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The generation of 3D molecules requires simultaneously deciding the categorical features~(atom types) and continuous features~(atom coordinates). Deep generative models, especially Diffusion Models (DMs), have demonstrated effectiveness in…

Machine Learning · Computer Science 2023-12-13 Yuxuan Song , Jingjing Gong , Minkai Xu , Ziyao Cao , Yanyan Lan , Stefano Ermon , Hao Zhou , Wei-Ying Ma

The generation of accurate 3D molecular conformations is a pivotal challenge in computational chemistry and drug discovery. Recently, diffusion and flow matching models have achieved remarkable success. However, there is a critical…

Machine Learning · Computer Science 2026-05-26 Yunqing Liu , Yi Zhou , Wenqi Fan

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

We propose a unified, few-step generative modeling framework based on \emph{cumulative flow maps} for long-range transport in probability space, inspired by flow-map techniques for physical transport and dynamics. At its core is a…

Machine Learning · Computer Science 2026-05-06 Zhiqi Li , Duowen Chen , Yuchen Sun , Bo Zhu

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

Generative models have proven to be an outstanding tool for representing high-dimensional probability distributions and generating realistic-looking images. An essential characteristic of generative models is their ability to produce…

Machine Learning · Computer Science 2019-11-26 Mohamed Elfeki , Camille Couprie , Morgane Riviere , Mohamed Elhoseiny

Flow-matching models have recently emerged as a powerful framework for continuous generative modeling, including 3D point cloud synthesis. However, their deployment is limited by the need for multiple sequential sampling steps at inference…

Machine Learning · Computer Science 2026-03-20 Elaheh Akbari , Shansita Sharma , Ping He , Ahmadreza Moradipari , Kyungtae Han , Hamed Pirsiavash , Yikun Bai , Soheil Kolouri

Deep generative models and neural operators have demonstrated significant potential for 3D aerodynamic inference. However, they often face inherent challenges in maintaining physical consistency and preserving high-frequency features,…

Numerical Analysis · Mathematics 2026-04-28 Ruiling Jiang , Yong Zhang , Houbiao Li

Practical garment design spans two modes: intuitive creation from high-level intent, such as a reference image or text description, and complex low-level editing across 2D sewing patterns and 3D draped geometry, which requires professional…

Graphics · Computer Science 2026-05-28 Kiyohiro Nakayama , I-Chao Shen , Ruofan Liu , Yiming Wang , Gordon Wetzstein , Takeo Igarashi

The design space of discrete-space diffusion or flow generative models are significantly less well-understood than their continuous-space counterparts, with many works focusing only on a simple masked construction. In this work, we aim to…

In this paper, we propose a simple yet effective method to represent point clouds as sets of samples drawn from a cloud-specific probability distribution. This interpretation matches intrinsic characteristics of point clouds: the number of…

Computer Vision and Pattern Recognition · Computer Science 2020-10-22 Michał Stypułkowski , Kacper Kania , Maciej Zamorski , Maciej Zięba , Tomasz Trzciński , Jan Chorowski

Learning generative models of 3D point clouds is one of the fundamental problems in 3D generative learning. One of the key properties of point clouds is their permutation invariance, i.e., changing the order of points in a point cloud does…

Computer Vision and Pattern Recognition · Computer Science 2025-02-19 Ka-Hei Hui , Chao Liu , Xiaohui Zeng , Chi-Wing Fu , Arash Vahdat

Flow matching has recently emerged as a promising alternative to diffusion-based generative models, offering faster sampling and simpler training by learning continuous flows governed by ordinary differential equations. Despite growing…

Machine Learning · Computer Science 2025-12-02 Mudit Gaur , Prashant Trivedi , Shuchin Aeron , Amrit Singh Bedi , George K. Atia , Vaneet Aggarwal

Flow-based generative models synthesize data by integrating a learned velocity field from a reference distribution to the target data distribution. Prior work has focused on endpoint metrics (e.g., fidelity, likelihood, perceptual quality)…

Machine Learning · Computer Science 2025-11-25 Ziyun Li , Ben Dai , Huancheng Hu , Henrik Boström , Soon Hoe Lim

We present Flow-Induced Diagonal Gaussian Processes (FiD-GP), a compression framework that incorporates a compact inducing weight matrix to project a neural network's weight uncertainty into a lower-dimensional subspace. Critically, FiD-GP…

Machine Learning · Computer Science 2025-10-06 Moule Lin , Andrea Patane , Weipeng Jing , Shuhao Guan , Goetz Botterweck

We introduce a latent 3D representation that models 3D surfaces as probability density functions in 3D, i.e., p(x,y,z), with flow-matching. Our representation is specifically designed for consumption by machine learning models, offering…

Computer Vision and Pattern Recognition · Computer Science 2025-03-26 Jen-Hao Rick Chang , Yuyang Wang , Miguel Angel Bautista Martin , Jiatao Gu , Xiaoming Zhao , Josh Susskind , Oncel Tuzel

Generative AI (GenAI) has revolutionized data-driven modeling by enabling the synthesis of high-dimensional data across various applications, including image generation, language modeling, biomedical signal processing, and anomaly…

Machine Learning · Computer Science 2025-09-09 Yao Xie , Xiuyuan Cheng

Rectified Flow (RF) models achieve state-of-the-art generation quality, yet controlling them for precise tasks -- such as semantic editing or blind image recovery -- remains a challenge. Current approaches bifurcate into inversion-based…

Machine Learning · Computer Science 2026-03-09 Vansh Bansal , James G Scott

We present two novel generative geometric deep learning frameworks, termed Flow Matching PointNet and Diffusion PointNet, for predicting fluid flow variables on irregular geometries by incorporating PointNet into flow matching and diffusion…

Computer Vision and Pattern Recognition · Computer Science 2026-01-13 Ali Kashefi

We propose Functional Flow Matching (FFM), a function-space generative model that generalizes the recently-introduced Flow Matching model to operate in infinite-dimensional spaces. Our approach works by first defining a path of probability…

Machine Learning · Computer Science 2023-12-07 Gavin Kerrigan , Giosue Migliorini , Padhraic Smyth
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