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This research advances generative modeling by applying Schrödinger bridges directly to non-Euclidean Lie group manifolds, addressing geometric inconsistencies inherent in standard Euclidean representations. The authors introduce two computational frameworks—WKBC for Abelian groups and RCCBM for non-Abelian groups—to enable accurate generation of complex structures like protein conformations without flattening the data. By establishing modular error bounds and validating on biological datasets such as RNA torsions, this work provides a rigorous path for entropy-regularized transport in high-dimensional geometric spaces.
Schr\"odinger Bridges on Lie Group Manifolds for Probabilistic Intrinsic Generation
arXiv:2609.02196v1 Announce Type: cross Abstract: Generative modeling directly on geometric manifolds can avoid errors introduced by flattening non-Euclidean data, repeated ambient projection, and coordinate inconsistency in Euclidean representations. Schrodinger bridges provide a probabilistic generative framework for entropy-regularized transport between prescribed endpoint distributions. We study Schrodinger bridges for kinetic dynamics on Lie group manifolds with state X_t = (g_t, xi_t) in G x g, allowing endpoint observations to constrain only the variables that are actually measured. In particular, the entropy projection determines the conditional law of the unobserved endpoint velocities. For the same observed endpoint bridge, we develop two computational realizations: Wrapped-Kernel Bridge Calibration (WKBC) uses an explicit periodized kinetic kernel on compact Abelian groups, whereas Reciprocal Conditional-Control Bridge Matching (RCCBM) handles compact non-Abelian groups through two-sided endpoint calibration and mollified conditional-control matching. The canonical teacher-mixture path law is itself a Markov reciprocal law, so forward generation uses a calibrated initial law and one learned Doob controller. Moreover, we establish a modular error bound in the bounded-Lipschitz path metric that provides a clean separation of errors due to endpoints, control regression, initialization, discretization, and related approximations. Experiments on multiple Lie group manifold datasets validate the feasibility and consistency of our proposed method, covering protein and RNA torsions, SO(3), U(n), and the Protein Conformational Transition Pathway Generation task using mdCATH trajectories in a compact reduced representation. The source code is publicly available at https://github.com/cafferyzhang12/Schr-dinger_Bridge_on_LieGroup.
Abstract:Generative modeling directly on geometric manifolds can avoid errors introduced by flattening non-Euclidean data, repeated ambient projection, and coordinate inconsistency in Euclidean representations. Schrodinger bridges provide a probabilistic generative framework for entropy-regularized transport between prescribed endpoint distributions. We study Schrodinger bridges for kinetic dynamics on Lie group manifolds with state X_t = (g_t, xi_t) in G x g, allowing endpoint observations to constrain only the variables that are actually measured. In particular, the entropy projection determines the conditional law of the unobserved endpoint velocities. For the same observed endpoint bridge, we develop two computational realizations: Wrapped-Kernel Bridge Calibration (WKBC) uses an explicit periodized kinetic kernel on compact Abelian groups, whereas Reciprocal Conditional-Control Bridge Matching (RCCBM) handles compact non-Abelian groups through two-sided endpoint calibration and mollified conditional-control matching. The canonical teacher-mixture path law is itself a Markov reciprocal law, so forward generation uses a calibrated initial law and one learned Doob controller. Moreover, we establish a modular error bound in the bounded-Lipschitz path metric that provides a clean separation of errors due to endpoints, control regression, initialization, discretization, and related approximations. Experiments on multiple Lie group manifold datasets validate the feasibility and consistency of our proposed method, covering protein and RNA torsions, SO(3), U(n), and the Protein Conformational Transition Pathway Generation task using mdCATH trajectories in a compact reduced representation. The source code is publicly available at this https URL.
Machine Learning (stat.ML); Artificial Intelligence (cs.AI); Machine Learning (cs.LG)
arXiv:2609.02196 [stat.ML]
(or arXiv:2609.02196v1 [stat.ML] for this version)
https://doi.org/10.48550/arXiv.2609.02196 Focus to learn more arXiv-issued DOI via DataCite (pending registration)
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