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Two fundamental problems in unsupervised learning are efficient inference for latent-variable models and robust density estimation based on large amounts of unlabeled data. Algorithms for the two tasks, such as normalizing flows and…

Machine Learning · Statistics 2018-08-02 Changyou Chen , Chunyuan Li , Liqun Chen , Wenlin Wang , Yunchen Pu , Lawrence Carin

Modern generative modeling methods have demonstrated strong performance in learning complex data distributions from clean samples. In many scientific and imaging applications, however, clean samples are unavailable, and only noisy or…

Machine Learning · Computer Science 2026-05-29 Willem Diepeveen , Oscar Leong

Diffusion and flow-based generative models have achieved remarkable success in domains such as image synthesis, video generation, and natural language modeling. In this work, we extend these advances to weight space learning by leveraging…

Machine Learning · Computer Science 2025-10-17 Daniel Saragih , Deyu Cao , Tejas Balaji

Multiresolution Matrix Factorization (MMF) is unusual amongst fast matrix factorization algorithms in that it does not make a low rank assumption. This makes MMF especially well suited to modeling certain types of graphs with complex…

Machine Learning · Computer Science 2021-11-04 Truong Son Hy , Risi Kondor

In many applications in engineering and sciences analysts have simultaneous access to multiple data sources. In such cases, the overall cost of acquiring information can be reduced via data fusion or multi-fidelity (MF) modeling where one…

Machine Learning · Computer Science 2023-07-26 Carlos Mora , Jonathan Tammer Eweis-Labolle , Tyler Johnson , Likith Gadde , Ramin Bostanabad

We present a framework for learning probability distributions on topologically non-trivial manifolds, utilizing normalizing flows. Current methods focus on manifolds that are homeomorphic to Euclidean space, enforce strong structural priors…

Machine Learning · Computer Science 2022-07-12 Dimitris Kalatzis , Johan Ziruo Ye , Alison Pouplin , Jesper Wohlert , Søren Hauberg

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

Normalizing Flows are a promising new class of algorithms for unsupervised learning based on maximum likelihood optimization with change of variables. They offer to learn a factorized component representation for complex nonlinear data and,…

Machine Learning · Computer Science 2020-02-17 Reuben Feinman , Nikhil Parthasarathy

Normalizing flows are invertible neural networks with tractable change-of-volume terms, which allow optimization of their parameters to be efficiently performed via maximum likelihood. However, data of interest are typically assumed to live…

Machine Learning · Statistics 2021-11-04 Anthony L. Caterini , Gabriel Loaiza-Ganem , Geoff Pleiss , John P. Cunningham

Machine Learning Force Fields (MLFFs) are a promising alternative to expensive ab initio quantum mechanical molecular simulations. Given the diversity of chemical spaces that are of interest and the cost of generating new data, it is…

Machine Learning · Computer Science 2025-05-30 Tobias Kreiman , Aditi S. Krishnapriyan

Multiresolution Matrix Factorization (MMF) is unusual amongst fast matrix factorization algorithms in that it does not make a low rank assumption. This makes MMF especially well suited to modeling certain types of graphs with complex…

Machine Learning · Computer Science 2024-08-20 Truong Son Hy , Thieu Khang , Risi Kondor

Learning mappings of data on manifolds is an important topic in contemporary machine learning, with applications in astrophysics, geophysics, statistical physics, medical diagnosis, biochemistry, 3D object analysis. This paper studies the…

Numerical Analysis · Mathematics 2020-07-21 Guido Montúfar , Yu Guang Wang

A generative modeling framework is proposed that combines diffusion models and manifold learning to efficiently sample data densities on manifolds. The approach utilizes Diffusion Maps to uncover possible low-dimensional underlying (latent)…

Machine Learning · Computer Science 2025-04-22 Dimitris G. Giovanis , Ellis Crabtree , Roger G. Ghanem , Ioannis G. Kevrekidis

Diffusion and flow matching approaches to generative modeling have shown promise in domains where the state space is continuous, such as image generation or protein folding & design, and discrete, exemplified by diffusion large language…

Flow Matching (FM) is a simulation-free method for learning a continuous and invertible flow to interpolate between two distributions, and in particular to generate data from noise. Inspired by the variational nature of the diffusion…

Machine Learning · Statistics 2025-07-14 Chen Xu , Xiuyuan Cheng , Yao Xie

We formulate well-posed continuous-time generative flows for learning distributions that are supported on low-dimensional manifolds through Wasserstein proximal regularizations of $f$-divergences. Wasserstein-1 proximal operators regularize…

Machine Learning · Statistics 2024-07-17 Hyemin Gu , Markos A. Katsoulakis , Luc Rey-Bellet , Benjamin J. Zhang

Based on the manifold hypothesis, real-world data often lie on a low-dimensional manifold, while normalizing flows as a likelihood-based generative model are incapable of finding this manifold due to their structural constraints. So, one…

Machine Learning · Computer Science 2022-06-08 Seyedeh Fatemeh Razavi , Mohammad Mahdi Mehmanchi , Reshad Hosseini , Mostafa Tavassolipour

Normalizing flow (NF) has gained popularity over traditional maximum likelihood based methods due to its strong capability to model complex data distributions. However, the standard approach, which maps the observed data to a normal…

Machine Learning · Computer Science 2022-11-22 Hanze Dong , Shizhe Diao , Weizhong Zhang , Tong Zhang

Geometric data and purpose-built generative models on them have become ubiquitous in high-impact deep learning application domains, ranging from protein backbone generation and computational chemistry to geospatial data. Current geometric…

Machine Learning · Computer Science 2026-02-10 Oscar Davis , Michael S. Albergo , Nicholas M. Boffi , Michael M. Bronstein , Avishek Joey Bose

Normalizing Flows explicitly maximize a full-dimensional likelihood on the training data. However, real data is typically only supported on a lower-dimensional manifold leading the model to expend significant compute on modeling noise.…

Machine Learning · Computer Science 2024-06-28 Peter Sorrenson , Felix Draxler , Armand Rousselot , Sander Hummerich , Lea Zimmermann , Ullrich Köthe