From Euler to Dormand-Prince: ODE Solvers for Flow Matching Generative Models

Diffusion and flow matching models generate samples by learning time-dependent vector fields whose integration transports noise to data, requiring tens to hundreds of network evaluations at inference. We instead learn the transport map directly. We propose Optimal Transport Neural Flow Matching (OT-NFM), an ODE-free generative framework that parameterizes the flow map with neural flows, enabling true one-step generation with a single forward pass. We show that naive flow-map training suffers from mean collapse, where inconsistent noise-data pairings drive all outputs toward the data mean. We prove that consistent coupling is necessary for non-degenerate learning and address this using optimal transport pairings with scalable minibatch and online coupling strategies. Experiments on synthetic benchmarks and image generation tasks (MNIST and CIFAR-10) demonstrate competitive sample quality while reducing inference to a single network evaluation.

Flow matching models generate samples by numerically integrating a learned velocity field, with each integration step requiring a neural network evaluation. Fast generation therefore requires using a small fixed evaluation budget effectively: the key question is not only how to integrate the flow, but where the sampler should spend its steps. We propose SharpEuler, a training-free sampler that profiles a pretrained model offline by estimating where the learned velocity field changes most rapidly along calibration trajectories. This finite-difference estimate defines a solver-aware sharpness profile, which is smoothed and converted by a quantile transform into a timestep grid for any desired inference budget. At test time, sampling remains ordinary Euler integration with the same number of model evaluations as a uniform schedule. We justify SharpEuler using three principles: a numerical principle identifying trajectory acceleration as the leading source of Euler discretization error, a variational principle deriving sharpness-based power-law timestep densities, and a statistical guarantee showing that the finite-sample calibrated sampler is stable at the terminal distribution level. Our experiments show that SharpEuler improves sample quality at fixed budgets, reducing inter-mode leakage and increasing mode coverage.

Diffusion probabilistic models generate samples by learning to reverse a noise-injection process that transforms data into noise. A key development is the reformulation of the reverse sampling process as a deterministic probability flow ordinary differential equation (ODE), which allows for efficient sampling using high-order numerical solvers. Unlike traditional time integrator analysis, the accuracy of this sampling procedure depends not only on numerical integration errors but also on the approximation quality and regularity of the learned score function, as well as their interaction. In this work, we present a rigorous convergence analysis of deterministic samplers derived from probability flow ODEs for general forward processes with arbitrary variance schedules. Specifically, we develop and analyze $p$-th order (exponential) Runge-Kutta schemes, under the practical assumption that the first and second derivatives of the learned score function are bounded. We prove that the total variation distance between the generated and target distributions can be bounded as \begin{align*} O\bigl(d^{\frac{7}{4}}\varepsilon_{\text{score}}^{\frac{1}{2}} +d(dH_{\max})^p\bigr), \end{align*} where $\varepsilon^2_{\text{score}}$ denotes the $L^2$ error in the score function approximation, $d$ is the data dimension, and $H_{\max}$ represents the maximum solver step size. Numerical experiments on benchmark datasets further confirm that the derivatives of the learned score function are bounded in practice.