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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,…

Machine Learning · Computer Science 2024-11-11 Xiaoyang Hou , Tian Zhu , Milong Ren , Dongbo Bu , Xin Gao , Chunming Zhang , Shiwei Sun

Accurate emulation of multi-scale physical systems governed by PDEs demands models that remain stable over long autoregressive rollouts while preserving fine-scale structures. Deterministic emulators produce overly-smoothed predictions,…

Optical flow estimation is a fundamental task in computer vision. Recent direct-regression methods using deep neural networks achieve remarkable performance improvement. However, they do not explicitly capture long-term motion…

Computer Vision and Pattern Recognition · Computer Science 2022-03-23 Shiyu Zhao , Long Zhao , Zhixing Zhang , Enyu Zhou , Dimitris Metaxas

Flow matching models have shown great potential in image generation tasks among probabilistic generative models. However, most flow matching models in the literature do not explicitly utilize the underlying clustering structure in the…

Computer Vision and Pattern Recognition · Computer Science 2025-10-09 Anirban Samaddar , Yixuan Sun , Viktor Nilsson , Sandeep Madireddy

As a well-known optimization framework, the Alternating Direction Method of Multipliers (ADMM) has achieved tremendous success in many classification and regression applications. Recently, it has attracted the attention of deep learning…

Machine Learning · Computer Science 2021-12-23 Junxiang Wang , Hongyi Li , Liang Zhao

Generative flow networks (GFlowNets) are a family of algorithms for training a sequential sampler of discrete objects under an unnormalized target density and have been successfully used for various probabilistic modeling tasks. Existing…

Forecasting conditional stochastic nonlinear dynamical systems is a fundamental challenge repeatedly encountered across the biological and physical sciences. While flow-based models can impressively predict the temporal evolution of…

Machine Learning · Computer Science 2025-04-02 Adam P. Generale , Andreas E. Robertson , Surya R. Kalidindi

We study the convergence of gradient flow for the training of deep neural networks. If Residual Neural Networks are a popular example of very deep architectures, their training constitutes a challenging optimization problem due notably to…

Machine Learning · Computer Science 2025-07-22 Raphaël Barboni , Gabriel Peyré , François-Xavier Vialard

Learning from expert demonstrations is a promising approach for training robotic manipulation policies from limited data. However, imitation learning algorithms require a number of design choices ranging from the input modality, training…

Robotics · Computer Science 2024-09-12 Eugenio Chisari , Nick Heppert , Max Argus , Tim Welschehold , Thomas Brox , Abhinav Valada

We introduce ContinualFlow, a principled framework for targeted unlearning in generative models via Flow Matching. Our method leverages an energy-based reweighting loss to softly subtract undesired regions of the data distribution without…

Machine Learning · Computer Science 2025-06-24 Lorenzo Simone , Davide Bacciu , Shuangge Ma

Enhancing the efficiency of high-quality image generation using Diffusion Models (DMs) is a significant challenge due to the iterative nature of the process. Flow Matching (FM) is emerging as a powerful generative modeling paradigm based on…

Computer Vision and Pattern Recognition · Computer Science 2025-05-28 Pascal Zwick , Nils Friederich , Maximilian Beichter , Lennart Hilbert , Ralf Mikut , Oliver Bringmann

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

Graph generation is a fundamental task with broad applications, such as drug discovery. Recently, discrete flow matching-based graph generation, \aka, graph flow model (GFM), has emerged due to its superior performance and flexible…

Machine Learning · Computer Science 2026-03-12 Baoheng Zhu , Deyu Bo , Delvin Ce Zhang , Xiao Wang

Guidance of generative models is typically achieved by modifying the probability flow vector field through the addition of a guidance field. In this paper, we instead propose the Source-Guided Flow Matching (SGFM) framework, which modifies…

Machine Learning · Computer Science 2025-08-25 Zifan Wang , Alice Harting , Matthieu Barreau , Michael M. Zavlanos , Karl H. Johansson

The great success neural networks have achieved is inseparable from the application of gradient-descent (GD) algorithms. Based on GD, many variant algorithms have emerged to improve the GD optimization process. The gradient for…

Machine Learning · Computer Science 2023-05-29 Zefan Li , Bingbing Ni , Teng Li , WenJun Zhang , Wen Gao

Adaptive inference is a promising technique to improve the computational efficiency of deep models at test time. In contrast to static models which use the same computation graph for all instances, adaptive networks can dynamically adjust…

Computer Vision and Pattern Recognition · Computer Science 2019-08-20 Hao Li , Hong Zhang , Xiaojuan Qi , Ruigang Yang , Gao Huang

Continual learning in robotics seeks systems that can constantly adapt to changing environments and tasks, mirroring human adaptability. A key challenge is refining dynamics models, essential for planning and control, while addressing…

Robotics · Computer Science 2025-09-09 Alejandro Murillo-Gonzalez , Lantao Liu

Diffusion models approximate the denoising distribution as a Gaussian and predict its mean, whereas flow matching models reparameterize the Gaussian mean as flow velocity. However, they underperform in few-step sampling due to…

Machine Learning · Computer Science 2025-09-03 Hansheng Chen , Kai Zhang , Hao Tan , Zexiang Xu , Fujun Luan , Leonidas Guibas , Gordon Wetzstein , Sai Bi

Distributed asynchronous offline training has received widespread attention in recent years because of its high performance on large-scale data and complex models. As data are distributed from cloud-centric to edge nodes, a big challenge…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-09-03 Chengjie Li , Ruixuan Li , Haozhao Wang , Yuhua Li , Pan Zhou , Song Guo , Keqin Li

The deep learning recipe of casting real-world problems as mathematical optimisation and tackling the optimisation by training deep neural networks using gradient-based optimisation has undoubtedly proven to be a fruitful one. The…

Machine Learning · Statistics 2023-10-24 Mihaela Claudia Rosca
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