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Graph Foundation Models (GFMs) are emerging as a significant research topic in the graph domain, aiming to develop graph models trained on extensive and diverse data to enhance their applicability across various tasks and domains.…

Machine Learning · Computer Science 2024-06-03 Haitao Mao , Zhikai Chen , Wenzhuo Tang , Jianan Zhao , Yao Ma , Tong Zhao , Neil Shah , Mikhail Galkin , Jiliang Tang

Wasserstein gradient flows (WGFs) describe the evolution of probability distributions in Wasserstein space as steepest descent dynamics for a free energy functional. Computing the full path from an arbitrary initial distribution to…

Machine Learning · Computer Science 2026-04-14 Chengyu Liu , Xiang Zhou

Controlling generative models is computationally expensive. This is because optimal alignment with a reward function--whether via inference-time steering or fine-tuning--requires estimating the value function. This task demands access to…

Machine Learning · Statistics 2026-01-22 Peter Potaptchik , Adhi Saravanan , Abbas Mammadov , Alvaro Prat , Michael S. Albergo , Yee Whye Teh

We introduce Categorical Flow Maps, a flow-matching method for accelerated few-step generation of categorical data via self-distillation. Building on recent variational formulations of flow matching and the broader trend towards accelerated…

Many measurements or observations in computer vision and machine learning manifest as non-Euclidean data. While recent proposals (like spherical CNN) have extended a number of deep neural network architectures to manifold-valued data, and…

Computer Vision and Pattern Recognition · Computer Science 2021-03-02 Xingjian Zhen , Rudrasis Chakraborty , Liu Yang , Vikas Singh

Numerous biological and physical processes can be modeled as systems of interacting entities evolving continuously over time, e.g. the dynamics of communicating cells or physical particles. Learning the dynamics of such systems is essential…

We present Functional Mean Flow (FMF) as a one-step generative model defined in infinite-dimensional Hilbert space. FMF extends the one-step Mean Flow framework to functional domains by providing a theoretical formulation for Functional…

Machine Learning · Computer Science 2025-11-18 Zhiqi Li , Yuchen Sun , Greg Turk , Bo Zhu

Rapid and accurate simulations of fluid dynamics around complicated geometric bodies are critical in a variety of engineering and scientific applications, including aerodynamics and biomedical flows. However, while scientific machine…

We propose a novel Particle Flow Map (PFM) method to enable accurate long-range advection for incompressible fluid simulation. The foundation of our method is the observation that a particle trajectory generated in a forward simulation…

Graphics · Computer Science 2024-05-17 Junwei Zhou , Duowen Chen , Molin Deng , Yitong Deng , Yuchen Sun , Sinan Wang , Shiying Xiong , Bo Zhu

Modern generative models can produce realistic samples, however, balancing memorisation and generalisation remains an open problem. We approach this challenge from a Bayesian perspective by focusing on the parameter space of flow matching…

Data-driven Riemannian geometry has emerged as a powerful tool for interpretable representation learning, offering improved efficiency in downstream tasks. Moving forward, it is crucial to balance cheap manifold mappings with efficient…

Machine Learning · Computer Science 2025-05-26 Willem Diepeveen , Georgios Batzolis , Zakhar Shumaylov , Carola-Bibiane Schönlieb

Latent variable models are powerful tools for learning low-dimensional manifolds from high-dimensional data. However, when dealing with constrained data such as unit-norm vectors or symmetric positive-definite matrices, existing approaches…

Machine Learning · Computer Science 2025-03-10 Leonel Rozo , Miguel González-Duque , Noémie Jaquier , Søren Hauberg

The scarcity of labeled data is a long-standing challenge for many machine learning tasks. We propose our gradient flow method to leverage the existing dataset (i.e., source) to generate new samples that are close to the dataset of interest…

Machine Learning · Computer Science 2023-11-06 Xinru Hua , Truyen Nguyen , Tam Le , Jose Blanchet , Viet Anh Nguyen

Realistic human geometry generation is an important yet challenging task, requiring both the preservation of fine clothing details and the accurate modeling of clothing-body interactions. To tackle this challenge, we build upon Geometry…

Computer Vision and Pattern Recognition · Computer Science 2026-05-01 Xiangjun Tang , Biao Zhang , Peter Wonka

Generative modeling over discrete data has recently seen numerous success stories, with applications spanning language modeling, biological sequence design, and graph-structured molecular data. The predominant generative modeling paradigm…

Machine Learning · Computer Science 2024-11-01 Oscar Davis , Samuel Kessler , Mircea Petrache , İsmail İlkan Ceylan , Michael Bronstein , Avishek Joey Bose

What is the shortest path between two data points lying in a high-dimensional space? While the answer is trivial in Euclidean geometry, it becomes significantly more complex when the data lies on a curved manifold -- requiring a Riemannian…

Machine Learning · Computer Science 2025-11-04 Louis Béthune , David Vigouroux , Yilun Du , Rufin VanRullen , Thomas Serre , Victor Boutin

This paper presents a novel paradigm in simulation-based engineering sciences by introducing a new framework called Generative Parametric Design (GPD). The GPD framework enables the generation of new designs along with their corresponding…

Computational Engineering, Finance, and Science · Computer Science 2025-12-15 Mohammed El Fallaki Idrissi , Jad Mounayer , Sebastian Rodriguez , Fodil Meraghni , Francisco Chinesta

Flow maps enable high-quality image generation in a single forward pass. However, unlike iterative diffusion models, their lack of an explicit sampling trajectory impedes incorporating external constraints for conditional generation and…

Computer Vision and Pattern Recognition · Computer Science 2026-03-10 Abbas Mammadov , So Takao , Bohan Chen , Ricardo Baptista , Morteza Mardani , Yee Whye Teh , Julius Berner

Accurately modeling and predicting complex dynamical systems, particularly those involving force exchange and dissipation, is crucial for applications ranging from fluid dynamics to robotics, but presents significant challenges due to the…

Robotics · Computer Science 2025-06-24 Andrea Testa , Søren Hauberg , Tamim Asfour , Leonel Rozo

An increasingly common viewpoint is that protein dynamics data sets reside in a non-linear subspace of low conformational energy. Ideal data analysis tools for such data sets should therefore account for such non-linear geometry. The…

Biomolecules · Quantitative Biology 2023-10-27 Willem Diepeveen , Carlos Esteve-Yagüe , Jan Lellmann , Ozan Öktem , Carola-Bibiane Schönlieb
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