NAAug 3, 2024
Using Linearized Optimal Transport to Predict the Evolution of Stochastic Particle SystemsNicholas Karris, Evangelos A. Nikitopoulos, Ioannis G. Kevrekidis et al.
We develop an Euler-type method to predict the evolution of a time-dependent probability measure without explicitly learning an operator that governs its evolution. We use linearized optimal transport theory to prove that the measure-valued analog of Euler's method is first-order accurate when the measure evolves ``smoothly.'' In applications of interest, however, the measure is an empirical distribution of a system of stochastic particles whose behavior is only accessible through an agent-based micro-scale simulation. In such cases, this empirical measure does not evolve smoothly because the individual particles move chaotically on short time scales. However, we can still perform our Euler-type method, and when the particles' collective distribution approximates a measure that \emph{does} evolve smoothly, we observe that the algorithm still accurately predicts this collective behavior over relatively large Euler steps, thus reducing the number of micro-scale steps required to step forward in time. In this way, our algorithm provides a ``macro-scale timestepper'' that requires less micro-scale data to still maintain accuracy, which we demonstrate with three illustrative examples: a biological agent-based model, a model of a PDE, and a model of Langevin dynamics.
CVMar 10
Unbalanced Optimal Transport Dictionary Learning for Unsupervised Hyperspectral Image ClusteringJoshua Lentz, Nicholas Karris, Alex Cloninger et al.
Hyperspectral images capture vast amounts of high-dimensional spectral information about a scene, making labeling an intensive task that is resistant to out-of-the-box statistical methods. Unsupervised learning of clusters allows for automated segmentation of the scene, enabling a more rapid understanding of the image. Partitioning the spectral information contained within the data via dictionary learning in Wasserstein space has proven an effective method for unsupervised clustering. However, this approach requires balancing the spectral profiles of the data, blurring the classes, and sacrificing robustness to outliers and noise. In this paper, we suggest improving this approach by utilizing unbalanced Wasserstein barycenters to learn a lower-dimensional representation of the underlying data. The deployment of spectral clustering on the learned representation results in an effective approach for the unsupervised learning of labels.
MLFeb 5, 2025
Linearized Optimal Transport pyLOT Library: A Toolkit for Machine Learning on Point CloudsJun Linwu, Varun Khurana, Nicholas Karris et al.
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.
CVNov 16, 2025
Which Way from B to A: The role of embedding geometry in image interpolation for Stable DiffusionNicholas Karris, Luke Durell, Javier Flores et al.
It can be shown that Stable Diffusion has a permutation-invariance property with respect to the rows of Contrastive Language-Image Pretraining (CLIP) embedding matrices. This inspired the novel observation that these embeddings can naturally be interpreted as point clouds in a Wasserstein space rather than as matrices in a Euclidean space. This perspective opens up new possibilities for understanding the geometry of embedding space. For example, when interpolating between embeddings of two distinct prompts, we propose reframing the interpolation problem as an optimal transport problem. By solving this optimal transport problem, we compute a shortest path (or geodesic) between embeddings that captures a more natural and geometrically smooth transition through the embedding space. This results in smoother and more coherent intermediate (interpolated) images when rendered by the Stable Diffusion generative model. We conduct experiments to investigate this effect, comparing the quality of interpolated images produced using optimal transport to those generated by other standard interpolation methods. The novel optimal transport--based approach presented indeed gives smoother image interpolations, suggesting that viewing the embeddings as point clouds (rather than as matrices) better reflects and leverages the geometry of the embedding space.