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Deep generative models have recently been applied to physical systems governed by partial differential equations (PDEs), offering scalable simulation and uncertainty-aware inference. However, enforcing physical constraints, such as…

Machine Learning · Computer Science 2025-11-27 Utkarsh Utkarsh , Pengfei Cai , Alan Edelman , Rafael Gomez-Bombarelli , Christopher Vincent Rackauckas

A machine learning method to predict steady external fluid flows using elliptic input features is introduced. Using data from as few as one high-fidelity simulation, the proposed method produces models generalizable under changes to…

In the realm of Artificial Intelligence Generated Content (AIGC), flow-matching models have emerged as a powerhouse, achieving success due to their robust theoretical underpinnings and solid ability for large-scale generative modeling.…

Computer Vision and Pattern Recognition · Computer Science 2024-10-28 Zemin Huang , Zhengyang Geng , Weijian Luo , Guo-jun Qi

Elementary flux modes (EFMs) are pathways through a metabolic reaction network that connect external substrates to products. Using EFMs, a metabolic network can be transformed into its macroscopic counterpart, in which the internal…

Optimization and Control · Mathematics 2014-10-13 Hildur Æsa Oddsdóttir , Erika Hagrot , Véronique Chotteau , Anders Forsgren

We consider the problem of designing constraint-aware flow matching (FM) models that address the issue of constraint violations commonly observed in vanilla generative models. We consider two scenarios, viz.: (a) when a differentiable…

Machine Learning · Computer Science 2026-05-01 Zhengyan Huan , Jacob Boerma , Li-Ping Liu , Shuchin Aeron

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

Flow Matching (FM) (also referred to as stochastic interpolants or rectified flows) stands out as a class of generative models that aims to bridge in finite time the target distribution $\nu^\star$ with an auxiliary distribution $\mu$,…

Machine Learning · Statistics 2024-09-16 Marta Gentiloni Silveri , Giovanni Conforti , Alain Durmus

The use of guidance to steer sampling toward desired outcomes has been widely explored within diffusion models, especially in applications such as image and trajectory generation. However, incorporating guidance during training remains…

Machine Learning · Computer Science 2025-05-21 Marvin Alles , Nutan Chen , Patrick van der Smagt , Botond Cseke

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

Graph generation has emerged as a critical task in fields ranging from drug discovery to circuit design. Contemporary approaches, notably diffusion and flow-based models, have achieved solid graph generative performance through constructing…

Machine Learning · Computer Science 2026-03-06 Keyue Jiang , Jiahao Cui , Xiaowen Dong , Laura Toni

We propose Pullback Flow Matching (PFM), a novel framework for generative modeling on data manifolds. Unlike existing methods that assume or learn restrictive closed-form manifold mappings for training Riemannian Flow Matching (RFM) models,…

Machine Learning · Computer Science 2025-07-10 Friso de Kruiff , Erik Bekkers , Ozan Öktem , Carola-Bibiane Schönlieb , Willem Diepeveen

Flow-based models have proven successful for time-series generation, particularly when defined in lower-dimensional latent spaces that enable efficient sampling. However, how to design latent representations with desirable equivariance…

Machine Learning · Computer Science 2026-02-02 Camilo Carvajal Reyes , Felipe Tobar

Graph-structured data jointly contain discrete topology and continuous geometry, which poses fundamental challenges for generative modeling due to heterogeneous distributions, incompatible noise dynamics, and the need for equivariant…

Machine Learning · Computer Science 2026-04-10 Rongjian Xu , Teng Pang , Zhiqiang Dong , Guoqiang Wu

The embedded topic model (ETM) is a widely used approach that assumes the sampled document-topic distribution conforms to the logistic normal distribution for easier optimization. However, this assumption oversimplifies the real…

Computation and Language · Computer Science 2025-01-03 Wei Shao , Mingyang Liu , Linqi Song

Diffusion models and flow matching have demonstrated remarkable success in text-to-image generation. While many existing alignment methods primarily focus on fine-tuning pre-trained generative models to maximize a given reward function,…

Machine Learning · Statistics 2026-02-03 Yidong Ouyang , Liyan Xie , Hongyuan Zha , Guang Cheng

We propose Riemannian Flow Matching (RFM), a simple yet powerful framework for training continuous normalizing flows on manifolds. Existing methods for generative modeling on manifolds either require expensive simulation, are inherently…

Machine Learning · Computer Science 2024-02-27 Ricky T. Q. Chen , Yaron Lipman

Quantifying the impacts of anthropogenic global warming requires accurate Earth system model (ESM) simulations. Statistical bias correction and downscaling can be applied to reduce errors and increase the resolution of ESMs. However,…

Geophysics · Physics 2024-06-24 Philipp Hess , Niklas Boers

Energy based models (EBMs) are appealing due to their generality and simplicity in likelihood modeling, but have been traditionally difficult to train. We present techniques to scale MCMC based EBM training on continuous neural networks,…

Machine Learning · Computer Science 2020-07-01 Yilun Du , Igor Mordatch

Learning from expert demonstrations is a promising approach for training robotic manipulation policies from limited data. However, imitation learning algorithms require a number of design choices ranging from the input modality, training…

Robotics · Computer Science 2024-09-12 Eugenio Chisari , Nick Heppert , Max Argus , Tim Welschehold , Thomas Brox , Abhinav Valada

Over the past decade, advances in generative modeling, such as generative adversarial networks, masked autoencoders, and diffusion models, have significantly transformed biological research and discovery, enabling breakthroughs in molecule…

Machine Learning · Computer Science 2026-03-10 Zihao Li , Zhichen Zeng , Xiao Lin , Feihao Fang , Yanru Qu , Zhe Xu , Zhining Liu , Xuying Ning , Tianxin Wei , Ge Liu , Hanghang Tong , Jingrui He
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