Interpolations on the Data Manifold
Kacper Kapusniak, Peter Potaptchik, Teodora Reu, Leo Zhang, Alexander Tong, Michael Bronstein, Avishek Joey Bose, Francesco Di Giovanni
In NeurIPS 2024
December 2024
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A Computational Framework for Solving Wasserstein Lagrangian Flows
Kirill Neklyudov, Rob Brekelmans, Alexander Tong, Lazar Atanackovic, Qiang Liu, Alireza Makhzani
In ICML 2024
July 2024
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Improving and Generalizing Flow-Based Generative Models with Minibatch Optimal Transport
Alexander Tong, Nikolay Malkin, Guillaume Huguet, Yanlei Zhang, Jarrid Rector-Brooks, Kilian Fatras, Guy Wolf, Yoshua Bengio
In Transactions on Machine Learning Research (TMLR), 2024
May 2024
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Geodesic Sinkhorn for Fast and Accurate Optimal Transport on Manifolds
Guillaume Huguet, Alexander Tong, María Ramos Zapatero, Christpher J. Tape, Guy Wolf, Smita Krishnaswamy
In IEEE MLSP
September 2023
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Graph Fourier MMD for signals on data graphs
Sam Leone, Alexander Tong, Guillaume Huguet, Guy Wolf, Smita Krishnaswamy
In SAMPTA
July 2023
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Embedding Signals on Knowledge Graphs with Unbalanced Diffusion Earth Mover's Distance
Alexander Tong, Guillaume Huguet, Dennis Shung, Amine Natik, Manik Kuchroo, Guillaume Lajoie, Guy Wolf, Smita Krishnaswamy
In ICASSP
May 2022
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Diffusion Earth Mover's Distance and Distribution Embeddings
Alexander Tong, Guillaume Huguet, Amine Natik, Kincaid MacDonald, Manik Kuchroo, Ronald Coifman, Guy Wolf, Smita Krishnaswamy
In ICML. Also presented at LMRL Workshop @ NeurIPS 2020
July 2021
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POT: Python Optimal Transport
Remi Flamary, Nicolas Courty, Alexandre Gramfort, Mokhtar Z Alaya, Aurelie Boisbunon, Stanislas Chambon, Laetitia Chapel, Adrien Corenflos, Kilian Fatras, Nemo Fournier, Leo Gautheron, Nathalie T H Gayraud, Hicham Janati, Alain Rakotomamonjy, Ievgen Redko, Antoine Rolet, Antony Schutz, Vivien Seguy, Danica J Sutherland, Romain Tavenard, Alexander Tong, Titouan Vayer
In JMLR
June 2021
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Interpolating Optimal Transport Barycenters of Patient Manifolds
Alexander Tong, Smita Krishnaswamy
In ISMB
July 2020