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Can we train a 3D molecule generator using data from dense regions to generate samples in sparse regions? This challenge can be framed as an out-of-distribution (OOD) generation problem. While prior research on OOD generation predominantly…

Machine Learning · Computer Science 2026-03-03 Haokai Hong , Wanyu Lin , Ming Yang , Kay Chen Tan

Generating graph-structured data requires learning the underlying distribution of graphs. Yet, this is a challenging problem, and the previous graph generative methods either fail to capture the permutation-invariance property of graphs or…

Machine Learning · Computer Science 2022-06-16 Jaehyeong Jo , Seul Lee , Sung Ju Hwang

Score-based generative models and diffusion probabilistic models have been successful at generating high-quality samples in continuous domains such as images and audio. However, due to their Langevin-inspired sampling mechanisms, their…

Sound · Computer Science 2021-11-29 Gautam Mittal , Jesse Engel , Curtis Hawthorne , Ian Simon

Recent diffusion-based generators can produce high-quality images from textual prompts. However, they often disregard textual instructions that specify the spatial layout of the composition. We propose a simple approach that achieves robust…

Computer Vision and Pattern Recognition · Computer Science 2023-11-30 Minghao Chen , Iro Laina , Andrea Vedaldi

Text-to-image diffusion models produce impressive results but are frustrating tools for artists who desire fine-grained control. For example, a common use case is to create images of a specific instance in novel contexts, i.e.,…

Computer Vision and Pattern Recognition · Computer Science 2024-11-28 Shengqu Cai , Eric Chan , Yunzhi Zhang , Leonidas Guibas , Jiajun Wu , Gordon Wetzstein

Classifier-Free Guidance (CFG) is a widely used technique for conditional generation and improving sample quality in continuous diffusion models, and its extensions to discrete diffusion has recently started to be investigated. In order to…

Machine Learning · Computer Science 2026-03-04 Kevin Rojas , Ye He , Chieh-Hsin Lai , Yuhta Takida , Yuki Mitsufuji , Molei Tao

Graph property prediction tasks are important and numerous. While each task offers a small size of labeled examples, unlabeled graphs have been collected from various sources and at a large scale. A conventional approach is training a model…

Machine Learning · Computer Science 2023-10-13 Gang Liu , Eric Inae , Tong Zhao , Jiaxin Xu , Tengfei Luo , Meng Jiang

Diffusion models, a family of generative models based on deep learning, have become increasingly prominent in cutting-edge machine learning research. With a distinguished performance in generating samples that resemble the observed data,…

Machine Learning · Computer Science 2023-05-02 Lequan Lin , Zhengkun Li , Ruikun Li , Xuliang Li , Junbin Gao

Class-labeled datasets, particularly those common in scientific domains, are rife with internal structure, yet current class-conditional diffusion models ignore these relationships and implicitly diffuse on all classes in a flat fashion. To…

Machine Learning · Computer Science 2024-02-05 Alex M. Tseng , Max Shen , Tommaso Biancalani , Gabriele Scalia

We introduce discriminator guidance in the setting of Autoregressive Diffusion Models. The use of a discriminator to guide a diffusion process has previously been used for continuous diffusion models, and in this work we derive ways of…

Machine Learning · Computer Science 2024-09-24 Filip Ekström Kelvinius , Fredrik Lindsten

Recent advances in diffusion-based generative models have shown incredible promise for zero shot image-to-image translation and editing. Most of these approaches work by combining or replacing network-specific features used in the…

Computer Vision and Pattern Recognition · Computer Science 2025-10-06 Zeqi Gu , Ethan Yang , Abe Davis

The diffusion model has shown remarkable performance in modeling data distributions and synthesizing data. However, the vanilla diffusion model requires complete or fully observed data for training. Incomplete data is a common issue in…

Machine Learning · Computer Science 2023-07-04 Yidong Ouyang , Liyan Xie , Chongxuan Li , Guang Cheng

The covariance for clean data given a noisy observation is an important quantity in many training-free guided generation methods for diffusion models. Current methods require heavy test-time computation, altering the standard diffusion…

Machine Learning · Computer Science 2025-03-25 Severi Rissanen , Markus Heinonen , Arno Solin

Diffusion models have shown promising results for a wide range of generative tasks with continuous data, such as image and audio synthesis. However, little progress has been made on using diffusion models to generate discrete symbolic music…

Sound · Computer Science 2023-10-24 Jincheng Zhang , György Fazekas , Charalampos Saitis

Recent advances in diffusion models have significantly improved text-to-face generation, but achieving fine-grained control over facial features remains a challenge. Existing methods often require training additional modules to handle…

Computer Vision and Pattern Recognition · Computer Science 2025-05-26 Liang Shi , Yun Fu

Current large-scale generative models have impressive efficiency in generating high-quality images based on text prompts. However, they lack the ability to precisely control the size and position of objects in the generated image. In this…

Computer Vision and Pattern Recognition · Computer Science 2023-04-27 Jiafeng Mao , Xueting Wang

Diffusion models have demonstrated significant promise in various generative tasks; however, they often struggle to satisfy challenging constraints. Our approach addresses this limitation by rethinking training-free loss-guided diffusion…

Machine Learning · Computer Science 2024-11-19 William Huang , Yifeng Jiang , Tom Van Wouwe , C. Karen Liu

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

Score-based diffusion models are a powerful class of generative models, but their practical use often depends on training neural networks to approximate the score function. Training-free diffusion models provide an attractive alternative by…

Numerical Analysis · Mathematics 2026-01-28 Pengjun Wang , Zezhong Zhang , Minglei Yang , Feng Bao , Yanzhao Cao , Guannan Zhang

Diffusion and flow-based models have become the state of the art for generative AI across a wide range of data modalities, including images, videos, shapes, molecules, music, and more. This tutorial provides a self-contained introduction to…

Machine Learning · Computer Science 2026-03-19 Peter Holderrieth , Ezra Erives