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Generative models have become increasingly powerful tools for robot motion generation, enabling flexible and multimodal trajectory generation across various tasks. Yet, most existing approaches remain limited in handling multiple types of…

机器人学 · 计算机科学 2026-01-15 Zewen Yang , Xiaobing Dai , Dian Yu , Zhijun Li , Majid Khadiv , Sandra Hirche , Sami Haddadin

Motivation Protein fold recognition is an important problem in structural bioinformatics. Almost all traditional fold recognition methods use sequence (homology) comparison to indirectly predict the fold of a tar get protein based on the…

机器学习 · 计算机科学 2017-06-06 Jie Hou , Badri Adhikari , Jianlin Cheng

Graph-structured data jointly contain discrete topology and continuous geometry, which poses fundamental challenges for generative modeling due to heterogeneous distributions, incompatible noise dynamics, and the need for equivariant…

机器学习 · 计算机科学 2026-04-10 Rongjian Xu , Teng Pang , Zhiqiang Dong , Guoqiang Wu

We introduce $\texttt{PairFlow}$, a lightweight preprocessing step for training Discrete Flow Models (DFMs) to achieve few-step sampling without requiring a pretrained teacher. DFMs have recently emerged as a new class of generative models…

机器学习 · 计算机科学 2026-05-26 Mingue Park , Jisung Hwang , Seungwoo Yoo , Kyeongmin Yeo , Minhyuk Sung

Designing biological sequences that satisfy multiple, often conflicting, functional and biophysical criteria remains a central challenge in biomolecule engineering. While discrete flow matching models have recently shown promise for…

机器学习 · 计算机科学 2025-05-15 Tong Chen , Yinuo Zhang , Sophia Tang , Pranam Chatterjee

Accurate and real-time radio map (RM) generation is crucial for next-generation wireless systems, yet diffusion-based approaches often suffer from large model sizes, slow iterative denoising, and high inference latency, which hinder…

计算机视觉与模式识别 · 计算机科学 2025-10-13 Haozhe Jia , Wenshuo Chen , Xiucheng Wang , Nan Cheng , Hongbo Zhang , Kuimou Yu , Songning Lai , Nanjian Jia , Bowen Tian , Hongru Xiao , Yutao Yue

Generative models excel at synthesizing high-fidelity samples from complex data distributions, but they often violate hard constraints arising from physical laws or task specifications. A common remedy is to project intermediate samples…

机器学习 · 计算机科学 2025-09-30 Jinhao Liang , Yixuan Sun , Anirban Samaddar , Sandeep Madireddy , Ferdinando Fioretto

Deep learning has transformed protein design, enabling accurate structure prediction, sequence optimization, and de novo protein generation. Advances in single-chain protein structure prediction via AlphaFold2, RoseTTAFold, ESMFold, and…

机器学习 · 计算机科学 2025-02-27 Gregory W. Kyro , Tianyin Qiu , Victor S. Batista

Guidance provides a simple and effective framework for posterior sampling by steering the generation process towards the desired distribution. When modeling discrete data, existing approaches mostly focus on guidance with the first-order…

机器学习 · 计算机科学 2026-04-16 Zhengyan Wan , Yidong Ouyang , Liyan Xie , Fang Fang , Hongyuan Zha , Guang Cheng

Flow matching has recently emerged as a promising alternative to diffusion-based generative models, offering faster sampling and simpler training by learning continuous flows governed by ordinary differential equations. Despite growing…

机器学习 · 计算机科学 2025-12-02 Mudit Gaur , Prashant Trivedi , Shuchin Aeron , Amrit Singh Bedi , George K. Atia , Vaneet Aggarwal

Generating molecular graphs is crucial in drug design and discovery but remains challenging due to the complex interdependencies between nodes and edges. While diffusion models have demonstrated their potentiality in molecular graph design,…

机器学习 · 计算机科学 2024-11-11 Xiaoyang Hou , Tian Zhu , Milong Ren , Dongbo Bu , Xin Gao , Chunming Zhang , Shiwei Sun

Deep generative models such as diffusion and flow matching are powerful machine learning tools capable of learning and sampling from high-dimensional distributions. They are particularly useful when the training data appears to be…

高能物理 - 唯象学 · 物理学 2026-04-30 Zachary Bogorad , Ibrahim Elsharkawy , Yonatan Kahn , Andrew J. Larkoski , Noam Levi

We introduce a new paradigm for generative modeling built on Continuous Normalizing Flows (CNFs), allowing us to train CNFs at unprecedented scale. Specifically, we present the notion of Flow Matching (FM), a simulation-free approach for…

机器学习 · 计算机科学 2023-02-09 Yaron Lipman , Ricky T. Q. Chen , Heli Ben-Hamu , Maximilian Nickel , Matt Le

Flow matching models have emerged as a powerful method for generative modeling on domains like images or videos, and even on irregular or unstructured data like 3D point clouds or even protein structures. These models are commonly trained…

机器学习 · 计算机科学 2025-05-30 Yuyang Wang , Anurag Ranjan , Josh Susskind , Miguel Angel Bautista

Building efficient and effective generative models for neural network weights has been a research focus of significant interest that faces challenges posed by the high-dimensional weight spaces of modern neural networks and their…

机器学习 · 计算机科学 2026-05-01 Saumya Gupta , Scott Biggs , Moritz Laber , Zohair Shafi , Robin Walters , Ayan Paul

Flow matching has shown state-of-the-art performance in various generative tasks, ranging from image generation to decision-making, where generation under energy guidance (abbreviated as guidance in the following) is pivotal. However, the…

机器学习 · 计算机科学 2025-05-27 Ruiqi Feng , Chenglei Yu , Wenhao Deng , Peiyan Hu , Tailin Wu

Recent studies suggest utilizing generative models instead of traditional auto-regressive algorithms for time series forecasting (TSF) tasks. These non-auto-regressive approaches involving different generative methods, including GAN,…

机器学习 · 计算机科学 2025-03-19 Jiangxuan Long , Zhao Song , Chiwun Yang

AlphaFold3 introduces a diffusion-based architecture that elevates protein structure prediction to all-atom resolution with improved accuracy. This state-of-the-art performance has established AlphaFold3 as a foundation model for diverse…

机器学习 · 计算机科学 2026-05-19 Zhe Zhang , Yuanning Feng , Yuxuan Song , Keyue Qiu , Hao Zhou , Wei-Ying Ma

Generating high-quality time-series data is challenging because real-world signals often exhibit multimodal patterns and multiscale dynamics, including oscillations and high-frequency variations. Flow Matching (FM) offers an efficient…

机器学习 · 计算机科学 2026-05-29 Junru Zhang , Lang Feng , Jinbo Wang , Xu Guo , Yucheng Wang , Han Yu , Min Wu , Yabo Dong , Duanqing Xu

Current pre-training works in natural language generation pay little attention to the problem of exposure bias on downstream tasks. To address this issue, we propose an enhanced multi-flow sequence to sequence pre-training and fine-tuning…

计算与语言 · 计算机科学 2020-06-09 Dongling Xiao , Han Zhang , Yukun Li , Yu Sun , Hao Tian , Hua Wu , Haifeng Wang