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Multi-attribute classification generalizes classification, presenting new challenges for making accurate predictions and quantifying uncertainty. We build upon recent work and show that architectures for multi-attribute prediction can be…

Computer Vision and Pattern Recognition · Computer Science 2021-08-10 Jacob Kelly , Richard Zemel , Will Grathwohl

Flow-matching policies have emerged as a powerful paradigm for generalist robotics. These models are trained to imitate an action chunk, conditioned on sensor observations and textual instructions. Often, training demonstrations are…

Machine Learning · Computer Science 2025-07-22 Samuel Pfrommer , Yixiao Huang , Somayeh Sojoudi

Numerical modeling and simulation of two-phase flow in porous media is challenging due to the uncertainties in key parameters, such as permeability. To address these challenges, we propose a computational framework by utilizing the novel…

Numerical Analysis · Mathematics 2025-05-13 Ruoyu Hu , Sanjeeb Poudel , Feng Bao , Sanghyun Lee

We present Preference Flow Matching (PFM), a new framework for preference-based reinforcement learning (PbRL) that streamlines the integration of preferences into an arbitrary class of pre-trained models. Existing PbRL methods require…

Machine Learning · Computer Science 2024-10-29 Minu Kim , Yongsik Lee , Sehyeok Kang , Jihwan Oh , Song Chong , Se-Young Yun

Likelihood-free inference is quickly emerging as a powerful tool to perform fast/effective parameter estimation. We demonstrate a technique of optimizing likelihood-free inference to make it even faster by marginalizing symmetries in a…

Machine Learning · Computer Science 2023-12-14 Deep Chatterjee , Philip C. Harris , Maanas Goel , Malina Desai , Michael W. Coughlin , Erik Katsavounidis

Modeling stochastic dynamics from discrete observations is a key interdisciplinary challenge. Existing methods often fail to estimate the continuous evolution of probability densities from trajectories or face the curse of dimensionality.…

Computational Engineering, Finance, and Science · Computer Science 2025-12-02 Ruikun Li , Jiazhen Liu , Huandong Wang , Qingmin Liao , Yong Li

Flow and diffusion-based models have emerged as powerful tools for scientific applications, particularly for sampling non-normalized probability distributions, as exemplified by Boltzmann Generators (BGs). A critical challenge in deploying…

Machine Learning · Statistics 2025-10-27 Johann Flemming Gloy , Simon Olsson

Recent advances in generative modeling have led to promising results in robot motion planning, particularly through diffusion and flow matching (FM)-based models that capture complex, multimodal trajectory distributions. However, these…

Robotics · Computer Science 2025-11-13 Xiaobing Dai , Zewen Yang , Dian Yu , Fangzhou Liu , Hamid Sadeghian , Sami Haddadin , Sandra Hirche

Flow Matching (FM) policies have emerged as an efficient backbone for robotic control, offering fast and expressive action generation that underpins recent large-scale embodied AI systems. However, FM policies trained via imitation learning…

Robotics · Computer Science 2026-04-14 Xiaotian Qiu , Lukai Chen , Jinhao Li , Qi Sun , Cheng Zhuo , Guohao Dai

Normalizing flow is a class of deep generative models for efficient sampling and likelihood estimation, which achieves attractive performance, particularly in high dimensions. The flow is often implemented using a sequence of invertible…

Machine Learning · Statistics 2024-02-19 Chen Xu , Xiuyuan Cheng , Yao Xie

Diffusion models offer powerful generative capabilities for robot trajectory planning, yet their practical deployment on robots is hindered by a critical bottleneck: a reliance on imitation learning from expert demonstrations. This paradigm…

Robotics · Computer Science 2026-02-25 Lei Ye , Haibo Gao , Peng Xu , Zhelin Zhang , Junqi Shan , Ao Zhang , Wei Zhang , Ruyi Zhou , Zongquan Deng , Liang Ding

Energy-based models (EBMs) offer a flexible framework for parameterizing probability distributions using neural networks. However, learning EBMs by exact maximum likelihood estimation (MLE) is generally intractable, due to the need to…

Machine Learning · Computer Science 2025-08-20 Michael E. Sander , Vincent Roulet , Tianlin Liu , Mathieu Blondel

Normalizing Flows (NFs) are a class of generative models distinguished by a mathematically invertible architecture, where the forward pass transforms data into a latent space for density estimation, and the reverse pass generates new…

Computer Vision and Pattern Recognition · Computer Science 2025-12-05 Yang Chen , Xiaowei Xu , Shuai Wang , Chenhui Zhu , Ruxue Wen , Xubin Li , Tiezheng Ge , Limin Wang

Recent progress in flow-based generative models and reinforcement learning (RL) has improved text-image alignment and visual quality. However, current RL training for flow models still has two main problems: (i) GRPO-style fixed per-prompt…

Computer Vision and Pattern Recognition · Computer Science 2026-01-13 Kaijie Chen , Zhiyang Xu , Ying Shen , Zihao Lin , Yuguang Yao , Lifu Huang

Prior flow matching methods in robotics have primarily learned velocity fields to morph one distribution of trajectories into another. In this work, we extend flow matching to capture second-order trajectory dynamics, incorporating…

Robotics · Computer Science 2025-03-11 Khang Nguyen , An T. Le , Tien Pham , Manfred Huber , Jan Peters , Minh Nhat Vu

We propose a framework using normalizing-flow based models, SELF-Referencing Embedded Strings, and multi-objective optimization that efficiently generates small molecules. With an initial training set of only 100 small molecules, FastFlows…

Chemical Physics · Physics 2022-02-01 Nathan C. Frey , Vijay Gadepally , Bharath Ramsundar

Flow-based generative modeling in continuous spaces exploit Tweedie's formula to express the denoiser (learned in training) as a score function (used in sampling). In contrast, this relation has been largely missing in the discrete setting…

Machine Learning · Computer Science 2026-05-04 Yair Shenfeld , Ricardo Baptista , Stefano Peluchetti

Structure-based drug design (SBDD), aiming to generate 3D molecules with high binding affinity toward target proteins, is a vital approach in novel drug discovery. Although recent generative models have shown great potential, they suffer…

Machine Learning · Computer Science 2025-11-05 Jingyuan Zhou , Hao Qian , Shikui Tu , Lei Xu

Continuous normalizing flows (CNFs) learn an ordinary differential equation to transform prior samples into data. Flow matching (FM) has recently emerged as a simulation-free approach for training CNFs by regressing a velocity model towards…

Machine Learning · Statistics 2024-05-28 Tianyu Xie , Yu Zhu , Longlin Yu , Tong Yang , Ziheng Cheng , Shiyue Zhang , Xiangyu Zhang , Cheng Zhang

There is growing interest in utilizing flow-based models as decision-making policies in reinforcement learning due to their high expressive capacity. However, effectively leveraging this expressivity for value maximization remains…

Machine Learning · Computer Science 2026-05-14 JaeHyeok Doo , Byeongguk Jeon , Seonghyeon Ye , Kimin Lee , Minjoon Seo
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