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Structure-based drug design (SBDD) aims to design small-molecule ligands that bind with high affinity and specificity to pre-determined protein targets. Generative SBDD methods leverage structural data of drugs in complex with their protein…

A new causal discovery method, Structural Agnostic Modeling (SAM), is presented in this paper. Leveraging both conditional independencies and distributional asymmetries, SAM aims to find the underlying causal structure from observational…

Machine Learning · Statistics 2022-07-26 Diviyan Kalainathan , Olivier Goudet , Isabelle Guyon , David Lopez-Paz , Michèle Sebag

While many diffusion models perform well when controlling particular aspects such as style, character, and interaction, they struggle with fine-grained control due to dataset limitations and intricate model architecture design. This paper…

Computer Vision and Pattern Recognition · Computer Science 2026-01-29 Conghan Yue , Zhengwei Peng , Shiyan Du , Zhi Ji , Chuangjian Cai , Le Wan , Dongyu Zhang

Synthesizing novel 3D models that resemble the input example has long been pursued by graphics artists and machine learning researchers. In this paper, we present Sin3DM, a diffusion model that learns the internal patch distribution from a…

Computer Vision and Pattern Recognition · Computer Science 2024-02-22 Rundi Wu , Ruoshi Liu , Carl Vondrick , Changxi Zheng

Diffusion models are known for generating high-quality images, causing serious security concerns. To combat this, most efforts rely on deep neural networks (e.g., CNNs and Transformers), while largely overlooking the potential of…

Computer Vision and Pattern Recognition · Computer Science 2026-04-16 Mengxin Fu , Yuezun Li

The success of large language models has inspired the computer vision community to explore image segmentation foundation model that is able to zero/few-shot generalize through prompt engineering. Segment-Anything(SAM), among others, is the…

Computer Vision and Pattern Recognition · Computer Science 2024-04-11 Haojie Zhang , Yongyi Su , Xun Xu , Kui Jia

Diffusion models achieve state-of-the-art image generation but remain computationally costly due to iterative denoising. Latent-space models like Stable Diffusion reduce overhead yet lose fine detail, while retrieval-augmented methods…

Machine Learning · Computer Science 2025-12-23 Bilal Faye , Hanane Azzag , Mustapha Lebbah

We introduce Compartmentalized Diffusion Models (CDM), a method to train different diffusion models (or prompts) on distinct data sources and arbitrarily compose them at inference time. The individual models can be trained in isolation, at…

Machine Learning · Computer Science 2024-10-15 Aditya Golatkar , Alessandro Achille , Ashwin Swaminathan , Stefano Soatto

Recent empirical studies have demonstrated that diffusion models can effectively learn the image distribution and generate new samples. Remarkably, these models can achieve this even with a small number of training samples despite a large…

Machine Learning · Computer Science 2025-07-08 Peng Wang , Huijie Zhang , Zekai Zhang , Siyi Chen , Yi Ma , Qing Qu

Conventional diffusion models typically relies on a fixed forward process, which implicitly defines complex marginal distributions over latent variables. This can often complicate the reverse process' task in learning generative…

Machine Learning · Statistics 2025-06-10 Grigory Bartosh , Dmitry Vetrov , Christian A. Naesseth

Diffusion Models have demonstrated remarkable performance in image generation. However, their demanding computational requirements for training have prompted ongoing efforts to enhance the quality of generated images through modifications…

Computer Vision and Pattern Recognition · Computer Science 2023-11-21 Eleftherios Tsonis , Paraskevi Tzouveli , Athanasios Voulodimos

Recently, diffusion models have demonstrated impressive capabilities in text-guided and image-conditioned image generation. However, existing diffusion models cannot simultaneously generate an image and a panoptic segmentation of objects…

Computer Vision and Pattern Recognition · Computer Science 2025-02-25 Yinghan Long , Kaushik Roy

Diffusion models excel at creating visually-convincing images, but they often struggle to meet subtle constraints inherent in the training data. Such constraints could be physics-based (e.g., satisfying a PDE), geometric (e.g., respecting…

Machine Learning · Computer Science 2025-04-11 Berthy T. Feng , Ricardo Baptista , Katherine L. Bouman

Recent studies that incorporate geometric features and transformers into 3D point cloud feature learning have significantly improved the performance of 3D deep-learning models. However, their robustness against adversarial attacks has not…

Computer Vision and Pattern Recognition · Computer Science 2024-07-16 Xuelong Dai , Bin Xiao

We argue that the theory and practice of diffusion-based generative models are currently unnecessarily convoluted and seek to remedy the situation by presenting a design space that clearly separates the concrete design choices. This lets us…

Computer Vision and Pattern Recognition · Computer Science 2022-10-12 Tero Karras , Miika Aittala , Timo Aila , Samuli Laine

Diffusion model (DM) based adversarial purification (AP) has proven to be a powerful defense method that can remove adversarial perturbations and generate a purified example without threats. In principle, the pre-trained DMs can only ensure…

Computer Vision and Pattern Recognition · Computer Science 2025-03-12 Guang Lin , Zerui Tao , Jianhai Zhang , Toshihisa Tanaka , Qibin Zhao

The increased demand for 3D data in AR/VR, robotics and gaming applications, gave rise to powerful generative pipelines capable of synthesizing high-quality 3D objects. Most of these models rely on the Score Distillation Sampling (SDS)…

Computer Vision and Pattern Recognition · Computer Science 2023-12-12 Ziyu Wan , Despoina Paschalidou , Ian Huang , Hongyu Liu , Bokui Shen , Xiaoyu Xiang , Jing Liao , Leonidas Guibas

Incorporating diffusion-generated synthetic data into adversarial training (AT) has been shown to substantially improve the training of robust image classifiers. In this work, we extend the role of diffusion models beyond merely generating…

Machine Learning · Computer Science 2026-02-24 Pin-Han Huang , Shang-Tse Chen , Hsuan-Tien Lin

Few-shot image synthesis entails generating diverse and realistic images of novel categories using only a few example images. While multiple recent efforts in this direction have achieved impressive results, the existing approaches are…

Computer Vision and Pattern Recognition · Computer Science 2025-06-03 Parul Gupta , Munawar Hayat , Abhinav Dhall , Thanh-Toan Do

We introduce the Fixed Point Diffusion Model (FPDM), a novel approach to image generation that integrates the concept of fixed point solving into the framework of diffusion-based generative modeling. Our approach embeds an implicit fixed…

Computer Vision and Pattern Recognition · Computer Science 2024-01-18 Xingjian Bai , Luke Melas-Kyriazi