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Diffusion is the passive movement of substances down their concentration gradients—requiring no expenditure of cellular energy. Substances, such as molecules or ions, diffuse from an area of high concentration to an area of low concentration in the cytosol or across membranes. Eventually, the concentration will even out, with the substance moving randomly but causing no net change in concentration. Such a state is called dynamic equilibrium, which is essential for maintaining overall...
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Related Experiment Video

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Synthesis of Cyclic Polymers and Characterization of Their Diffusive Motion in the Melt State at the Single Molecule Level
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FunDiff: diffusion models over function spaces for physics-informed generative modeling.

Sifan Wang1, Zehao Dou2, Siming Shan2

  • 1Institute for Foundations of Data Science, Yale University, New Haven, CT, USA.

Nature Communications
|April 26, 2026
PubMed
Summary
This summary is machine-generated.

We developed FunDiff, a generative model for continuous functions, overcoming challenges in applying generative AI to physical sciences. This framework ensures generated data adheres to physical laws, enhancing scientific discovery.

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Area of Science:

  • Computational Physics
  • Generative AI
  • Scientific Machine Learning

Background:

  • Generative models like diffusion models and flow matching excel at discrete data synthesis (images, videos).
  • Adapting these models for continuous functions in physical applications is challenging due to complex governing laws.
  • Existing methods struggle to incorporate physical priors and handle varying data discretizations.

Purpose of the Study:

  • To introduce FunDiff, an efficient and robust framework for generative modeling in function spaces.
  • To enable the synthesis of continuous functions that adhere to physical laws for scientific applications.
  • To provide theoretical guarantees and demonstrate practical effectiveness in fluid and solid mechanics.

Main Methods:

  • FunDiff combines a latent diffusion process with a function autoencoder architecture.
  • Handles input functions with varying discretizations and generates continuous functions.
  • Incorporates physical priors via architectural constraints or physics-informed loss functions.

Main Results:

  • Theoretically established minimax optimality guarantees for density estimation in function spaces.
  • Demonstrated FunDiff's effectiveness in fluid dynamics and solid mechanics applications.
  • Generated physically consistent samples with high fidelity, robust to noisy and low-resolution data.

Conclusions:

  • FunDiff offers a powerful new approach for generative modeling in scientific domains involving continuous functions.
  • The framework successfully integrates physical laws, ensuring generated data is scientifically plausible.
  • This work advances the application of generative AI to complex physical systems.