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Probability-Flow ODE in Infinite-Dimensional Function Spaces

Kunwoo Na, Junghyun Lee, Se-Young Yun, Sungbin Lim

TL;DR

This work derives an infinite-dimensional probability-flow ODE (PF-ODE) for function-space diffusion models by formulating a weak, measure-based evolution in a Hilbert space with a logarithmic gradient on the Cameron–Martin space. The PF-ODE, $dY_t = \left[B(t,Y_t)- \tfrac12 A(t) \rho_{\mathcal{H}_Q}^{\mu_t}(Y_t)\right] dt$, preserves the law of the original SDE and enables faster sampling for function-generation tasks including PDE solutions by reducing the number of function evaluations. Empirical results on 1D function generation and PDE tasks (diffusion-reaction and heat equations) show that PF-ODE sampling achieves comparable or superior sample quality at lower NFEs compared with time-reversed SDEs, with notable improvements in stability and fidelity. The study provides practical implementation details (e.g., using Fourier Neural Operators and Bessel priors) and highlights the potential of infinite-dimensional diffusion modeling for efficient functional generation and PDE inference, while outlining future work on faster sampling, knowledge distillation, and discretization-error analysis.

Abstract

Recent advances in infinite-dimensional diffusion models have demonstrated their effectiveness and scalability in function generation tasks where the underlying structure is inherently infinite-dimensional. To accelerate inference in such models, we derive, for the first time, an analog of the probability-flow ODE (PF-ODE) in infinite-dimensional function spaces. Leveraging this newly formulated PF-ODE, we reduce the number of function evaluations while maintaining sample quality in function generation tasks, including applications to PDEs.

Probability-Flow ODE in Infinite-Dimensional Function Spaces

TL;DR

This work derives an infinite-dimensional probability-flow ODE (PF-ODE) for function-space diffusion models by formulating a weak, measure-based evolution in a Hilbert space with a logarithmic gradient on the Cameron–Martin space. The PF-ODE, , preserves the law of the original SDE and enables faster sampling for function-generation tasks including PDE solutions by reducing the number of function evaluations. Empirical results on 1D function generation and PDE tasks (diffusion-reaction and heat equations) show that PF-ODE sampling achieves comparable or superior sample quality at lower NFEs compared with time-reversed SDEs, with notable improvements in stability and fidelity. The study provides practical implementation details (e.g., using Fourier Neural Operators and Bessel priors) and highlights the potential of infinite-dimensional diffusion modeling for efficient functional generation and PDE inference, while outlining future work on faster sampling, knowledge distillation, and discretization-error analysis.

Abstract

Recent advances in infinite-dimensional diffusion models have demonstrated their effectiveness and scalability in function generation tasks where the underlying structure is inherently infinite-dimensional. To accelerate inference in such models, we derive, for the first time, an analog of the probability-flow ODE (PF-ODE) in infinite-dimensional function spaces. Leveraging this newly formulated PF-ODE, we reduce the number of function evaluations while maintaining sample quality in function generation tasks, including applications to PDEs.

Paper Structure

This paper contains 43 sections, 5 theorems, 52 equations, 8 figures, 5 tables.

Key Result

Theorem 3.1

Let $X_t$ be a solution of Eqn. (eqn:SDE-H) and $\mu_t := \mathrm{Law}(X_t)$. Then, $\mu_t$ satisfies the Fokker-Planck-Kolmogorov equation of $(Y_t)_{t \in [0, T]}$, where $(Y_t)_{t \in [0, T]}$ is a solution of the following probability-flow ODE in infinite-dimension: Here, $A(t) := G(t) G(t)^\ast$ and $\rho_{\mathcal{H}_Q}^{\mu_t}$ is the logarithmic gradient of $\mu_t$ along $\mathcal{H}_Q$.

Figures (8)

  • Figure 1: Power vs. NFE.
  • Figure 2: Qualitative comparison of ODE- and SDE-generated samples in Quadratic dataset with NFE$\in${5, 20, 35}. Samples from the (Top) ODE solver and (Bottom) SDE solver.
  • Figure 3: Ground-truth solutions sampled from PDEBench dataset.
  • Figure 4: Qualitative comparison of ODE- and SDE-generated solutions for diffusion-reaction equation with NFE$\in${10, 50, 90}. Samples from the (Top) ODE solver and (Bottom) SDE solver.
  • Figure 5: SW vs. NFE.
  • ...and 3 more figures

Theorems & Definitions (11)

  • Theorem 3.1
  • Definition A.1
  • Theorem A.2: ref. bogachev1998gaussian, Theorem 2.2.4
  • Definition A.3
  • Definition A.4
  • Theorem A.5
  • Definition A.6: ref. bogachev1999absolutely
  • Theorem : Restatement of Theorem \ref{['thm:prob-flow-ode']}
  • proof : Proof of Theorem \ref{['thm:prob-flow-ode']}
  • Lemma B.1
  • ...and 1 more