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Conditional flow matching (CFM) stands out as an efficient, simulation-free approach for training flow-based generative models, achieving remarkable performance for data generation. However, CFM is insufficient to ensure accuracy in…

Machine Learning · Computer Science 2026-02-03 Yuhao Huang , Taos Transue , Shih-Hsin Wang , William Feldman , Hong Zhang , Bao Wang

Molecular structure generation is a fundamental problem that involves determining the 3D positions of molecules' constituents. It has crucial biological applications, such as molecular docking, protein folding, and molecular design. Recent…

Machine Learning · Computer Science 2025-08-27 Wenyin Zhou , Christopher Iliffe Sprague , Vsevolod Viliuga , Matteo Tadiello , Arne Elofsson , Hossein Azizpour

Generative models for sequential data often struggle with sparsely sampled and high-dimensional trajectories, typically reducing the learning of dynamics to pairwise transitions. We propose Interpolative Multi-Marginal Flow Matching…

Discrete flow-based models are a recently proposed class of generative models that learn invertible transformations for discrete random variables. Since they do not require data dequantization and maximize an exact likelihood objective,…

Machine Learning · Computer Science 2021-07-27 Alexandra Lindt , Emiel Hoogeboom

Generative policies based on diffusion models and flow matching have shown strong promise for offline reinforcement learning (RL), but their applicability remains largely confined to continuous action spaces. To address a broader range of…

Machine Learning · Computer Science 2026-05-14 Fairoz Nower Khan , Nabuat Zaman Nahim , Ruiquan Huang , Haibo Yang , Peizhong Ju

Sampling useful three-dimensional molecular structures along with their most favorable conformations is a key challenge in drug discovery. Current state-of-the-art 3D de-novo design flow matching or diffusion-based models are limited to…

Machine Learning · Computer Science 2025-11-24 Riccardo Tedoldi , Ola Engkvist , Patrick Bryant , Hossein Azizpour , Jon Paul Janet , Alessandro Tibo

Diffusion and flow matching models have significantly advanced media generation, yet their design space is well-explored, somewhat limiting further improvements. Concurrently, autoregressive (AR) models, particularly those generating…

Machine Learning · Computer Science 2025-07-01 Neta Shaul , Uriel Singer , Itai Gat , Yaron Lipman

Deep learning models have emerged as a powerful tool for various medical applications. However, their success depends on large, high-quality datasets that are challenging to obtain due to privacy concerns and costly annotation. Generative…

Computer Vision and Pattern Recognition · Computer Science 2025-03-04 Milad Yazdani , Yasamin Medghalchi , Pooria Ashrafian , Ilker Hacihaliloglu , Dena Shahriari

Gen-Swarms is an innovative method that leverages and combines the capabilities of deep generative models with reactive navigation algorithms to automate the creation of drone shows. Advancements in deep generative models, particularly…

We introduce a novel generative model for the representation of joint probability distributions of a possibly large number of discrete random variables. The approach uses measure transport by randomized assignment flows on the statistical…

Machine Learning · Statistics 2025-01-15 Bastian Boll , Daniel Gonzalez-Alvarado , Stefania Petra , Christoph Schnörr

Masked diffusion models (MDM) are powerful generative models for discrete data that generate samples by progressively unmasking tokens in a sequence. Each token can take one of two states: masked or unmasked. We observe that token sequences…

Machine Learning · Computer Science 2025-10-23 Chen-Hao Chao , Wei-Fang Sun , Hanwen Liang , Chun-Yi Lee , Rahul G. Krishnan

Diffusion models have revolutionized generative tasks through high-fidelity outputs, yet flow matching (FM) offers faster inference and empirical performance gains. However, current foundation FM models are computationally prohibitive for…

Computer Vision and Pattern Recognition · Computer Science 2025-06-04 Johannes Schusterbauer , Ming Gui , Frank Fundel , Björn Ommer

Graph generative models are essential across diverse scientific domains by capturing complex distributions over relational data. Among them, graph diffusion models achieve superior performance but face inefficient sampling and limited…

Machine Learning · Computer Science 2025-06-17 Yiming Qin , Manuel Madeira , Dorina Thanou , Pascal Frossard

Deep generative models such as flow and diffusion models have proven to be effective in modeling high-dimensional and complex data types such as videos or proteins, and this has motivated their use in different data modalities, such as…

Machine Learning · Computer Science 2025-04-08 Ege Erdogan

Denoising diffusion probabilistic models (DDPMs) (Ho et al. 2020) have shown impressive results on image and waveform generation in continuous state spaces. Here, we introduce Discrete Denoising Diffusion Probabilistic Models (D3PMs),…

Machine Learning · Computer Science 2023-02-23 Jacob Austin , Daniel D. Johnson , Jonathan Ho , Daniel Tarlow , Rianne van den Berg

While denoising diffusion and flow matching have driven major advances in generative modeling, their application to tabular data remains limited, despite its ubiquity in real-world applications. To this end, we develop TabbyFlow, a…

Machine Learning · Computer Science 2025-10-06 Andrés Guzmán-Cordero , Floor Eijkelboom , Jan-Willem van de Meent

Recent advances in generative modeling -- particularly diffusion models and flow matching -- have achieved remarkable success in synthesizing discrete data such as images and videos. However, adapting these models to physical applications…

Machine Learning · Computer Science 2025-11-26 Sifan Wang , Zehao Dou , Siming Shan , Tong-Rui Liu , Lu Lu

The design of protein sequences with desired functionalities is a fundamental task in protein engineering. Deep generative methods, such as autoregressive models and diffusion models, have greatly accelerated the discovery of novel protein…

Machine Learning · Computer Science 2025-04-16 Zitai Kong , Yiheng Zhu , Yinlong Xu , Hanjing Zhou , Mingzhe Yin , Jialu Wu , Hongxia Xu , Chang-Yu Hsieh , Tingjun Hou , Jian Wu

Prior masked modeling motion generation methods predominantly study text-to-motion. We present DiMo, a discrete diffusion-style framework, which extends masked modeling to bidirectional text--motion understanding and generation. Unlike…

Computer Vision and Pattern Recognition · Computer Science 2026-02-09 Ning Zhang , Zhengyu Li , Kwong Weng Loh , Mingxi Xu , Qi Wang , Zhengyu Wen , Xiaoyu He , Wei Zhao , Kehong Gong , Mingyuan Zhang

Generative diffusion models have achieved remarkable success in producing high-quality images. However, these models typically operate in continuous intensity spaces, diffusing independently across pixels and color channels. As a result,…

Graphics · Computer Science 2025-05-20 Javier E. Santos , Agnese Marcato , Roman Colman , Nicholas Lubbers , Yen Ting Lin