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We tackle the problem of sampling from intractable high-dimensional density functions, a fundamental task that often appears in machine learning and statistics. We extend recent sampling-based approaches that leverage controlled stochastic…

Machine Learning · Computer Science 2024-03-12 Dinghuai Zhang , Ricky T. Q. Chen , Cheng-Hao Liu , Aaron Courville , Yoshua Bengio

Diffusion models have achieved remarkable success in text-to-image synthesis, largely attributed to the use of classifier-free guidance (CFG), which enables high-quality, condition-aligned image generation. CFG combines the conditional…

Computer Vision and Pattern Recognition · Computer Science 2025-03-25 Mingi Kwon , Shin seong Kim , Jaeseok Jeong. Yi Ting Hsiao , Youngjung Uh

The widespread use of vector graphics creates a significant demand for vectorization methods. While recent learning-based techniques have shown their capability to create vector images of clear topology, filling these primitives with…

Computer Vision and Pattern Recognition · Computer Science 2024-08-29 Hengyu Zhou , Hui Zhang , Bin Wang

We introduce Spectral Generative Flow Models (SGFMs), a physics-inspired alternative to transformer-based large language models. Instead of representing text or video as sequences of discrete tokens processed by attention, SGFMs treat…

Machine Learning · Computer Science 2026-01-23 Andrew Kiruluta

Generative models can be categorized into two types: explicit generative models that define explicit density forms and allow exact likelihood inference, such as score-based diffusion models (SDMs) and normalizing flows; implicit generative…

Machine Learning · Statistics 2023-07-06 Jingwei Zhang , Han Shi , Jincheng Yu , Enze Xie , Zhenguo Li

Designing molecules that bind to specific target proteins is a fundamental task in drug discovery. Recent models leverage geometric constraints to generate ligand molecules that bind cohesively with specific protein pockets. However, these…

Biomolecules · Quantitative Biology 2023-04-26 Fang Sun , Zhihao Zhan , Hongyu Guo , Ming Zhang , Jian Tang

Diffusion models are among the most effective methods for image generation. This is in particular because, unlike GANs, they can be easily conditioned during training to produce elements with desired class or properties. However, guiding a…

Computer Vision and Pattern Recognition · Computer Science 2024-07-19 Mateusz Poleski , Jacek Tabor , Przemysław Spurek

Score-based generative models (SGMs) sample from a target distribution by iteratively transforming noise using the score function of the perturbed target. For any finite training set, this score function can be evaluated in closed form, but…

Machine Learning · Computer Science 2025-05-07 Christopher Scarvelis , Haitz Sáez de Ocáriz Borde , Justin Solomon

Classifier-Free Guidance (CFG) is a widely adopted technique in diffusion and flow-based generative models, enabling high-quality conditional generation. A key theoretical challenge is characterizing the distribution induced by CFG,…

Machine Learning · Computer Science 2025-05-23 Krunoslav Lehman Pavasovic , Jakob Verbeek , Giulio Biroli , Marc Mezard

Complex systems with intricate causal dependencies challenge accurate prediction. Effective modeling requires precise physical process representation, integration of interdependent factors, and incorporation of multi-resolution…

Machine Learning · Computer Science 2025-04-08 Xuechun Li , Shan Gao , Susu Xu

Urban wind flow modeling and simulation play an important role in air quality assessment and sustainable city planning. A key challenge for modeling and simulation is handling the complex geometries of the urban landscape. Low order models…

Machine Learning · Computer Science 2025-12-18 Francisco Giral , Álvaro Manzano , Ignacio Gómez , Petros Koumoutsakos , Soledad Le Clainche

The conformational landscape of proteins is crucial to understanding their functionality in complex biological processes. Traditional physics-based computational methods, such as molecular dynamics (MD) simulations, suffer from rare event…

Biomolecules · Quantitative Biology 2024-09-25 Yan Wang , Lihao Wang , Yuning Shen , Yiqun Wang , Huizhuo Yuan , Yue Wu , Quanquan Gu

Score-based generative models (SGMs) have recently demonstrated impressive results in terms of both sample quality and distribution coverage. However, they are usually applied directly in data space and often require thousands of network…

Machine Learning · Statistics 2021-12-03 Arash Vahdat , Karsten Kreis , Jan Kautz

Language-driven image segmentation is a fundamental task in vision-language understanding, requiring models to segment regions of an image corresponding to natural language expressions. Traditional methods approach this as a discriminative…

Computer Vision and Pattern Recognition · Computer Science 2025-08-28 Yuhao Chen , Shubin Chen , Liang Lin , Guangrun Wang

The present article advances the concept of a non-singular cooperative guiding vector field under a homotopy equivalence transformation. Firstly, the derivation of a guiding vector field, based on a non-singular vector field, is elaborated…

Systems and Control · Electrical Eng. & Systems 2023-08-15 Zirui Chen , Zongyu Zuo

Score-based graph generative models (SGGMs) have proven effective in critical applications such as drug discovery and protein synthesis. However, their theoretical behavior, particularly regarding convergence, remains underexplored. Unlike…

Machine Learning · Computer Science 2025-08-21 Junwei Su , Chuan Wu

Learning generative models for graph-structured data is challenging because graphs are discrete, combinatorial, and the underlying data distribution is invariant to the ordering of nodes. However, most of the existing generative models for…

Machine Learning · Computer Science 2020-03-03 Chenhao Niu , Yang Song , Jiaming Song , Shengjia Zhao , Aditya Grover , Stefano Ermon

A diffusion model learns to predict a vector field of gradients. We propose to apply chain rule on the learned gradients, and back-propagate the score of a diffusion model through the Jacobian of a differentiable renderer, which we…

Computer Vision and Pattern Recognition · Computer Science 2022-12-02 Haochen Wang , Xiaodan Du , Jiahao Li , Raymond A. Yeh , Greg Shakhnarovich

3D scene generation is a core technology for gaming, film/VFX, and VR/AR. Growing demand for rapid iteration, high-fidelity detail, and accessible content creation has further increased interest in this area. Existing methods broadly follow…

Computer Vision and Pattern Recognition · Computer Science 2026-01-29 Haozhi Zhu , Miaomiao Zhao , Dingyao Liu , Runze Tian , Yan Zhang , Jie Guo , Fenggen Yu

Probabilistic diffusion models have achieved state-of-the-art results for image synthesis, inpainting, and text-to-image tasks. However, they are still in the early stages of generating complex 3D shapes. This work proposes Diffusion-SDF, a…

Computer Vision and Pattern Recognition · Computer Science 2023-03-17 Gene Chou , Yuval Bahat , Felix Heide