Neural latent geometry search: product manifold inference via Gromov-Hausdorff-informed Bayesian optimization

Recent research indicates that the performance of machine learning models can be improved by aligning the geometry of the latent space with the underlying data structure. Rather than relying solely on Euclidean space, researchers have proposed using hyperbolic and spherical spaces with constant curv...

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Main Authors: Sáez de Ocáriz Borde, H, Arroyo, Á, Morales López, I, Posner, I, Dong, X
Format: Conference item
Jezik:English
Izdano: Neural Information Processing Systems Foundation 2024
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author Sáez de Ocáriz Borde, H
Arroyo, Á
Morales López, I
Posner, I
Dong, X
author_facet Sáez de Ocáriz Borde, H
Arroyo, Á
Morales López, I
Posner, I
Dong, X
author_sort Sáez de Ocáriz Borde, H
collection OXFORD
description Recent research indicates that the performance of machine learning models can be improved by aligning the geometry of the latent space with the underlying data structure. Rather than relying solely on Euclidean space, researchers have proposed using hyperbolic and spherical spaces with constant curvature, or combinations thereof, to better model the latent space and enhance model performance. However, little attention has been given to the problem of automatically identifying the optimal latent geometry for the downstream task. We mathematically define this novel formulation and coin it as neural latent geometry search (NLGS). More specifically, we introduce an initial attempt to search for a latent geometry composed of a product of constant curvature model spaces with a small number of query evaluations, under some simplifying assumptions. To accomplish this, we propose a novel notion of distance between candidate latent geometries based on the Gromov-Hausdorff distance from metric geometry. In order to compute the Gromov-Hausdorff distance, we introduce a mapping function that enables the comparison of different manifolds by embedding them in a common high-dimensional ambient space. We then design a graph search space based on the notion of smoothness between latent geometries and employ the calculated distances as an additional inductive bias. Finally, we use Bayesian optimization to search for the optimal latent geometry in a query-efficient manner. This is a general method which can be applied to search for the optimal latent geometry for a variety of models and downstream tasks. We perform experiments on synthetic and real-world datasets to identify the optimal latent geometry for multiple machine learning problems.
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spelling oxford-uuid:4e73dead-fa72-41c6-bae1-af7139a803ca2024-07-30T15:00:43ZNeural latent geometry search: product manifold inference via Gromov-Hausdorff-informed Bayesian optimization Conference itemhttp://purl.org/coar/resource_type/c_5794uuid:4e73dead-fa72-41c6-bae1-af7139a803caEnglishSymplectic ElementsNeural Information Processing Systems Foundation2024Sáez de Ocáriz Borde, HArroyo, ÁMorales López, IPosner, IDong, XRecent research indicates that the performance of machine learning models can be improved by aligning the geometry of the latent space with the underlying data structure. Rather than relying solely on Euclidean space, researchers have proposed using hyperbolic and spherical spaces with constant curvature, or combinations thereof, to better model the latent space and enhance model performance. However, little attention has been given to the problem of automatically identifying the optimal latent geometry for the downstream task. We mathematically define this novel formulation and coin it as neural latent geometry search (NLGS). More specifically, we introduce an initial attempt to search for a latent geometry composed of a product of constant curvature model spaces with a small number of query evaluations, under some simplifying assumptions. To accomplish this, we propose a novel notion of distance between candidate latent geometries based on the Gromov-Hausdorff distance from metric geometry. In order to compute the Gromov-Hausdorff distance, we introduce a mapping function that enables the comparison of different manifolds by embedding them in a common high-dimensional ambient space. We then design a graph search space based on the notion of smoothness between latent geometries and employ the calculated distances as an additional inductive bias. Finally, we use Bayesian optimization to search for the optimal latent geometry in a query-efficient manner. This is a general method which can be applied to search for the optimal latent geometry for a variety of models and downstream tasks. We perform experiments on synthetic and real-world datasets to identify the optimal latent geometry for multiple machine learning problems.
spellingShingle Sáez de Ocáriz Borde, H
Arroyo, Á
Morales López, I
Posner, I
Dong, X
Neural latent geometry search: product manifold inference via Gromov-Hausdorff-informed Bayesian optimization
title Neural latent geometry search: product manifold inference via Gromov-Hausdorff-informed Bayesian optimization
title_full Neural latent geometry search: product manifold inference via Gromov-Hausdorff-informed Bayesian optimization
title_fullStr Neural latent geometry search: product manifold inference via Gromov-Hausdorff-informed Bayesian optimization
title_full_unstemmed Neural latent geometry search: product manifold inference via Gromov-Hausdorff-informed Bayesian optimization
title_short Neural latent geometry search: product manifold inference via Gromov-Hausdorff-informed Bayesian optimization
title_sort neural latent geometry search product manifold inference via gromov hausdorff informed bayesian optimization
work_keys_str_mv AT saezdeocarizbordeh neurallatentgeometrysearchproductmanifoldinferenceviagromovhausdorffinformedbayesianoptimization
AT arroyoa neurallatentgeometrysearchproductmanifoldinferenceviagromovhausdorffinformedbayesianoptimization
AT moraleslopezi neurallatentgeometrysearchproductmanifoldinferenceviagromovhausdorffinformedbayesianoptimization
AT posneri neurallatentgeometrysearchproductmanifoldinferenceviagromovhausdorffinformedbayesianoptimization
AT dongx neurallatentgeometrysearchproductmanifoldinferenceviagromovhausdorffinformedbayesianoptimization