Scalable unsupervised alignment of general metric and non-metric structures
Fuente:
arXiv
Saved in:
| Main Authors: | , , , , |
|---|---|
| Format: | Preprint |
| Published: |
2024
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1866914841624576000 |
|---|---|
| author | Vedula, Sanketh Maiorca, Valentino Basile, Lorenzo Locatello, Francesco Bronstein, Alex |
| author_facet | Vedula, Sanketh Maiorca, Valentino Basile, Lorenzo Locatello, Francesco Bronstein, Alex |
| contents | Aligning data from different domains is a fundamental problem in machine learning with broad applications across very different areas, most notably aligning experimental readouts in single-cell multiomics. Mathematically, this problem can be formulated as the minimization of disagreement of pair-wise quantities such as distances and is related to the Gromov-Hausdorff and Gromov-Wasserstein distances. Computationally, it is a quadratic assignment problem (QAP) that is known to be NP-hard. Prior works attempted to solve the QAP directly with entropic or low-rank regularization on the permutation, which is computationally tractable only for modestly-sized inputs, and encode only limited inductive bias related to the domains being aligned. We consider the alignment of metric structures formulated as a discrete Gromov-Wasserstein problem and instead of solving the QAP directly, we propose to learn a related well-scalable linear assignment problem (LAP) whose solution is also a minimizer of the QAP. We also show a flexible extension of the proposed framework to general non-metric dissimilarities through differentiable ranks. We extensively evaluate our approach on synthetic and real datasets from single-cell multiomics and neural latent spaces, achieving state-of-the-art performance while being conceptually and computationally simple. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2406_13507 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Scalable unsupervised alignment of general metric and non-metric structures Vedula, Sanketh Maiorca, Valentino Basile, Lorenzo Locatello, Francesco Bronstein, Alex Machine Learning Aligning data from different domains is a fundamental problem in machine learning with broad applications across very different areas, most notably aligning experimental readouts in single-cell multiomics. Mathematically, this problem can be formulated as the minimization of disagreement of pair-wise quantities such as distances and is related to the Gromov-Hausdorff and Gromov-Wasserstein distances. Computationally, it is a quadratic assignment problem (QAP) that is known to be NP-hard. Prior works attempted to solve the QAP directly with entropic or low-rank regularization on the permutation, which is computationally tractable only for modestly-sized inputs, and encode only limited inductive bias related to the domains being aligned. We consider the alignment of metric structures formulated as a discrete Gromov-Wasserstein problem and instead of solving the QAP directly, we propose to learn a related well-scalable linear assignment problem (LAP) whose solution is also a minimizer of the QAP. We also show a flexible extension of the proposed framework to general non-metric dissimilarities through differentiable ranks. We extensively evaluate our approach on synthetic and real datasets from single-cell multiomics and neural latent spaces, achieving state-of-the-art performance while being conceptually and computationally simple. |
| title | Scalable unsupervised alignment of general metric and non-metric structures |
| topic | Machine Learning |
| url | https://arxiv.org/abs/2406.13507 |