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Model-based reinforcement learning (RL) can be effectively supported at scale through the use of world models. However, in practice, scaling such approaches remains fundamentally limited. A commonly recognized challenge is model bias and…

Machine Learning · Computer Science 2026-05-27 Xiaoyuan Cheng , Wenxuan Yuan , Zhancun Mu , Yuanzhao Zhang , Yiming Yang , Hai Wang , Zhuo Sun , Che Liu

Finetuning a Large Language Model (LLM) is crucial for generating results towards specific objectives. This research delves into the realm of drug optimization and introduce a novel reinforcement learning algorithm to finetune a drug…

Machine Learning · Computer Science 2025-02-12 Xuefeng Liu , Songhao Jiang , Siyu Chen , Zhuoran Yang , Yuxin Chen , Ian Foster , Rick Stevens

Recent advancements in diffusion models (DMs) have been propelled by alignment methods that post-train models to better conform to human preferences. However, these approaches typically require computation-intensive training of a base model…

Computer Vision and Pattern Recognition · Computer Science 2025-08-05 Zejian Li , Yize Li , Chenye Meng , Zhongni Liu , Yang Ling , Shengyuan Zhang , Guang Yang , Changyuan Yang , Zhiyuan Yang , Lingyun Sun

Using reinforcement learning with human feedback (RLHF) has shown significant promise in fine-tuning diffusion models. Previous methods start by training a reward model that aligns with human preferences, then leverage RL techniques to…

Machine Learning · Computer Science 2024-03-26 Kai Yang , Jian Tao , Jiafei Lyu , Chunjiang Ge , Jiaxin Chen , Qimai Li , Weihan Shen , Xiaolong Zhu , Xiu Li

Masked diffusion models (MDMs) generate discrete sequences by iterative denoising under an absorbing masking process. In standard masked diffusion, if a token remains masked after a reverse update, the model discards its clean-state…

Machine Learning · Computer Science 2026-05-01 Michael Cardei , Huu Binh Ta , Ferdinando Fioretto

Recent GRPO-based approaches built on flow matching models have shown remarkable improvements in human preference alignment for text-to-image generation. Nevertheless, they still suffer from the sparse reward problem: the terminal reward of…

Computer Vision and Pattern Recognition · Computer Science 2026-02-26 Haoyou Deng , Keyu Yan , Chaojie Mao , Xiang Wang , Yu Liu , Changxin Gao , Nong Sang

Prior masked modeling motion generation methods predominantly study text-to-motion. We present DiMo, a discrete diffusion-style framework, which extends masked modeling to bidirectional text--motion understanding and generation. Unlike…

Computer Vision and Pattern Recognition · Computer Science 2026-02-09 Ning Zhang , Zhengyu Li , Kwong Weng Loh , Mingxi Xu , Qi Wang , Zhengyu Wen , Xiaoyu He , Wei Zhao , Kehong Gong , Mingyuan Zhang

To fully leverage the capabilities of diffusion models, we are often interested in optimizing downstream reward functions during inference. While numerous algorithms for reward-guided generation have been recently proposed due to their…

Machine Learning · Computer Science 2025-04-18 Masatoshi Uehara , Xingyu Su , Yulai Zhao , Xiner Li , Aviv Regev , Shuiwang Ji , Sergey Levine , Tommaso Biancalani

Recent Large Reasoning Models (LRMs) have achieved remarkable performance in solving complex problems via supervised fine-tuning (SFT) and reinforcement learning (RL). Although existing RL algorithms significantly enhance model accuracy,…

Artificial Intelligence · Computer Science 2025-10-20 Zezhong Tan , Hang Gao , Xinhong Ma , Feng Zhang , Ziqiang Dong

Deep generative models are rapidly advancing structure-based drug design, offering substantial promise for generating small molecule ligands that bind to specific protein targets. However, most current approaches assume a rigid protein…

Biomolecules · Quantitative Biology 2025-11-19 Xinzhe Zheng , Shiyu Jiang , Gustavo Seabra , Chenglong Li , Yanjun Li

Group Relative Policy Optimization (GRPO) effectively scales LLM reasoning but incurs prohibitive computational costs due to its extensive group-based sampling requirement. While recent selective data utilization methods can mitigate this…

Machine Learning · Computer Science 2026-03-05 Haodong Zhu , Yangyang Ren , Yanjing Li , Mingbao Lin , Linlin Yang , Xuhui Liu , Xiantong Zhen , Haiguang Liu , Baochang Zhang

While reinforcement learning methods such as Group Relative Preference Optimization (GRPO) have significantly enhanced Large Language Models, adapting them to diffusion models remains challenging. In particular, GRPO demands a stochastic…

Machine Learning · Computer Science 2025-10-10 Yihong Luo , Tianyang Hu , Jing Tang

Diffusion models have emerged as a leading framework in generative modeling, poised to transform the traditionally slow and costly process of drug discovery. This review provides a systematic comparison of their application in designing two…

Machine Learning · Computer Science 2025-11-27 Yiquan Wang , Yahui Ma , Yuhan Chang , Jiayao Yan , Jialin Zhang , Minnuo Cai , Kai Wei

In this work, we address the challenge of multi-task image generation with limited data for denoising diffusion probabilistic models (DDPM), a class of generative models that produce high-quality images by reversing a noisy diffusion…

Machine Learning · Computer Science 2023-11-29 Delaram Pirhayatifard , Mohammad Taha Toghani , Guha Balakrishnan , César A. Uribe

Joint-embedding predictive architectures (JEPAs) have shown substantial promise in self-supervised representation learning, yet their application in generative modeling remains underexplored. Conversely, diffusion models have demonstrated…

Machine Learning · Computer Science 2025-02-05 Dengsheng Chen , Jie Hu , Xiaoming Wei , Enhua Wu

We propose a diffusion-based framework for prompt optimization that leverages Diffusion Language Models (DLMs) to iteratively refine system prompts through masked denoising. By conditioning on interaction traces, including user queries,…

Computation and Language · Computer Science 2026-02-24 Shiyu Wang , Haolin Chen , Liangwei Yang , Jielin Qiu , Rithesh Murthy , Ming Zhu , Zixiang Chen , Silvio Savarese , Caiming Xiong , Shelby Heinecke , Huan Wang

Preference learning has garnered extensive attention as an effective technique for aligning diffusion models with human preferences in visual generation. However, existing alignment approaches such as Diffusion-DPO suffer from two…

Machine Learning · Computer Science 2026-05-19 Xiaomeng Yang , Mengping Yang , Junyan Wang , Zhijian Zhou , Zhiyu Tan , Hao Li

De novo design of bioactive drug molecules with potential to treat desired biological targets is a profound task in the drug discovery process. Existing approaches tend to leverage the pocket structure of the target protein to condition the…

Biomolecules · Quantitative Biology 2025-01-28 Conghao Wang , Jagath C. Rajapakse

In this paper, a novel approach is proposed for learning robot control in contact-rich tasks such as wiping, by developing Diffusion Contact Model (DCM). Previous methods of learning such tasks relied on impedance control with time-varying…

Robotics · Computer Science 2024-03-21 Masashi Okada , Mayumi Komatsu , Tadahiro Taniguchi

In recent years, motion generative models have undergone significant advancement, yet pose challenges in aligning with downstream objectives. Recent studies have shown that using differentiable rewards to directly align the preference of…

Computer Vision and Pattern Recognition · Computer Science 2026-02-10 Xiaofeng Tan , Wanjiang Weng , Haodong Lei , Hongsong Wang
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