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Diffusion models have shown promising capabilities in trajectory generation for planning in offline reinforcement learning (RL). However, conventional diffusion-based planning methods often fail to account for the fact that generating…

Artificial Intelligence · Computer Science 2026-02-25 Hanping Zhang , Yuhong Guo

Since its foundations, more than one hundred years ago, the field of structural biology has strived to understand and analyze the properties of molecules and their interactions by studying the structure that they take in 3D space. However,…

Biomolecules · Quantitative Biology 2023-02-27 Gabriele Corso

Current mainstream methods of aligning diffusion models with human preferences typically employ VLM-based reward models. However, these reward models, pre-trained for semantic alignment, struggle to capture the essential perceptual…

Computer Vision and Pattern Recognition · Computer Science 2026-05-26 Jaxon Zhang , Binxin Yang , Hubery Yin , Chen Li , Jing Lyu

Unsupervised reinforcement learning (URL) aims to pre-train agents by exploring diverse states or skills in reward-free environments, facilitating efficient adaptation to downstream tasks. As the agent cannot access extrinsic rewards during…

Machine Learning · Computer Science 2025-05-19 Chengyang Ying , Huayu Chen , Xinning Zhou , Zhongkai Hao , Hang Su , Jun Zhu

Developing bioactive molecules remains a central, time- and cost-heavy challenge in drug discovery, particularly for novel targets lacking structural or functional data. Pharmacophore modeling presents an alternative for capturing the key…

Machine Learning · Computer Science 2025-05-16 Amira Alakhdar , Barnabas Poczos , Newell Washburn

A growing trend for value-based reinforcement learning (RL) algorithms is to capture more information than scalar value functions in the value network. One of the most well-known methods in this branch is distributional RL, which models…

Machine Learning · Computer Science 2021-10-27 Pushi Zhang , Xiaoyu Chen , Li Zhao , Wei Xiong , Tao Qin , Tie-Yan Liu

Diffusion models have recently demonstrated exceptional performance in image generation task. However, existing image generation methods still significantly suffer from the dilemma of image reasoning, especially in logic-centered image…

Computer Vision and Pattern Recognition · Computer Science 2025-05-29 Jiadong Pan , Zhiyuan Ma , Kaiyan Zhang , Ning Ding , Bowen Zhou

This study introduces the P5 model - a foundational method that utilizes reinforcement learning (RL) to augment control, effectiveness, and scalability in molecular dynamics simulations (MD). Our innovative strategy optimizes the sampling…

Machine Learning · Computer Science 2023-07-25 Paloma Gonzalez-Rojas , Andrew Emmel , Luis Martinez , Neil Malur , Gregory Rutledge

Reinforcement learning (RL), earlier proven to be effective in large language and multi-modal models, has been successfully extended to enhance 2D image generation recently. However, applying RL to 3D generation remains largely unexplored…

Computer Vision and Pattern Recognition · Computer Science 2025-12-12 Yiwen Tang , Zoey Guo , Kaixin Zhu , Ray Zhang , Qizhi Chen , Dongzhi Jiang , Junli Liu , Bohan Zeng , Haoming Song , Delin Qu , Tianyi Bai , Dan Xu , Wentao Zhang , Bin Zhao

Online Multi-Agent Reinforcement Learning (MARL) is a prominent framework for efficient agent coordination. Crucially, enhancing policy expressiveness is pivotal for achieving superior performance. Diffusion-based generative models are…

Artificial Intelligence · Computer Science 2026-02-23 Zhuoran Li , Hai Zhong , Xun Wang , Qingxin Xia , Lihua Zhang , Longbo Huang

Managing physiological variables within clinically safe target zones is a central challenge in healthcare, particularly for chronic conditions such as Type 1 Diabetes Mellitus (T1DM). Reinforcement learning (RL) offers promise for…

Machine Learning · Computer Science 2025-08-07 David H. Mguni , Jing Dong , Wanrong Yang , Ziquan Liu , Muhammad Salman Haleem , Baoxiang Wang

Reinforcement learning from human feedback (RLHF) has proven effective in aligning large language models with human preferences, inspiring the development of reward-centric diffusion reinforcement learning (RDRL) to achieve similar…

Machine Learning · Computer Science 2026-03-24 Kwanyoung Kim , Byeongsu Sim

Multiobjective reinforcement learning (MORL) poses significant challenges due to the inherent conflicts between objectives and the difficulty of adapting to dynamic environments. Traditional methods often struggle to generalize effectively,…

Machine Learning · Computer Science 2025-12-23 Xueming Yan , Bo Yin , Yaochu Jin

In medical imaging, the diffusion models have shown great potential for synthetic image generation tasks. However, these approaches often lack the interpretable connections between the generated and real images and can create anatomically…

Image and Video Processing · Electrical Eng. & Systems 2026-02-12 Jian-Qing Zheng , Yuanhan Mo , Yang Sun , Jiahua Li , Fuping Wu , Ziyang Wang , Tonia Vincent , Bartłomiej W. Papież

The probabilistic diffusion model (DM), generating content by inferencing through a recursive chain structure, has emerged as a powerful framework for visual generation. After pre-training on enormous data, the model needs to be properly…

Computer Vision and Pattern Recognition · Computer Science 2025-09-30 Tao Ren , Zishi Zhang , Jingyang Jiang , Zehao Li , Shentao Qin , Yi Zheng , Guanghao Li , Qianyou Sun , Yan Li , Jiafeng Liang , Xinping Li , Yijie Peng

A cognitive beamforming algorithm for colocated MIMO radars, based on Reinforcement Learning (RL) framework, is proposed. We analyse an RL-based optimization protocol that allows the MIMO radar, i.e. the \textit{agent}, to iteratively sense…

Signal Processing · Electrical Eng. & Systems 2018-11-07 Li Wang , Stefano Fortunati , Maria Sabrina Greco , Fulvio Gini

Deep generative models that produce novel molecular structures have the potential to facilitate chemical discovery. Flow matching is a recently proposed generative modeling framework that has achieved impressive performance on a variety of…

Machine Learning · Computer Science 2024-11-26 Ian Dunn , David R. Koes

Image restoration is a long-standing problem in low-level computer vision with many interesting applications. We describe a flexible learning framework based on the concept of nonlinear reaction diffusion models for various image…

Computer Vision and Pattern Recognition · Computer Science 2016-08-23 Yunjin Chen , Thomas Pock

We propose a new reinforcement learning (RL) formulation for training continuous-time score-based diffusion models for generative AI to generate samples that maximize reward functions while keeping the generated distributions close to the…

Machine Learning · Computer Science 2025-08-12 Xuefeng Gao , Jiale Zha , Xun Yu Zhou

The integration of deep learning to reinforcement learning (RL) has enabled RL to perform efficiently in high-dimensional environments. Deep RL methods have been applied to solve many complex real-world problems in recent years. However,…

Machine Learning · Computer Science 2021-02-24 Ngoc Duy Nguyen , Thanh Thi Nguyen , Hai Nguyen , Doug Creighton , Saeid Nahavandi