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Generative models have the potential to accelerate key steps in the discovery of novel molecular therapeutics and materials. Diffusion models have recently emerged as a powerful approach, excelling at unconditional sample generation and,…

Biomolecules · Quantitative Biology 2024-07-17 Leo Klarner , Tim G. J. Rudner , Garrett M. Morris , Charlotte M. Deane , Yee Whye Teh

Offline black-box optimization aims to discover novel designs with high property scores using only a static dataset, a task fundamentally challenged by the out-of-distribution (OOD) extrapolation problem. Existing approaches typically…

Machine Learning · Computer Science 2026-05-22 Yonghan Yang , Ye Yuan , Zipeng Sun , Linfeng Du , Bowei He , Haolun Wu , Can Chen , Xue Liu

Diffusion models have been widely studied for removing unsafe content learned during pre-training. Existing methods require expensive supervised data, either unsafe-text paired with safe-image groundtruth or negative/positive image pairs,…

Computer Vision and Pattern Recognition · Computer Science 2026-05-19 Komal Kumar , Ankan Deria , Abhishek Basu , Fahad Shamshad , Hisham Cholakkal , Karthik Nandakumar

Diffusion models have become a central tool in deep generative modeling, but standard formulations rely on a single network and a single diffusion schedule to transform a simple prior, typically a standard normal distribution, into the…

Machine Learning · Statistics 2025-12-29 Takuro Kutsuna

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

AI image generators based on diffusion models have recently garnered attention for their capability to create images from simple text prompts. However, for practical use in civil engineering they need to be able to create specific…

Machine Learning · Computer Science 2024-05-06 Joern Ploennigs , Markus Berger

Artificial intelligence have contributed to advancements across various industries. However, the rapid growth of artificial intelligence technologies also raises concerns about their environmental impact, due to associated carbon footprints…

Image and Video Processing · Electrical Eng. & Systems 2024-05-28 Szymon Mazurek , Monika Pytlarz , Sylwia Malec , Alessandro Crimi

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

We address the problem of fine-tuning pre-trained generative policies with reinforcement learning (RL) while preserving the multimodality of their action distributions. Existing methods for RL fine-tuning of generative policies (e.g.,…

Machine Learning · Computer Science 2026-05-13 Alberta Longhini , David Emukpere , Jean-Michel Renders , Seungsu Kim

Bayesian experimental design (BED) aims at designing an experiment to maximize the information gathering from the collected data. The optimal design is usually achieved by maximizing the mutual information (MI) between the data and the…

Machine Learning · Computer Science 2021-03-17 Jiaxin Zhang , Sirui Bi , Guannan Zhang

Diffusion models have demonstrated impressive capabilities in synthesizing diverse content. However, despite their high-quality outputs, these models often perpetuate social biases, including those related to gender and race. These biases…

Computer Vision and Pattern Recognition · Computer Science 2025-03-27 Yingdong Shi , Changming Li , Yifan Wang , Yongxiang Zhao , Anqi Pang , Sibei Yang , Jingyi Yu , Kan Ren

Recent progress in Quality Diversity Reinforcement Learning (QD-RL) has enabled learning a collection of behaviorally diverse, high performing policies. However, these methods typically involve storing thousands of policies, which results…

Machine Learning · Computer Science 2023-06-27 Shashank Hegde , Sumeet Batra , K. R. Zentner , Gaurav S. Sukhatme

Traditional optimization-based planners, while effective, suffer from high computational costs, resulting in slow trajectory generation. A successful strategy to reduce computation time involves using Imitation Learning (IL) to develop fast…

The recent success of denoising diffusion models has significantly advanced text-to-image generation. While these large-scale pretrained models show excellent performance in general image synthesis, downstream objectives often require…

Computer Vision and Pattern Recognition · Computer Science 2024-11-27 Maorong Wang , Jiafeng Mao , Xueting Wang , Toshihiko Yamasaki

Diffusion models demonstrate remarkable capabilities in capturing complex data distributions and have achieved compelling results in many generative tasks. While they have recently been extended to dense prediction tasks such as depth…

Computer Vision and Pattern Recognition · Computer Science 2025-12-16 Haorui Ji , Taojun Lin , Hongdong Li

Diffusion Models~(DMs) have emerged as the dominant approach in Generative Artificial Intelligence (GenAI), owing to their remarkable performance in tasks such as text-to-image synthesis. However, practical DMs, such as stable diffusion,…

Machine Learning · Computer Science 2025-08-18 Xuhui Fan , Zhangkai Wu , Hongyu Wu

Learning to sample from intractable distributions over discrete sets without relying on corresponding training data is a central problem in a wide range of fields, including Combinatorial Optimization. Currently, popular deep learning-based…

Machine Learning · Computer Science 2025-08-25 Sebastian Sanokowski , Sepp Hochreiter , Sebastian Lehner

In recent years, Diffusion Models have become the new state-of-the-art in deep generative modeling, ending the long-time dominance of Generative Adversarial Networks. Inspired by the Regularization by Denoising principle, we introduce an…

Image and Video Processing · Electrical Eng. & Systems 2025-03-31 Pasquale Cascarano , Lorenzo Stacchio , Andrea Sebastiani , Alessandro Benfenati , Ulugbek S. Kamilov , Gustavo Marfia

Speech super-resolution (SR) is the task that restores high-resolution speech from low-resolution input. Existing models employ simulated data and constrained experimental settings, which limit generalization to real-world SR. Predictive…

Audio and Speech Processing · Electrical Eng. & Systems 2024-01-26 Heming Wang , Eric W. Healy , DeLiang Wang

Semantic communications mark a paradigm shift from bit-accurate transmission toward meaning-centric communication, essential as wireless systems approach theoretical capacity limits. The emergence of generative AI has catalyzed generative…

Signal Processing · Electrical Eng. & Systems 2026-05-08 Hai-Long Qin , Jincheng Dai , Guo Lu , Shuo Shao , Sixian Wang , Tongda Xu , Wenjun Zhang , Ping Zhang , Khaled B. Letaief