Cross-modality Matching and Prediction of Perturbation Responses with Labeled Gromov-Wasserstein Optimal Transport

Abstract

It is now possible to conduct large scale perturbation screens with complex readout modalities, such as different molecular profiles or high content cell images. While these open the way for systematic dissection of causal cell circuits, integrated such data across screens to maximize our ability to predict circuits poses substantial computational challenges, which have not been addressed. Here, we extend two Gromov-Wasserstein Optimal Transport methods to incorporate the perturbation label for cross-modality alignment. The obtained alignment is then employed to train a predictive model that estimates cellular responses to perturbations observed with only one measurement modality. We validate our method for the tasks of cross-modality alignment and cross-modality prediction in a recent multi-modal single-cell perturbation dataset. Our approach opens the way to unified causal models of cell biology.