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Probability-Flow ODE in Infinite-Dimensional Function Spaces (2503.10219v1)

Published 13 Mar 2025 in cs.LG and stat.ML

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.

Summary

  • The paper extends probability-flow ordinary differential equations (PF-ODEs) to infinite-dimensional function spaces to accelerate inference in infinite-dimensional diffusion models.
  • Empirical results show the derived PF-ODE achieves generation quality comparable to SDEs while requiring significantly fewer function evaluations in toy models and PDEs.
  • This work reduces computational costs for function generation, potentially enabling faster inference and broadening the application of diffusion models in areas like partial differential equations.

The paper "Probability-Flow ODE in Infinite-Dimensional Function Spaces" (2503.10219) introduces an extension of the probability-flow ordinary differential equation (PF-ODE) to infinite-dimensional function spaces, addressing the acceleration of inference in infinite-dimensional diffusion models. The method aims to overcome limitations in finite-dimensional diffusion models related to the generation of discrete function values and the inability to capture essential functional characteristics such as integrability and smoothness. The motivation behind this work is to broaden the applicability of diffusion models in domains requiring infinite-dimensional analysis, with a focus on applications in partial differential equations (PDEs).

Key Contributions

The paper makes two primary contributions: the derivation of a PF-ODE for infinite-dimensional spaces and empirical validation of the derived method.

Derivation of PF-ODE for Infinite-Dimensional Spaces

The authors formulate a rigorous mathematical framework for PF-ODEs in infinite-dimensional spaces, accommodating a broad class of stochastic differential equations (SDEs), including VPSDE, VESDE, and sub-VPSDE. The derivation uses functional derivatives and the Fokker-Planck-Kolmogorov equation in measure-valued form. This theoretical development enables the application of PF-ODEs to scenarios where the state space is a function space, allowing for the direct generation of functions rather than discrete approximations.

Empirical Validation

The paper includes empirical results that demonstrate the efficacy of sampling with the derived PF-ODE, which achieves generation quality comparable to or better than traditional SDE-based approaches while requiring significantly fewer function evaluations (NFEs). The experiments involve toy models and real-world PDEs, underscoring the practical implications of the theoretical advancements. The results highlight the potential for PF-ODEs to reduce computational overhead in function generation tasks, making them more feasible for real-time applications in scientific computing and other fields requiring efficient sampling of complex functions.

Implications and Future Work

This research has several implications for both the theory and application of infinite-dimensional diffusion models.

Theoretical Implications

The extension of PF-ODEs to infinite-dimensional spaces lays a theoretical foundation for further exploration of consistency and fast sampling methods in infinite-dimensional generative models. This advancement may lead to refinements in the mathematical frameworks underlying infinite-dimensional diffusion processes, potentially improving the stability and convergence properties of these models.

Practical Implications

The empirical results suggest that PF-ODEs in infinite-dimensional spaces can substantially reduce computational costs in function generation tasks. This efficiency is particularly relevant in applications where computational resources are limited or where real-time performance is required. The reduction in NFEs makes it possible to tackle more complex problems and explore larger parameter spaces.

Speculations on Future Developments

The introduction of PF-ODEs in infinite-dimensional spaces may spur advancements in fast sampling methods and consistency modeling in these spaces, mirroring developments in finite-dimensional settings. Addressing challenges such as discretization error analysis for PF-ODE and SDE methods could improve the robustness and efficiency of these models. Future research could also focus on extending the framework to handle more general classes of SDEs and exploring applications in other areas of scientific computing, such as uncertainty quantification and Bayesian inference.

In summary, the paper introduces a PF-ODE in infinite-dimensional function spaces to enhance inference and sampling efficiency in infinite-dimensional diffusion models. The approach is validated empirically through applications to toy models and PDEs, showing improved generation quality with fewer function evaluations compared to traditional SDE methods. This work paves the way for future developments in fast sampling methods, consistency modeling, and the handling of discretization errors, with broad implications for function generation tasks across various scientific domains.

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