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We introduce TANGO -- a dynamical systems inspired framework for graph representation learning that governs node feature evolution through a learned energy landscape and its associated descent dynamics. At the core of our approach is a…

机器学习 · 计算机科学 2025-08-08 Moshe Eliasof , Eldad Haber , Carola-Bibiane Schönlieb

Recent advances in large language models have highlighted the critical need for precise control over model outputs through predefined constraints. While existing methods attempt to achieve this through either direct instruction-response…

计算与语言 · 计算机科学 2025-03-27 Zhouhong Gu , Xingzhou Chen , Xiaoran Shi , Tao Wang , Suhang Zheng , Tianyu Li , Hongwei Feng , Yanghua Xiao

Reinforcement learning has significantly enhanced the reasoning capabilities of Large Language Models (LLMs) in complex problem-solving tasks. Recently, the introduction of DeepSeek R1 has inspired a surge of interest in leveraging…

机器学习 · 计算机科学 2025-08-07 Jinghang Han , Jiawei Chen , Hang Shao , Hao Ma , Mingcheng Li , Xintian Shen , Lihao Zheng , Wei Chen , Tao Wei , Lihua Zhang

Subject-driven image generation models face a fundamental trade-off between identity preservation (fidelity) and prompt adherence (editability). While online reinforcement learning (RL), specifically GPRO, offers a promising solution, we…

机器学习 · 计算机科学 2026-04-23 Ziwei Huang , Ying Shu , Hao Fang , Quanyu Long , Wenya Wang , Qiushi Guo , Tiezheng Ge , Leilei Gan

Generative design refers to computational design methods that can automatically conduct design exploration under constraints defined by designers. Among many approaches, topology optimization-based generative designs aim to explore diverse…

计算机视觉与模式识别 · 计算机科学 2022-10-04 Seowoo Jang , Soyoung Yoo , Namwoo Kang

Large reasoning models have achieved remarkable performance through extended chain-of-thought sequences, yet this computational freedom leads to excessive token generation even for simple problems. We present Length-Adaptive Policy…

人工智能 · 计算机科学 2025-08-15 Xingyu Wu , Yuchen Yan , Shangke Lyu , Linjuan Wu , Yiwen Qiu , Yongliang Shen , Weiming Lu , Jian Shao , Jun Xiao , Yueting Zhuang

One of the major applications of generative models for drug Discovery targets the lead-optimization phase. During the optimization of a lead series, it is common to have scaffold constraints imposed on the structure of the molecules…

定量方法 · 定量生物学 2021-01-05 Maxime Langevin , Herve Minoux , Maximilien Levesque , Marc Bianciotto

Recent flow matching models for text-to-image generation have achieved remarkable quality, yet their integration with reinforcement learning for human preference alignment remains suboptimal, hindering fine-grained reward-based…

计算机视觉与模式识别 · 计算机科学 2025-10-16 Xiaoxuan He , Siming Fu , Yuke Zhao , Wanli Li , Jian Yang , Dacheng Yin , Fengyun Rao , Bo Zhang

We introduce a novel approach to large language model (LLM) distillation by formulating it as a constrained reinforcement learning problem. While recent work has begun exploring the integration of task-specific rewards into distillation…

机器学习 · 计算机科学 2025-09-30 Matthieu Zimmer , Xiaotong Ji , Tu Nguyen , Haitham Bou Ammar

Creation of 3D content by stylization is a promising yet challenging problem in computer vision and graphics research. In this work, we focus on stylizing photorealistic appearance renderings of a given surface mesh of arbitrary topology.…

计算机视觉与模式识别 · 计算机科学 2022-11-04 Yongwei Chen , Rui Chen , Jiabao Lei , Yabin Zhang , Kui Jia

Molecule optimization is a fundamental task for accelerating drug discovery, with the goal of generating new valid molecules that maximize multiple drug properties while maintaining similarity to the input molecule. Existing generative…

机器学习 · 计算机科学 2024-07-02 Tianfan Fu , Cao Xiao , Xinhao Li , Lucas M. Glass , Jimeng Sun

Fine-tuning diffusion models via online reinforcement learning (RL) has shown great potential for enhancing text-to-image alignment. However, since precisely specifying a ground-truth objective for visual tasks remains challenging, the…

机器学习 · 计算机科学 2026-01-01 Haoran He , Yuxiao Ye , Jie Liu , Jiajun Liang , Zhiyong Wang , Ziyang Yuan , Xintao Wang , Hangyu Mao , Pengfei Wan , Ling Pan

We propose task-adaptive tokenization as a way to adapt the generation pipeline to the specifics of a downstream task and enhance long-form generation in mental health. Inspired by insights from cognitive science, our task-adaptive…

计算与语言 · 计算机科学 2023-11-14 Siyang Liu , Naihao Deng , Sahand Sabour , Yilin Jia , Minlie Huang , Rada Mihalcea

Recent advances in large language models (LLMs) have popularized test-time scaling, where models generate additional reasoning tokens before producing final answers. These approaches have demonstrated significant performance improvements on…

人工智能 · 计算机科学 2026-01-13 Wenxun Wu , Yuanyang Li , Guhan Chen , Linyue Wang , Hongyang Chen

Reinforcement learning has emerged as a paradigm for post-training large language models, boosting their reasoning capabilities. Such approaches compute an advantage value for each sample, reflecting better or worse performance than…

Reinforcement learning (RL), particularly GRPO, improves image generation quality significantly by comparing the relative performance of images generated within the same group. However, in the later stages of training, the model tends to…

计算机视觉与模式识别 · 计算机科学 2025-12-29 Henglin Liu , Huijuan Huang , Jing Wang , Chang Liu , Xiu Li , Xiangyang Ji

A new approach for efficiently exploring the configuration space and computing the free energy of large atomic and molecular systems is proposed, motivated by an analogy with reinforcement learning. There are two major components in this…

化学物理 · 物理学 2018-04-18 Linfeng Zhang , Han Wang , Weinan E

Drug discovery is a time-consuming and expensive process, with traditional high-throughput and docking-based virtual screening hampered by low success rates and limited scalability. Recent advances in generative modelling, including…

人工智能 · 计算机科学 2026-03-12 Junkai Ji , Zhangfan Yang , Dong Xu , Ruibin Bai , Jianqiang Li , Tingjun Hou , Zexuan Zhu

Text-to-image models produce images that align well with natural language prompts, but compositional generation has long been a central challenge. Models often struggle to satisfy multiple concepts within a single prompt, frequently…

人工智能 · 计算机科学 2026-03-20 Jungmyung Wi , Hyunsoo Kim , Donghyun Kim

Diffusion models have become prevalent in generative modeling due to their ability to sample from complex distributions. To improve the quality of generated samples and their compliance with user requirements, two commonly used methods are:…

机器学习 · 计算机科学 2025-12-01 Shervin Khalafi , Ignacio Hounie , Dongsheng Ding , Alejandro Ribeiro