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 probability flow ode




Sampling via Stochastic Interpolants by Langevin-based Velocity and Initialization Estimation in Flow ODEs

Duan, Chenguang, Jiao, Yuling, Steidl, Gabriele, Wald, Christian, Yang, Jerry Zhijian, Zhang, Ruizhe

arXiv.org Machine Learning

We propose a novel method for sampling from unnormalized Boltzmann densities based on a probability-flow ordinary differential equation (ODE) derived from linear stochastic interpolants. The key innovation of our approach is the use of a sequence of Langevin samplers to enable efficient simulation of the flow. Specifically, these Langevin samplers are employed (i) to generate samples from the interpolant distribution at intermediate times and (ii) to construct, starting from these intermediate times, a robust estimator of the velocity field governing the flow ODE. For both applications of the Langevin diffusions, we establish convergence guarantees. Extensive numerical experiments demonstrate the efficiency of the proposed method on challenging multimodal distributions across a range of dimensions, as well as its effectiveness in Bayesian inference tasks.


Tilt Matching for Scalable Sampling and Fine-Tuning

Potaptchik, Peter, Lee, Cheuk-Kit, Albergo, Michael S.

arXiv.org Machine Learning

We propose a simple, scalable algorithm for using stochastic interpolants to sample from unnormalized densities and for fine-tuning generative models. The approach, Tilt Matching, arises from a dynamical equation relating the flow matching velocity to one targeting the same distribution tilted by a reward, implicitly solving a stochastic optimal control problem. The new velocity inherits the regularity of stochastic interpolant transports while also being the minimizer of an objective with strictly lower variance than flow matching itself. The update to the velocity field can be interpreted as the sum of all joint cumulants of the stochastic interpolant and copies of the reward, and to first order is their covariance. The algorithms do not require any access to gradients of the reward or backpropagating through trajectories of the flow or diffusion. We empirically verify that the approach is efficient and highly scalable, providing state-of-the-art results on sampling under Lennard-Jones potentials and is competitive on fine-tuning Stable Diffusion, without requiring reward multipliers. It can also be straightforwardly applied to tilting few-step flow map models.


The probability flow ODE is provably fast

Neural Information Processing Systems

We provide the first polynomial-time convergence guarantees for the probabilistic flow ODE implementation (together with a corrector step) of score-based generative modeling. Our analysis is carried out in the wake of recent results obtaining such guarantees for the SDE-based implementation (i.e., denoising diffusion probabilistic modeling or DDPM), but requires the development of novel techniques for studying deterministic dynamics without contractivity. Through the use of a specially chosen corrector step based on the underdamped Langevin diffusion, we obtain better dimension dependence than prior works on DDPM ($O(\sqrt d)$ vs. $O(d)$, assuming smoothness of the data distribution), highlighting potential advantages of the ODE framework.



Non-asymptotic error bounds for probability flow ODEs under weak log-concavity

Kremling, Gitte, Iafrate, Francesco, Taheri, Mahsa, Lederer, Johannes

arXiv.org Machine Learning

Score-based generative modeling, implemented through probability flow ODEs, has shown impressive results in numerous practical settings. However, most convergence guarantees rely on restrictive regularity assumptions on the target distribution -- such as strong log-concavity or bounded support. This work establishes non-asymptotic convergence bounds in the 2-Wasserstein distance for a general class of probability flow ODEs under considerably weaker assumptions: weak log-concavity and Lipschitz continuity of the score function. Our framework accommodates non-log-concave distributions, such as Gaussian mixtures, and explicitly accounts for initialization errors, score approximation errors, and effects of discretization via an exponential integrator scheme. Bridging a key theoretical challenge in diffusion-based generative modeling, our results extend convergence theory to more realistic data distributions and practical ODE solvers. We provide concrete guarantees for the efficiency and correctness of the sampling algorithm, complementing the empirical success of diffusion models with rigorous theory. Moreover, from a practical perspective, our explicit rates might be helpful in choosing hyperparameters, such as the step size in the discretization.