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We tackle the problem of sampling from intractable high-dimensional density functions, a fundamental task that often appears in machine learning and statistics. We extend recent sampling-based approaches that leverage controlled stochastic…

Machine Learning · Computer Science 2024-03-12 Dinghuai Zhang , Ricky T. Q. Chen , Cheng-Hao Liu , Aaron Courville , Yoshua Bengio

Flow-matching generative models are increasingly used to simulate cell responses to biological perturbations. However, the design space for building such models is large and underexplored. We systematically analyse the design space of flow…

Computer Vision and Pattern Recognition · Computer Science 2026-03-31 Charles Jones , Emmanuel Noutahi , Jason Hartford , Cian Eastwood

In generative models, two paradigms have gained attraction in various applications: next-set prediction-based Masked Generative Models and next-noise prediction-based Non-Autoregressive Models, e.g., Diffusion Models. In this work, we…

Computer Vision and Pattern Recognition · Computer Science 2024-12-11 Vincent Tao Hu , Björn Ommer

Generating high-quality time series data has emerged as a critical research topic due to its broad utility in supporting downstream time series mining tasks. A major challenge lies in modeling the intrinsic stochasticity of temporal…

Artificial Intelligence · Computer Science 2025-11-20 He Panjing , Cheng Mingyue , Li Li , Zhang XiaoHan

Distribution Matching Distillation (DMD) distills score-based generative models into efficient one-step generators, without requiring a one-to-one correspondence with the sampling trajectories of their teachers. Yet, the limited capacity of…

Computer Vision and Pattern Recognition · Computer Science 2026-03-26 Xiangyu Fan , Zesong Qiu , Zhuguanyu Wu , Fanzhou Wang , Zhiqian Lin , Tianxiang Ren , Dahua Lin , Ruihao Gong , Lei Yang

Diffusion models (DMs) are a powerful generative framework that have attracted significant attention in recent years. However, the high computational cost of training DMs limits their practical applications. In this paper, we start with a…

Machine Learning · Computer Science 2024-04-12 Tianshuo Xu , Peng Mi , Ruilin Wang , Yingcong Chen

Deep generative models (DGM) are neural networks with many hidden layers trained to approximate complicated, high-dimensional probability distributions using a large number of samples. When trained successfully, we can use the DGMs to…

Machine Learning · Computer Science 2021-04-13 Lars Ruthotto , Eldad Haber

The harnessing of machine learning, especially deep generative models, has opened up promising avenues in the field of synthetic DNA sequence generation. Whilst Generative Adversarial Networks (GANs) have gained traction for this…

Machine Learning · Computer Science 2023-12-27 Zehui Li , Yuhao Ni , Tim August B. Huygelen , Akashaditya Das , Guoxuan Xia , Guy-Bart Stan , Yiren Zhao

Diffusion Generative Models (DGM) have rapidly surfaced as emerging topics in the field of computer vision, garnering significant interest across a wide array of deep learning applications. Despite their high computational demand, these…

Image and Video Processing · Electrical Eng. & Systems 2024-11-26 Denisha Thakkar , Vincent Quoc-Huy Trinh , Sonal Varma , Samira Ebrahimi Kahou , Hassan Rivaz , Mahdi S. Hosseini

Latent diffusion models (LDMs) dominate high-quality image generation, yet integrating representation learning with generative modeling remains a challenge. We introduce a novel generative image modeling framework that seamlessly bridges…

Computer Vision and Pattern Recognition · Computer Science 2026-01-23 Theodoros Kouzelis , Efstathios Karypidis , Ioannis Kakogeorgiou , Spyros Gidaris , Nikos Komodakis

Simulating trajectories of dynamical systems is a fundamental problem in a wide range of fields such as molecular dynamics, biochemistry, and pedestrian dynamics. Machine learning has become an invaluable tool for scaling physics-based…

Machine Learning · Computer Science 2026-05-28 Kiet Bennema ten Brinke , Koen Minartz , Vlado Menkovski

Protein sequence generation for engineering requires samples that are biophysically plausible and, when targeting a family/domain, remain recognizable members while exploring within-family diversity. Current discrete generative models…

Computational Engineering, Finance, and Science · Computer Science 2026-05-25 Langzhang Liang , Ming Yang , Yi Feng , Junfan Li , Shirui Pan , Yinghui Xu , Tianlei Ying , Yizhen Zheng , Zenglin Xu

In this work, we aimed to replicate and extend the results presented in the DiffFluid paper[1]. The DiffFluid model showed that diffusion models combined with Transformers are capable of predicting fluid dynamics. It uses a denoising…

Fluid Dynamics · Physics 2025-07-14 Yannick Gachnang , Vismay Churiwala

Many generative applications, such as synthesis-based 3D molecular design, involve constructing compositional objects with continuous features. Here, we introduce Compositional Generative Flows (CGFlow), a novel framework that extends flow…

Machine Learning · Computer Science 2025-07-16 Tony Shen , Seonghwan Seo , Ross Irwin , Kieran Didi , Simon Olsson , Woo Youn Kim , Martin Ester

Despite the proliferation of generative models, achieving fast sampling during inference without compromising sample diversity and quality remains challenging. Existing models such as Denoising Diffusion Probabilistic Models (DDPM) deliver…

Machine Learning · Computer Science 2023-10-12 Yanwu Xu , Mingming Gong , Shaoan Xie , Wei Wei , Matthias Grundmann , Kayhan Batmanghelich , Tingbo Hou

Generating diverse, all-atom conformational ensembles of dynamic proteins such as G-protein-coupled receptors (GPCRs) is critical for understanding their function, yet most generative models simplify atomic detail or ignore conformational…

Biomolecules · Quantitative Biology 2025-08-19 Aditya Sengar , Ali Hariri , Daniel Probst , Patrick Barth , Pierre Vandergheynst

Modern successes of diffusion models in learning complex, high-dimensional data distributions are attributed, in part, to their capability to construct diffusion processes with analytic transition kernels and score functions. The…

Machine Learning · Statistics 2024-03-01 Guan-Horng Liu , Tianrong Chen , Evangelos A. Theodorou , Molei Tao

We introduce a new family of physics-inspired generative models termed PFGM++ that unifies diffusion models and Poisson Flow Generative Models (PFGM). These models realize generative trajectories for $N$ dimensional data by embedding paths…

Machine Learning · Computer Science 2023-02-13 Yilun Xu , Ziming Liu , Yonglong Tian , Shangyuan Tong , Max Tegmark , Tommi Jaakkola

Diffusion models have demonstrated remarkable performance in generating unimodal data across various tasks, including image, video, and text generation. On the contrary, the joint generation of multimodal data through diffusion models is…

Machine Learning · Computer Science 2025-06-16 Kevin Rojas , Yuchen Zhu , Sichen Zhu , Felix X. -F. Ye , Molei Tao

While normalizing flows have led to significant advances in modeling high-dimensional continuous distributions, their applicability to discrete distributions remains unknown. In this paper, we show that flows can in fact be extended to…

Machine Learning · Computer Science 2019-05-27 Dustin Tran , Keyon Vafa , Kumar Krishna Agrawal , Laurent Dinh , Ben Poole