arXiv Machine Learning

Modelling Gas-Phase Reaction Kinetics with Guided Particle Diffusion Sampling

arXiv:2604. 16461v2 Announce Type: replace-cross Abstract: Physics-guided sampling with diffusion priors has recently shown strong performance in solving complex systems of partial differential equations (PDEs) from sparse observations.

arXiv AI
Jun 3

Physics-informed diffusion models in spectral space

arXiv:2602. 09708v2 Announce Type: replace-cross Abstract: We propose physics-informed spectral diffusion (PISD), a methodology that combines generative latent diffusion models with physics-informed machine learning to generate solutions of partial differential equations (PDEs) conditioned on partial observations, which includes, in particular, forward and inverse PDE problems.

By Davide Gallon, Philippe von Wurstemberger, Patrick Cheridito, Arnulf Jentzen
arXiv Machine Learning
Aug 28

Self-Augmented Diffusion Guidance for Physics-Informed Generation

The paper introduces Self-Augmented Diffusion Guidance, a physics-informed method that augments diffusion models with self-generated data to enforce physical law constraints. By conditioning the data distribution on the deviation from correct dynamics and setting this deviation to zero during generation, the approach decouples equation evaluation from training and sampling, avoiding costly numerical solves. Experiments show the method markedly reduces deviations versus standard diffusion models and further improves results when combined with existing physics-constrained diffusion techniques.

By Akira Osaka, Naoya Takeishi, Takehisa Yairi
Hugging Face Trending Papers
Aug 27

Self-Augmented Diffusion Guidance for Physics-Informed Generation

The paper introduces a physics‑informed diffusion guidance technique that uses self‑generated data augmentation to condition the diffusion model on the deviation from physical laws. By setting this deviation to zero during sampling, the method decouples equation evaluation from training and sampling, eliminating the need to solve governing equations at each denoising step. Experiments show the approach substantially reduces deviations from true dynamics and further improves performance when combined with existing physics‑constrained diffusion methods.

arXiv Machine Learning
Aug 31

Improved off-policy training of diffusion samplers

The paper investigates training diffusion models to sample from distributions defined by unnormalized densities or energy functions. It benchmarks various diffusion-structured inference techniques, including simulation-based variational methods and off-policy approaches such as continuous generative flow networks, highlighting their relative strengths and challenging some prior claims. Additionally, the authors introduce a new exploration strategy for off-policy methods that employs local search in the target space with a replay buffer, demonstrating improved sample quality across multiple target distributions.

By Marcin Sendera, Minsu Kim, Sarthak Mittal, Pablo Lemos, Luca Scimeca, Jarrid Rector-Brooks, Alexandre Adam, Yoshua Bengio, Esmeralda S. Whitammer
arXiv Machine Learning
Oct 8

Noise, Denoise, Correct: MCMC Posterior Sampling with Diffusion Priors in Three Steps

The paper introduces Diffusion Waltz, an MCMC algorithm that uses SDEdit-style noising and denoising as a proposal and corrects it with Metropolis-Hastings to achieve exact posterior sampling without evaluating the prior. It also incorporates observations into the proposal via a gradient‑free ensemble Kalman update while maintaining exactness. In experiments on a non‑differentiable Navier‑Stokes initial‑condition recovery problem, Diffusion Waltz outperforms existing baselines across various noise and nonlinearity regimes.

By So Takao, Gregory David Bellchambers, Luke Ye, Sanmitra Ghosh, Michalis Michaelides