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Current state-of-the-art generative models map noise to data distributions by matching flows or scores. A key limitation of these models is their inability to readily integrate available partial observations and additional priors. In…

Object pose estimation is a fundamental problem in computer vision and plays a critical role in virtual reality and embodied intelligence, where agents must understand and interact with objects in 3D space. Recently, score based generative…

Computer Vision and Pattern Recognition · Computer Science 2026-02-06 Diya He , Qingchen Liu , Cong Zhang , Jiahu Qin

Despite Flow Matching and diffusion models having emerged as powerful generative paradigms for continuous variables such as images and videos, their application to high-dimensional discrete data, such as language, is still limited. In this…

Machine Learning · Computer Science 2024-11-06 Itai Gat , Tal Remez , Neta Shaul , Felix Kreuk , Ricky T. Q. Chen , Gabriel Synnaeve , Yossi Adi , Yaron Lipman

We present a framework for fine-tuning flow-matching generative models to enforce physical constraints and solve inverse problems in scientific systems. Starting from a model trained on low-fidelity or observational data, we apply a…

Machine Learning · Computer Science 2026-01-28 Jan Tauberschmidt , Sophie Fellenz , Sebastian J. Vollmer , Andrew B. Duncan

Probabilistic Latent Variable Models (LVMs) excel at modeling complex, high-dimensional data through lower-dimensional representations. Recent advances show that equipping these latent representations with a Riemannian metric unlocks…

Machine Learning · Computer Science 2025-05-20 Luis Augenstein , Noémie Jaquier , Tamim Asfour , Leonel Rozo

Discrete diffusion and flow matching models capture complex, non-additive and non-autoregressive structure in high-dimensional objective landscapes through parallel, iterative refinement. However, their implicit generative nature precludes…

Machine Learning · Computer Science 2026-03-03 Yashvir S. Grewal , Daniel M. Steinberg , Thang D. Bui , Cheng Soon Ong , Edwin V. Bonilla

Allocating extra computation at inference time has recently improved sample quality in large language models and diffusion-based image generation. In parallel, Flow Matching (FM) has gained traction in language, vision, and scientific…

Machine Learning · Computer Science 2025-10-21 Adam Stecklov , Noah El Rimawi-Fine , Mathieu Blanchette

Flow Matching (FM) is an effective framework for training a model to learn a vector field that transports samples from a source distribution to a target distribution. To train the model, early FM methods use random couplings, which often…

Computer Vision and Pattern Recognition · Computer Science 2025-05-30 Yexiong Lin , Yu Yao , Tongliang Liu

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

Continuous normalizing flows (CNFs) learn an ordinary differential equation to transform prior samples into data. Flow matching (FM) has recently emerged as a simulation-free approach for training CNFs by regressing a velocity model towards…

Machine Learning · Statistics 2024-05-28 Tianyu Xie , Yu Zhu , Longlin Yu , Tong Yang , Ziheng Cheng , Shiyue Zhang , Xiangyu Zhang , Cheng Zhang

Deep generative models that produce novel molecular structures have the potential to facilitate chemical discovery. Flow matching is a recently proposed generative modeling framework that has achieved impressive performance on a variety of…

Machine Learning · Computer Science 2024-11-26 Ian Dunn , David R. Koes

Persistent homology (PH) is a method for generating topology-inspired representations of data. Empirical studies that investigate the properties of PH, such as its sensitivity to perturbations or ability to detect a feature of interest,…

Algebraic Topology · Mathematics 2024-03-05 Shuang Liang , Renata Turkeš , Jiayi Li , Nina Otter , Guido Montúfar

We introduce a generative model for protein backbone design utilizing geometric products and higher order message passing. In particular, we propose Clifford Frame Attention (CFA), an extension of the invariant point attention (IPA)…

Machine Learning · Computer Science 2024-11-11 Simon Wagner , Leif Seute , Vsevolod Viliuga , Nicolas Wolf , Frauke Gräter , Jan Stühmer

Conventional diffusion models typically relies on a fixed forward process, which implicitly defines complex marginal distributions over latent variables. This can often complicate the reverse process' task in learning generative…

Machine Learning · Statistics 2025-06-10 Grigory Bartosh , Dmitry Vetrov , Christian A. Naesseth

Data today is decentralized, generated and stored across devices and institutions where privacy, ownership, and regulation prevent centralization. This motivates the need to train generative models directly from distributed data locally…

Machine Learning · Computer Science 2025-09-26 Zifan Wang , Anqi Dong , Mahmoud Selim , Michael M. Zavlanos , Karl H. Johansson

Conditional Flow Matching (CFM) unifies conventional generative paradigms such as diffusion models and flow matching. Interaction Field Matching (IFM) is a newer framework that generalizes Electrostatic Field Matching (EFM) rooted in…

Machine Learning · Computer Science 2026-02-03 Daniil Shlenskii , Alexander Varlamov , Nazar Buzun , Alexander Korotin

Designing ligand-binding proteins, such as enzymes and biosensors, is essential in bioengineering and protein biology. One critical step in this process involves designing protein pockets, the protein interface binding with the ligand.…

Biomolecules · Quantitative Biology 2024-10-01 Zaixi Zhang , Marinka Zitnik , Qi Liu

Learning permutations is fundamental to sorting, ranking, and matching, but existing differentiable methods based on entropy-regularized Sinkhorn produce a single softened solution and collapse under ambiguity. We present PermFlow, a…

Machine Learning · Computer Science 2026-05-19 Yimeng Min , Carla P. Gomes

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

This paper presents a novel non-linear model reduction method: Probabilistic Manifold Decomposition (PMD), which provides a powerful framework for constructing non-intrusive reduced-order models (ROMs) by embedding a high-dimensional system…

Numerical Analysis · Mathematics 2026-01-09 Jiaming Guo , Dunhui Xiao
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