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Recent advancements in computational chemistry have increasingly focused on synthesizing molecules based on textual instructions. Integrating graph generation with these instructions is complex, leading most current methods to use molecular…

Machine Learning · Computer Science 2025-08-27 Yuran Xiang , Haiteng Zhao , Chang Ma , Zhi-Hong Deng

Generating graph-structured data is crucial in applications such as molecular generation, knowledge graphs, and network analysis. However, their discrete, unordered nature makes them difficult for traditional generative models, leading to…

Machine Learning · Computer Science 2026-04-14 Ole Petersen , Marcel Kollovieh , Marten Lienen , Stephan Günnemann

Conditional generative models typically demand large annotated training sets to achieve high-quality synthesis. As a result, there has been significant interest in designing models that perform plug-and-play generation, i.e., to use a…

Computer Vision and Pattern Recognition · Computer Science 2023-10-03 Nithin Gopalakrishnan Nair , Anoop Cherian , Suhas Lohit , Ye Wang , Toshiaki Koike-Akino , Vishal M. Patel , Tim K. Marks

Neural networks are known to be susceptible to adversarial samples: small variations of natural examples crafted to deliberately mislead the models. While they can be easily generated using gradient-based techniques in digital and physical…

Computer Vision and Pattern Recognition · Computer Science 2024-01-18 Haotian Xue , Alexandre Araujo , Bin Hu , Yongxin Chen

Recent research has made significant progress in optimizing diffusion models for downstream objectives, which is an important pursuit in fields such as graph generation for drug design. However, directly applying these models to graph…

Machine Learning · Computer Science 2024-10-28 Yijing Liu , Chao Du , Tianyu Pang , Chongxuan Li , Min Lin , Wei Chen

Existing approaches for diffusion on graphs, e.g., for label propagation, are mainly focused on isotropic diffusion, which is induced by the commonly-used graph Laplacian regularizer. Inspired by the success of diffusivity tensors for…

Computer Vision and Pattern Recognition · Computer Science 2016-02-23 Kwang In Kim , James Tompkin , Hanspeter Pfister , Christian Theobalt

Controllable layout generation refers to the process of creating a plausible visual arrangement of elements within a graphic design (e.g., document and web designs) with constraints representing design intentions. Although recent…

Computer Vision and Pattern Recognition · Computer Science 2024-05-17 Jian Chen , Ruiyi Zhang , Yufan Zhou , Rajiv Jain , Zhiqiang Xu , Ryan Rossi , Changyou Chen

Controllable generation of 3D assets is important for many practical applications like content creation in movies, games and engineering, as well as in AR/VR. Recently, diffusion models have shown remarkable results in generation quality of…

Computer Vision and Pattern Recognition · Computer Science 2024-08-01 Philipp Schröppel , Christopher Wewer , Jan Eric Lenssen , Eddy Ilg , Thomas Brox

Generating temporally coherent high fidelity video is an important milestone in generative modeling research. We make progress towards this milestone by proposing a diffusion model for video generation that shows very promising initial…

Computer Vision and Pattern Recognition · Computer Science 2022-06-24 Jonathan Ho , Tim Salimans , Alexey Gritsenko , William Chan , Mohammad Norouzi , David J. Fleet

Existing neural combinatorial optimization solvers frame solution search as imitation of optimal decisions, inherently limiting their utility to single-objective minimization and static constraints. We propose GOAL, a conditioned diffusion…

Neural and Evolutionary Computing · Computer Science 2026-05-20 Xingyu Li

Molecule generation is a very important practical problem, with uses in drug discovery and material design, and AI methods promise to provide useful solutions. However, existing methods for molecule generation focus either on 2D graph…

Machine Learning · Computer Science 2024-02-07 Chenqing Hua , Sitao Luan , Minkai Xu , Rex Ying , Jie Fu , Stefano Ermon , Doina Precup

Diffusion models have demonstrated their capability to synthesize high-quality and diverse images from textual prompts. However, simultaneous control over both global contexts (e.g., object layouts and interactions) and local details (e.g.,…

Computer Vision and Pattern Recognition · Computer Science 2024-04-25 Moyuru Yamada

Diffusion models, a powerful and universal generative AI technology, have achieved tremendous success in computer vision, audio, reinforcement learning, and computational biology. In these applications, diffusion models provide flexible…

Machine Learning · Computer Science 2024-04-12 Minshuo Chen , Song Mei , Jianqing Fan , Mengdi Wang

Can a text-to-image diffusion model be used as a training objective for adapting a GAN generator to another domain? In this paper, we show that the classifier-free guidance can be leveraged as a critic and enable generators to distill…

Computer Vision and Pattern Recognition · Computer Science 2022-12-12 Kunpeng Song , Ligong Han , Bingchen Liu , Dimitris Metaxas , Ahmed Elgammal

Recent deep learning approaches seek to automate CAD creation by representing a model as a sequence of discrete commands and parameters, and then generating them using autoregressive models or continuous diffusion operating in Euclidean…

Computer Vision and Pattern Recognition · Computer Science 2026-05-07 Honghu Pan , Xiaoling Luo , Yongyong Chen , Zhenyu He , Pengyang Wang

Diffusion models have revolutionized image generation and editing, producing state-of-the-art results in conditioned and unconditioned image synthesis. While current techniques enable user control over the degree of change in an image edit,…

Computer Vision and Pattern Recognition · Computer Science 2024-03-01 Eran Levin , Ohad Fried

Surgical simulation offers a promising addition to conventional surgical training. However, available simulation tools lack photorealism and rely on hardcoded behaviour. Denoising Diffusion Models are a promising alternative for…

Computer Vision and Pattern Recognition · Computer Science 2025-07-02 Yannik Frisch , Ssharvien Kumar Sivakumar , Çağhan Köksal , Elsa Böhm , Felix Wagner , Adrian Gericke , Ghazal Ghazaei , Anirban Mukhopadhyay

Diffusion-based generative models are a design framework that allows generating new images from processes analogous to those found in non-equilibrium thermodynamics. These models model the reversal of a physical diffusion process in which…

Artificial Intelligence · Computer Science 2023-02-21 Jordi de la Torre

Diffusion models, while trained for image generation, have emerged as powerful foundational feature extractors for downstream tasks. We find that off-the-shelf diffusion models, trained exclusively to generate natural RGB images, can…

Computer Vision and Pattern Recognition · Computer Science 2025-06-04 Nurislam Tursynbek , Hastings Greer , Basar Demir , Marc Niethammer

Diffusion models offer unprecedented image generation power given just a text prompt. While emerging approaches for controlling diffusion models have enabled users to specify the desired spatial layouts of the generated content, they cannot…

Computer Vision and Pattern Recognition · Computer Science 2025-02-18 Yunxiang Zhang , Nan Wu , Connor Z. Lin , Gordon Wetzstein , Qi Sun