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Generative AI presents chemists with novel ideas for drug design and facilitates the exploration of vast chemical spaces. Diffusion models (DMs), an emerging tool, have recently attracted great attention in drug R\&D. This paper…

Biomolecules · Quantitative Biology 2025-07-14 Peining Zhang , Daniel Baker , Minghu Song , Jinbo Bi

As one of the most popular and sought-after generative models in the recent years, diffusion models have sparked the interests of many researchers and steadily shown excellent advantage in various generative tasks such as image synthesis,…

Computer Vision and Pattern Recognition · Computer Science 2024-10-17 Zhiyuan Ma , Yuzhu Zhang , Guoli Jia , Liangliang Zhao , Yichao Ma , Mingjie Ma , Gaofeng Liu , Kaiyan Zhang , Jianjun Li , Bowen Zhou

Deep generative models such as diffusion and flow matching are powerful machine learning tools capable of learning and sampling from high-dimensional distributions. They are particularly useful when the training data appears to be…

High Energy Physics - Phenomenology · Physics 2026-04-30 Zachary Bogorad , Ibrahim Elsharkawy , Yonatan Kahn , Andrew J. Larkoski , Noam Levi

Despite the growing interest in diffusion models, gaining a deep understanding of the model class remains an elusive endeavour, particularly for the uninitiated in non-equilibrium statistical physics. Thanks to the rapid rate of progress in…

Machine Learning · Computer Science 2025-05-23 Fabio De Sousa Ribeiro , Ben Glocker

Diffusion models have established themselves as state-of-the-art generative models across various data modalities, including images and videos, due to their ability to accurately approximate complex data distributions. Unlike traditional…

Machine Learning · Computer Science 2025-10-23 Daniel Wesego

Diffusion generative models are currently the most popular generative models. However, their underlying modeling process is quite complex, and starting directly with the seminal paper Denoising Diffusion Probability Model (DDPM) can be…

Computer Vision and Pattern Recognition · Computer Science 2024-12-19 Wang Zhen , Dong Yunyun

We present two novel generative geometric deep learning frameworks, termed Flow Matching PointNet and Diffusion PointNet, for predicting fluid flow variables on irregular geometries by incorporating PointNet into flow matching and diffusion…

Computer Vision and Pattern Recognition · Computer Science 2026-01-13 Ali Kashefi

Generative models that can model and predict sequences of future events can, in principle, learn to capture complex real-world phenomena, such as physical interactions. However, a central challenge in video prediction is that the future is…

Computer Vision and Pattern Recognition · Computer Science 2020-02-13 Manoj Kumar , Mohammad Babaeizadeh , Dumitru Erhan , Chelsea Finn , Sergey Levine , Laurent Dinh , Durk Kingma

Diffusion and flow-based generative models have achieved remarkable success in domains such as image synthesis, video generation, and natural language modeling. In this work, we extend these advances to weight space learning by leveraging…

Machine Learning · Computer Science 2025-10-17 Daniel Saragih , Deyu Cao , Tejas Balaji

The reconstruction of unsteady flow fields from limited measurements is a challenging and crucial task for many engineering applications. Machine learning models are gaining popularity for solving this problem due to their ability to learn…

Fluid Dynamics · Physics 2026-01-09 Marc Amorós-Trepat , Luis Medrano-Navarro , Qiang Liu , Luca Guastoni , Nils Thuerey

In recent years, 3D vision has become a crucial field within computer vision, powering a wide range of applications such as autonomous driving, robotics, augmented reality, and medical imaging. This field relies on accurate perception,…

Computer Vision and Pattern Recognition · Computer Science 2025-04-02 Zhen Wang , Dongyuan Li , Yaozu Wu , Tianyu He , Jiang Bian , Renhe Jiang

Diffusion models have revolutionized generative modeling, enabling unprecedented realism in image and video synthesis. This success has sparked interest in leveraging their representations for visual understanding tasks. While recent works…

Computer Vision and Pattern Recognition · Computer Science 2025-03-21 Pedro Vélez , Luisa F. Polanía , Yi Yang , Chuhan Zhang , Rishabh Kabra , Anurag Arnab , Mehdi S. M. Sajjadi

Flow Matching (FM) is a simulation-free method for learning a continuous and invertible flow to interpolate between two distributions, and in particular to generate data from noise. Inspired by the variational nature of the diffusion…

Machine Learning · Statistics 2025-07-14 Chen Xu , Xiuyuan Cheng , Yao Xie

In a convergence of machine learning and biology, we reveal that diffusion models are evolutionary algorithms. By considering evolution as a denoising process and reversed evolution as diffusion, we mathematically demonstrate that diffusion…

Neural and Evolutionary Computing · Computer Science 2026-05-12 Yanbo Zhang , Benedikt Hartl , Hananel Hazan , Michael Levin

Diffusion models can learn rich representations during data generation, showing potential for Self-Supervised Learning (SSL), but they face a trade-off between generative quality and discriminative performance. Their iterative sampling also…

Machine Learning · Computer Science 2025-12-24 Kosuke Ukita , Tsuyoshi Okita

Deep generative models that produce novel molecular structures have the potential to facilitate chemical discovery. Diffusion models currently achieve state of the art performance for 3D molecule generation. In this work, we explore the use…

Biomolecules · Quantitative Biology 2024-05-01 Ian Dunn , David Ryan Koes

Diffusion models have emerged as the leading paradigm in generative modeling, excelling in various applications. Despite their success, these models often misalign with human intentions and generate results with undesired properties or even…

Machine Learning · Computer Science 2026-02-06 Buhua Liu , Shitong Shao , Bao Li , Lichen Bai , Zhiqiang Xu , Haoyi Xiong , James Kwok , Sumi Helal , Zeke Xie

Sub-visible particle analysis using flow imaging microscopy combined with deep learning has proven effective in identifying particle types, enabling the distinction of harmless components such as silicone oil from protein particles.…

Computer Vision and Pattern Recognition · Computer Science 2025-08-11 Utku Ozbulak , Michaela Cohrs , Hristo L. Svilenov , Joris Vankerschaver , Wesley De Neve

Flow Matching (FM) is a recent framework for generative modeling that has achieved state-of-the-art performance across various domains, including image, video, audio, speech, and biological structures. This guide offers a comprehensive and…

This tutorial provides an in-depth guide on inference-time guidance and alignment methods for optimizing downstream reward functions in diffusion models. While diffusion models are renowned for their generative modeling capabilities,…

Artificial Intelligence · Computer Science 2025-01-22 Masatoshi Uehara , Yulai Zhao , Chenyu Wang , Xiner Li , Aviv Regev , Sergey Levine , Tommaso Biancalani