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We propose a thermodynamics-based learning strategy for non-equilibrium evolution equations based on Onsager's variational principle, which allows to write such PDEs in terms of two potentials: the free energy and the dissipation potential.…

Mathematical Physics · Physics 2022-04-20 Shenglin Huang , Zequn He , Bryan Chem , Celia Reina

Diffusion models have shown incredible capabilities as generative models; indeed, they power the current state-of-the-art models on text-conditioned image generation such as Imagen and DALL-E 2. In this work we review, demystify, and unify…

Machine Learning · Computer Science 2022-08-26 Calvin Luo

Diffusion models are a powerful tool for probabilistic forecasting, yet most applications in high-dimensional complex systems predict future states individually. This approach struggles to model complex temporal dependencies and fails to…

Machine Learning · Computer Science 2025-12-10 Salva Rühling Cachay , Miika Aittala , Karsten Kreis , Noah Brenowitz , Arash Vahdat , Morteza Mardani , Rose Yu

Estimating and disentangling epistemic uncertainty, uncertainty that is reducible with more training data, and aleatoric uncertainty, uncertainty that is inherent to the task at hand, is critically important when applying machine learning…

Machine Learning · Computer Science 2024-11-08 Matthew A. Chan , Maria J. Molina , Christopher A. Metzler

This work introduces Variational Diffusion Distillation (VDD), a novel method that distills denoising diffusion policies into Mixtures of Experts (MoE) through variational inference. Diffusion Models are the current state-of-the-art in…

Machine Learning · Computer Science 2024-10-22 Hongyi Zhou , Denis Blessing , Ge Li , Onur Celik , Xiaogang Jia , Gerhard Neumann , Rudolf Lioutikov

Diffusion models (DMs) excel in image generation but suffer from slow inference and training-inference discrepancies. Although gradient-based solvers for DMs accelerate denoising inference, they often lack theoretical foundations in…

Computer Vision and Pattern Recognition · Computer Science 2026-02-04 Shigui Li , Wei Chen , Delu Zeng

Diffusion models may be viewed as hierarchical variational autoencoders (VAEs) with two improvements: parameter sharing for the conditional distributions in the generative process and efficient computation of the loss as independent terms…

Machine Learning · Computer Science 2025-10-20 Beatrix M. G. Nielsen , Anders Christensen , Andrea Dittadi , Ole Winther

The data-driven discovery of long-time macroscopic dynamics and thermodynamics of dissipative systems with particle fidelity is hampered by significant obstacles. These include the strong time-scale limitations inherent to particle…

Machine Learning · Computer Science 2025-05-21 Zequn He , Celia Reina

While energy-based models (EBMs) exhibit a number of desirable properties, training and sampling on high-dimensional datasets remains challenging. Inspired by recent progress on diffusion probabilistic models, we present a diffusion…

Machine Learning · Computer Science 2021-03-30 Ruiqi Gao , Yang Song , Ben Poole , Ying Nian Wu , Diederik P. Kingma

Diffusion models (DMs) are a class of generative machine learning methods that sample a target distribution by transforming samples of a trivial (often Gaussian) distribution using a learned stochastic differential equation. In standard…

Statistical Mechanics · Physics 2024-08-15 Luke Causer , Grant M. Rotskoff , Juan P. Garrahan

Diffusion models (DMs) have revolutionized generative learning. They utilize a diffusion process to encode data into a simple Gaussian distribution. However, encoding a complex, potentially multimodal data distribution into a single…

Machine Learning · Computer Science 2024-07-04 Yilun Xu , Gabriele Corso , Tommi Jaakkola , Arash Vahdat , Karsten Kreis

Interpreting EEG signals linked to spoken language presents a complex challenge, given the data's intricate temporal and spatial attributes, as well as the various noise factors. Denoising diffusion probabilistic models (DDPMs), which have…

Computation and Language · Computer Science 2023-11-15 Soowon Kim , Seo-Hyun Lee , Young-Eun Lee , Ji-Won Lee , Ji-Ha Park , Seong-Whan Lee

Diffusion models have recently emerged as powerful stochastic frameworks for high-dimensional inference and generation. However, existing applications to partial differential equations (PDEs) predominantly rely on physics-informed training…

Numerical Analysis · Mathematics 2026-04-03 Yi Bing , Liu Jia , Fu Jinyang , Peng Xiang

Diffusion models have emerged as powerful generative tools with applications in computer vision and scientific machine learning (SciML), where they have been used to solve large-scale probabilistic inverse problems. Traditionally, these…

Machine learning applications require fast and reliable per-sample uncertainty estimation. A common approach is to use predictive distributions from Bayesian or approximation methods and additively decompose uncertainty into aleatoric…

Machine Learning · Computer Science 2026-02-10 H. Martin Gillis , Isaac Xu , Thomas Trappenberg

Generative models for quantum data pose significant challenges but hold immense potential in fields such as chemoinformatics and quantum physics. Quantum denoising diffusion probabilistic models (QuDDPMs) enable efficient learning of…

Quantum Physics · Physics 2026-03-03 Quoc Hoan Tran , Koki Chinzei , Yasuhiro Endo , Hirotaka Oshima

Diffusion models (DMs) have achieved state-of-the-art results for image synthesis tasks as well as density estimation. Applied in the latent space of a powerful pretrained autoencoder (LDM), their immense computational requirements can be…

Computer Vision and Pattern Recognition · Computer Science 2022-10-21 Jeremias Traub

Discrete diffusion models have recently shown great promise for modeling complex discrete data, with masked diffusion models (MDMs) offering a compelling trade-off between quality and generation speed. MDMs denoise by progressively…

Machine Learning · Computer Science 2026-04-15 Tianyu Xie , Shuchen Xue , Zijin Feng , Tianyang Hu , Jiacheng Sun , Zhenguo Li , Cheng Zhang

Modeling complex spatiotemporal dynamical systems, such as the reaction-diffusion processes, have largely relied on partial differential equations (PDEs). However, due to insufficient prior knowledge on some under-explored dynamical…

Machine Learning · Computer Science 2023-05-23 Chengping Rao , Pu Ren , Qi Wang , Oral Buyukozturk , Hao Sun , Yang Liu

Accurate prediction of physical fields is critical in various engineering applications, including thermal management in electronic systems, airfoil shape optimization in aerospace, and flow field control in hypersonic vehicles. This study…

Fluid Dynamics · Physics 2026-03-12 Yuan Jia , Chi Zhang , Hao Ma , Qiao Zhang , Kai Liu , Chih-Yung Wen
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