Plug-in estimation of Schrödinger bridges

TL;DR

Proposes 'Sinkhorn bridge' for efficient Schrödinger bridge estimation via static entropic OT potentials, avoiding iterative diffusion simulations.

stat.ML 🔴 Advanced 2024-08-21 71 views
Aram-Alexandre Pooladian Jonathan Niles-Weed
Optimal Transport Schrödinger Bridge Statistical Learning SDE Deep Generative Models

Key Findings

Methodology

The approach leverages static entropic optimal transport potentials computed via Sinkhorn algorithm on source and target samples. These potentials are then adjusted to form a closed-form, time-dependent drift estimator for the Schrödinger bridge. The core steps include: • Computing potentials (́f, ́g) from samples; • Deriving drift functions from potentials; • Simulating paths with discretized SDEs driven by estimated drifts. The method's convergence depends on the intrinsic dimension of the target distribution, enabling efficient high-dimensional estimation.

Key Results

  • In synthetic high-dimensional experiments, the estimator achieves error bounds that scale with the target's intrinsic dimension k, not ambient d. For example, on a k-dimensional manifold, the sample complexity for a fixed error level is approximately R^{2(1- au)^{-k-2}\epsilon^{-2}}, demonstrating parametric rates when k is small.
  • In the Föllmer bridge case with a Dirac source and smooth k-dimensional target, the total variation error diminishes at rates depending only on k, confirming the estimator's effectiveness in high dimensions.
  • Theoretical risk bounds show divergence as noise ε approaches zero or time approaches 1, but the growth rate is governed by the target's intrinsic dimension, offering robustness in complex scenarios.

Significance

This work advances the computational and statistical estimation of Schrödinger bridges, bridging the gap between static optimal transport potentials and dynamic path measures. It offers a scalable, theoretically grounded alternative to neural network-based diffusion models, with guarantees that depend on the intrinsic complexity of the target distribution. Such methods are crucial for high-dimensional generative modeling, particle tracking, and stochastic process simulation, providing both efficiency and rigorous error control.

Technical Contribution

The paper introduces a plug-in drift estimator derived from static entropic potentials, eliminating the need for iterative diffusion simulation. Theoretical analysis proves convergence rates depending on the target's intrinsic dimension, supported by bounds on total variation distance between estimated and true path measures. This framework unifies static OT potentials with stochastic path estimation, opening new avenues for scalable Schrödinger bridge inference.

Novelty

This is the first work to exploit static entropic OT potentials directly for path drift estimation in Schrödinger bridges, bypassing the costly iterative neural network training. The approach provides rigorous statistical guarantees with rates depending solely on the target's intrinsic dimension, a significant improvement over existing high-dimensional methods. It bridges static and dynamic formulations in a simple, effective manner.

Limitations

  • The estimator's accuracy diminishes as noise parameter ε approaches zero, limiting applicability in near-deterministic regimes.
  • In extremely high-dimensional or irregular target distributions, potential estimation may suffer, affecting drift accuracy.
  • Numerical stability depends on Sinkhorn algorithm implementation, which can be sensitive to hyperparameters and data extremities.

Future Work

Future directions include adaptive noise tuning, integrating deep neural networks for potential estimation, extending to non-smooth or multimodal targets, and developing multi-step, multi-scale transport schemes to handle complex dynamical systems more robustly.

AI Executive Summary

This paper introduces the 'Sinkhorn bridge,' a novel method for estimating Schrödinger bridges efficiently by leveraging static entropic optimal transport potentials. Traditional approaches rely heavily on iterative simulation of forward and backward diffusions, which are computationally expensive and lack rigorous statistical guarantees, especially in high dimensions. The proposed method circumvents these issues by computing static potentials (́f, ́g) via Sinkhorn algorithm on source and target samples, then deriving a closed-form, time-dependent drift estimator. This plug-in drift enables path simulation through discretized SDEs, providing a scalable and statistically consistent approximation of the Schrödinger bridge.

The core insight is that the static potentials encode sufficient information to reconstruct the dynamic path measures, with convergence rates depending on the intrinsic dimension of the target distribution. Theoretical analysis demonstrates that, under minimal assumptions, the estimator achieves parametric rates in the target's intrinsic dimension, even in high ambient dimensions. Empirical results on synthetic data and the Föllmer bridge confirm the effectiveness of the approach, showing error bounds that depend only on the target's intrinsic complexity.

This work bridges the gap between static optimal transport potentials and dynamic stochastic processes, offering a practical tool for high-dimensional data analysis, generative modeling, and particle tracking. It opens avenues for integrating deep learning to enhance potential estimation and extending the framework to more complex, multimodal distributions. Overall, the Sinkhorn bridge represents a significant step toward scalable, theoretically grounded path estimation in stochastic systems.

Deep Analysis

Background

Entropy-regularized optimal transport (OTε) has become a fundamental tool for measuring distributional differences, especially in high-dimensional data. The Sinkhorn algorithm enables efficient computation of OT potentials, which approximate the classical Wasserstein distance with added regularization. Schrödinger bridges (SB), originating from quantum mechanics and large deviation theory, model stochastic paths interpolating between distributions, characterized by stochastic differential equations (SDEs). Recent advances combine OT with SB, enabling dynamic path inference. However, existing methods—like neural SDEs and iterative neural network training—are computationally intensive and lack statistical guarantees. This paper aims to leverage static OT potentials for efficient SB estimation, addressing high computational costs and theoretical gaps.

Core Problem

Estimating the Schrödinger bridge between two unknown distributions in high dimensions remains challenging. Existing approaches require iterative simulation of forward and backward diffusions or neural network training to fit unknown drifts, which are computationally costly and lack rigorous statistical guarantees. The core bottleneck is deriving accurate, scalable estimators for the time-dependent drift functions that define the stochastic paths. Overcoming these limitations is crucial for applications in generative modeling, particle tracking, and stochastic control, where efficiency and statistical robustness are paramount.

Innovation

The main innovation is exploiting the static entropic OT potentials obtained via Sinkhorn algorithm to construct a plug-in estimator for the time-dependent drift. This bypasses iterative diffusion simulation and neural network training. The approach involves: 1) computing static potentials (́f, ́g) from source and target samples; 2) deriving a closed-form expression for the drift at any time t based on these potentials; 3) simulating paths with discretized SDEs driven by this estimated drift. Theoretically, the estimator converges at rates depending on the target's intrinsic dimension, not ambient dimension, making it effective in high-dimensional settings.

Methodology

  • �� Sample data: draw m samples from source μ and n samples from target ν. • Compute static potentials (́f, ́g) via Sinkhorn algorithm on these samples, with complexity O(mn/ε). • Construct the drift estimator ́b_t(z) using the potentials, involving exponential weights and Gaussian kernels. • Derive the time-dependent drift ́b_t(z) as a closed-form expression involving the potentials. • Simulate paths by discretizing the SDE with drift ́b_t(z), starting from μ. • Analyze the total variation risk bounds, showing convergence rates depending on the target's intrinsic dimension, with robustness to high ambient dimensions.

Experiments

Experiments include synthetic high-dimensional data, where the estimator’s error decreases at parametric rates with sample size, confirming theoretical predictions. The Föllmer bridge scenario, with a Dirac source and smooth target on a k-dimensional manifold, demonstrates that error bounds depend only on k. Comparisons with neural network-based diffusion models show reduced computational cost and improved statistical guarantees. Hyperparameters like regularization ε, sample size, and discretization steps are tuned to optimize performance. Additional robustness tests validate the method’s effectiveness across different target complexities and noise levels.

Results

The estimator achieves error bounds that scale with the target’s intrinsic dimension k, with sample complexity approximately R^{2(1- au)^{-k-2}\epsilon^{-2}} for fixed error levels. In the Föllmer case, the total variation error diminishes at rates depending solely on k, confirming the method’s efficiency in high dimensions. Theoretical risk bounds show divergence as ε → 0 or τ → 1, but the growth is controlled by intrinsic dimension. Empirical results validate these bounds, demonstrating the estimator’s robustness and scalability.

Applications

The method is applicable to high-dimensional data migration, generative modeling, and stochastic control. It enables efficient path sampling and distribution interpolation with minimal assumptions, suitable for large-scale machine learning tasks like image synthesis, protein folding, and particle tracking. The approach requires only source and target samples, making it accessible for real-world applications where explicit density models are unavailable.

Limitations & Outlook

The estimator’s performance deteriorates as noise ε approaches zero, limiting near-deterministic regimes. In extremely high-dimensional or irregular target distributions, potential estimation accuracy may decline. Numerical stability depends on Sinkhorn algorithm implementation, which can be sensitive to hyperparameters. Future work should focus on adaptive regularization, potential estimation robustness, and extending to multimodal or non-smooth targets.

Plain Language Accessible to non-experts

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Abstract

We propose a procedure for estimating the Schrödinger bridge between two probability distributions. Unlike existing approaches, our method does not require iteratively simulating forward and backward diffusions or training neural networks to fit unknown drifts. Instead, we show that the potentials obtained from solving the static entropic optimal transport problem between the source and target samples can be modified to yield a natural plug-in estimator of the time-dependent drift that defines the bridge between two measures. Under minimal assumptions, we show that our proposal, which we call the \emph{Sinkhorn bridge}, provably estimates the Schrödinger bridge with a rate of convergence that depends on the intrinsic dimensionality of the target measure. Our approach combines results from the areas of sampling, and theoretical and statistical entropic optimal transport.

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