Linearized Optimal Transport pyLOT Library: A Toolkit for Machine Learning on Point Clouds

The pyLOT library offers a Python implementation of linearized optimal transport (LOT) techniques and methods to use in downstream tasks. The pipeline embeds probability distributions into a Hilbert space via the Optimal Transport maps from a fixed reference distribution, and this linearization allows downstream tasks to be completed using off the shelf (linear) machine learning algorithms. We provide a case study of performing ML on 3D scans of lemur teeth, where the original questions of classification, clustering, dimension reduction, and data generation reduce to simple linear operations performed on the LOT embedded representations.

Using Linearized Optimal Transport to Predict the Evolution of Stochastic Particle Systems

We develop an algorithm to approximate the time evolution of a probability measure without explicitly learning an operator that governs the evolution. A particular application of interest is discrete measures $\mu_t^N$ that arise from particle systems. In many such situations, the individual particles move chaotically on short time scales, making it difficult to learn the dynamics of a governing operator, but the bulk distribution $\mu_t^N$ approximates an absolutely continuous measure $\mu_t$ that evolves ``smoothly.'' If $\mu_t$ is known on some time interval, then linearized optimal transport theory provides an Euler-like scheme for approximating the evolution of $\mu_t$ using its ``tangent vector field'' (represented as a time-dependent vector field on $\mathbb R^d$), which can be computed as a limit of optimal transport maps. We propose an analog of this Euler approximation to predict the evolution of the discrete measure $\mu_t^N$ (without knowing $\mu_t$). To approximate the analogous tangent vector field, we use a finite difference over a time step that sits between the two time scales of the system -- long enough for the large-$N$ evolution ($\mu_t$) to emerge but short enough to satisfactorily approximate the derivative object used in the Euler scheme. By allowing the limiting behavior to emerge, the optimal transport maps closely approximate the vector field describing the bulk distribution's smooth evolution instead of the individual particles' more chaotic movements. We demonstrate the efficacy of this approach with two illustrative examples, Gaussian diffusion and a cell chemotaxis model, and show that our method succeeds in predicting the bulk behavior over relatively large steps.