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Entropic Neural Optimal Transport via Diffusion Processes

Neural Information Processing Systems

We propose a novel neural algorithm for the fundamental problem of computing the entropic optimal transport (EOT) plan between continuous probability distributions which are accessible by samples. Our algorithm is based on the saddle point reformulation of the dynamic version of EOT which is known as the Schrödinger Bridge problem. In contrast to the prior methods for large-scale EOT, our algorithm is end-to-end and consists of a single learning step, has fast inference procedure, and allows handling small values of the entropy regularization coefficient which is of particular importance in some applied problems. Empirically, we show the performance of the method on several large-scale EOT tasks.



Variational Online Mirror Descent for Robust Learning in Schr\"odinger Bridge

arXiv.org Machine Learning

Sch\"odinger bridge (SB) has evolved into a universal class of probabilistic generative models. In practice, however, estimated learning signals are often uncertain, and the reliability promised by existing methods is often based on speculative optimal-case scenarios. Recent studies regarding the Sinkhorn algorithm through mirror descent (MD) have gained attention, revealing geometric insights into solution acquisition of the SB problems. In this paper, we propose a variational online MD (OMD) framework for the SB problems, which provides further stability to SB solvers. We formally prove convergence and a regret bound for the novel OMD formulation of SB acquisition. As a result, we propose a simulation-free SB algorithm called Variational Mirrored Schr\"odinger Bridge (VMSB) by utilizing the Wasserstein-Fisher-Rao geometry of the Gaussian mixture parameterization for Schr\"odinger potentials. Based on the Wasserstein gradient flow theory, the algorithm offers tractable learning dynamics that precisely approximate each OMD step. In experiments, we validate the performance of the proposed VMSB algorithm across an extensive suite of benchmarks. VMSB consistently outperforms contemporary SB solvers on a range of SB problems, demonstrating the robustness predicted by our theory.


Topological Schr\"odinger Bridge Matching

arXiv.org Machine Learning

Given two boundary distributions, the Schr\"odinger Bridge (SB) problem seeks the ``most likely`` random evolution between them with respect to a reference process. It has revealed rich connections to recent machine learning methods for generative modeling and distribution matching. While these methods perform well in Euclidean domains, they are not directly applicable to topological domains such as graphs and simplicial complexes, which are crucial for data defined over network entities, such as node signals and edge flows. In this work, we propose the Topological Schr\"odinger Bridge problem (TSBP) for matching signal distributions on a topological domain. We set the reference process to follow some linear tractable topology-aware stochastic dynamics such as topological heat diffusion. For the case of Gaussian boundary distributions, we derive a closed-form topological SB (TSB) in terms of its time-marginal and stochastic differential. In the general case, leveraging the well-known result, we show that the optimal process follows the forward-backward topological dynamics governed by some unknowns. Building on these results, we develop TSB-based models for matching topological signals by parameterizing the unknowns in the optimal process as (topological) neural networks and learning them through likelihood training. We validate the theoretical results and demonstrate the practical applications of TSB-based models on both synthetic and real-world networks, emphasizing the role of topology. Additionally, we discuss the connections of TSB-based models to other emerging models, and outline future directions for topological signal matching.


On the Hopf-Cole Transform for Control-affine Schr\"{o}dinger Bridge

arXiv.org Machine Learning

The purpose of this note is to clarify the importance of the relation $\boldsymbol{gg}^{\top}\propto \boldsymbol{\sigma\sigma}^{\top}$ in solving control-affine Schr\"{o}dinger bridge problems via the Hopf-Cole transform, where $\boldsymbol{g},\boldsymbol{\sigma}$ are the control and noise coefficients, respectively. We show that the Hopf-Cole transform applied to the conditions of optimality for generic control-affine Schr\"{o}dinger bridge problems, i.e., without the assumption $\boldsymbol{gg}^{\top}\propto\boldsymbol{\sigma\sigma}^{\top}$, gives a pair of forward-backward PDEs that are neither linear nor equation-level decoupled. We explain how the resulting PDEs can be interpreted as nonlinear forward-backward advection-diffusion-reaction equations, where the nonlinearity stem from additional drift and reaction terms involving the gradient of the log-likelihood a.k.a. the score. These additional drift and reaction vanish when $\boldsymbol{gg}^{\top}\propto\boldsymbol{\sigma\sigma}^{\top}$, and the resulting boundary-coupled system of linear PDEs can then be solved by dynamic Sinkhorn recursions. A key takeaway of our work is that the numerical solution of the generic control-affine Schr\"{o}dinger bridge requires further algorithmic development, possibly generalizing the dynamic Sinkhorn recursion or otherwise.


Bidirectional Diffusion Bridge Models

arXiv.org Artificial Intelligence

Diffusion bridges have shown potential in paired image-to-image (I2I) translation tasks. However, existing methods are limited by their unidirectional nature, requiring separate models for forward and reverse translations. This not only doubles the computational cost but also restricts their practicality. In this work, we introduce the Bidirectional Diffusion Bridge Model (BDBM), a scalable approach that facilitates bidirectional translation between two coupled distributions using a single network. BDBM leverages the Chapman-Kolmogorov Equation for bridges, enabling it to model data distribution shifts across timesteps in both forward and backward directions by exploiting the interchangeability of the initial and target timesteps within this framework. Notably, when the marginal distribution given endpoints is Gaussian, BDBM's transition kernels in both directions possess analytical forms, allowing for efficient learning with a single network. We demonstrate the connection between BDBM and existing bridge methods, such as Doob's h-transform and variational approaches, and highlight its advantages. Extensive experiments on high-resolution I2I translation tasks demonstrate that BDBM not only enables bidirectional translation with minimal additional cost but also outperforms state-of-the-art bridge models. Our source code is available at https://github.com/kvmduc/BDBM.


Stochastic Forward-Backward Deconvolution: Training Diffusion Models with Finite Noisy Datasets

arXiv.org Artificial Intelligence

Recent diffusion-based generative models achieve remarkable results by training on massive datasets, yet this practice raises concerns about memorization and copyright infringement. A proposed remedy is to train exclusively on noisy data with potential copyright issues, ensuring the model never observes original content. However, through the lens of deconvolution theory, we show that although it is theoretically feasible to learn the data distribution from noisy samples, the practical challenge of collecting sufficient samples makes successful learning nearly unattainable. To overcome this limitation, we propose to pretrain the model with a small fraction of clean data to guide the deconvolution process. Combined with our Stochastic Forward--Backward Deconvolution (SFBD) method, we attain an FID of $6.31$ on CIFAR-10 with just $4\%$ clean images (and $3.58$ with $10\%$). Theoretically, we prove that SFBD guides the model to learn the true data distribution. The result also highlights the importance of pretraining on limited but clean data or the alternative from similar datasets. Empirical studies further support these findings and offer additional insights.


Inverse Bridge Matching Distillation

arXiv.org Artificial Intelligence

Learning diffusion bridge models is easy; making them fast and practical is an art. Diffusion bridge models (DBMs) are a promising extension of diffusion models for applications in image-to-image translation. However, like many modern diffusion and flow models, DBMs suffer from the problem of slow inference. To address it, we propose a novel distillation technique based on the inverse bridge matching formulation and derive the tractable objective to solve it in practice. Unlike previously developed DBM distillation techniques, the proposed method can distill both conditional and unconditional types of DBMs, distill models in a one-step generator, and use only the corrupted images for training. We evaluate our approach for both conditional and unconditional types of bridge matching on a wide set of setups, including super-resolution, JPEG restoration, sketch-to-image, and other tasks, and show that our distillation technique allows us to accelerate the inference of DBMs from 4x to 100x and even provide better generation quality than used teacher model depending on particular setup.


Soft-constrained Schrodinger Bridge: a Stochastic Control Approach

arXiv.org Machine Learning

Schr\"{o}dinger bridge can be viewed as a continuous-time stochastic control problem where the goal is to find an optimally controlled diffusion process with a pre-specified terminal distribution $\mu_T$. We propose to generalize this stochastic control problem by allowing the terminal distribution to differ from $\mu_T$ but penalizing the Kullback-Leibler divergence between the two distributions. We call this new control problem soft-constrained Schr\"{o}dinger bridge (SSB). The main contribution of this work is a theoretical derivation of the solution to SSB, which shows that the terminal distribution of the optimally controlled process is a geometric mixture of $\mu_T$ and some other distribution. This result is further extended to a time series setting. One application of SSB is the development of robust generative diffusion models. We propose a score matching-based algorithm for sampling from geometric mixtures and showcase its use via a numerical example for the MNIST data set.


Light and Optimal Schr\"odinger Bridge Matching

arXiv.org Artificial Intelligence

Schr\"odinger Bridges (SB) have recently gained the attention of the ML community as a promising extension of classic diffusion models which is also interconnected to the Entropic Optimal Transport (EOT). Recent solvers for SB exploit the pervasive bridge matching procedures. Such procedures aim to recover a stochastic process transporting the mass between distributions given only a transport plan between them. In particular, given the EOT plan, these procedures can be adapted to solve SB. This fact is heavily exploited by recent works giving rives to matching-based SB solvers. The cornerstone here is recovering the EOT plan: recent works either use heuristical approximations (e.g., the minibatch OT) or establish iterative matching procedures which by the design accumulate the error during the training. We address these limitations and propose a novel procedure to learn SB which we call the \textbf{optimal Schr\"odinger bridge matching}. It exploits the optimal parameterization of the diffusion process and provably recovers the SB process \textbf{(a)} with a single bridge matching step and \textbf{(b)} with arbitrary transport plan as the input. Furthermore, we show that the optimal bridge matching objective coincides with the recently discovered energy-based modeling (EBM) objectives to learn EOT/SB. Inspired by this observation, we develop a light solver (which we call LightSB-M) to implement optimal matching in practice using the Gaussian mixture parameterization of the Schr\"odinger potential. We experimentally showcase the performance of our solver in a range of practical tasks. The code for the LightSB-M solver can be found at \url{https://github.com/SKholkin/LightSB-Matching}.