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Bayesian posterior inference is prevalent in various machine learning problems. Variational inference provides one way to approximate the posterior distribution, however its expressive power is limited and so is the accuracy of resulting…

Machine Learning · Computer Science 2018-07-11 Guoqing Zheng , Yiming Yang , Jaime Carbonell

This paper is about the problem of learning a stochastic policy for generating an object (like a molecular graph) from a sequence of actions, such that the probability of generating an object is proportional to a given positive reward for…

Machine Learning · Computer Science 2021-11-22 Emmanuel Bengio , Moksh Jain , Maksym Korablyov , Doina Precup , Yoshua Bengio

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…

Machine Learning · Computer Science 2025-12-02 Mudit Gaur , Prashant Trivedi , Shuchin Aeron , Amrit Singh Bedi , George K. Atia , Vaneet Aggarwal

Diffusion models have recently emerged as expressive policy representations for online reinforcement learning (RL). However, their iterative generative processes introduce substantial training and inference overhead. To overcome this…

Machine Learning · Computer Science 2026-04-17 Xiaoyi Dong , Xi Sheryl Zhang , Jian Cheng

Deep learning-based generative models have emerged as powerful tools for modeling complex data distributions and generating high-fidelity samples, offering a transformative approach to efficiently explore the configuration space of…

Materials Science · Physics 2025-11-12 Xiaoshan Luo , Zhenyu Wang , Qingchang Wang , Jian Lv , Lei Wang , Yanchao Wang , Yanming Ma

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

Data heterogeneity hinders clinical deployment of medical image analysis models, and generative data augmentation helps mitigate this issue. However, recent diffusion-based methods that synthesize image-mask pairs often ignore distribution…

Image and Video Processing · Electrical Eng. & Systems 2026-04-06 Jie Yang , Ziqi Ye , Aihua Ke , Jian Luo , Bo Cai , Xiaosong Wang

Generative modeling provides a powerful framework for learning data distributions. These models initially relied on probabilistic methods such as Gaussian Processes (GP) for uncertainty-aware predictions and shifted towards larger trainable…

In many applications, it is important to reconstruct a fluid flow field, or some other high-dimensional state, from limited measurements and limited data. In this work, we propose a shallow neural network-based learning methodology for such…

Identifiability, or recovery of the true latent representations from which the observed data originates, is de facto a fundamental goal of representation learning. Yet, most deep generative models do not address the question of…

Machine Learning · Computer Science 2020-04-28 Shen Li , Bryan Hooi , Gim Hee Lee

Originating from the diffusion phenomenon in physics that describes particle movement, the diffusion generative models inherit the characteristics of stochastic random walk in the data space along the denoising trajectory. However, the…

Computer Vision and Pattern Recognition · Computer Science 2024-03-19 Ruoyu Wang , Yongqi Yang , Zhihao Qian , Ye Zhu , Yu Wu

Flow models are effective at progressively generating realistic images, but they generally struggle to capture long-range dependencies during the generation process as they compress all the information from previous time steps into a single…

Computer Vision and Pattern Recognition · Computer Science 2025-06-17 Mude Hui , Rui-Jie Zhu , Songlin Yang , Yu Zhang , Zirui Wang , Yuyin Zhou , Jason Eshraghian , Cihang Xie

In image restoration, single-step discriminative mappings often lack fine details via expectation learning, whereas generative paradigms suffer from inefficient multi-step sampling and noise-residual coupling. To address this dilemma, we…

Computer Vision and Pattern Recognition · Computer Science 2026-04-22 Zihao Fan , Xin Lu , Jie Xiao , Dong Li , Jie Huang , Xueyang Fu

Recent advancements in generative modeling, particularly diffusion models, have opened new directions for time series modeling, achieving state-of-the-art performance in forecasting and synthesis. However, the reliance of diffusion-based…

Machine Learning · Computer Science 2025-05-13 Marcel Kollovieh , Marten Lienen , David Lüdke , Leo Schwinn , Stephan Günnemann

Molecular discovery is increasingly framed as an inverse design problem: identifying molecular structures that satisfy desired property profiles under feasibility constraints. While recent generative models provide continuous latent…

Machine Learning · Computer Science 2026-03-31 Alexander Arjun Lobo , Urvi Awasthi , Leonid Zhukov

Generating high-dimensional visual modalities is a computationally intensive task. A common solution is progressive generation, where the outputs are synthesized in a coarse-to-fine spectral autoregressive manner. While diffusion models…

Computer Vision and Pattern Recognition · Computer Science 2025-06-25 Moayed Haji-Ali , Willi Menapace , Ivan Skorokhodov , Arpit Sahni , Sergey Tulyakov , Vicente Ordonez , Aliaksandr Siarohin

Flow matching has emerged as a powerful generative framework, with recent few-step methods achieving remarkable inference acceleration. However, we identify a critical yet overlooked limitation: these models suffer from severe diversity…

Machine Learning · Computer Science 2026-04-15 Yexiong Lin , Jia Shi , Shanshan Ye , Wanyu Wang , Yu Yao , Tongliang Liu

New technologies such as Rectified Flow and Flow Matching have significantly improved the performance of generative models in the past two years, especially in terms of control accuracy, generation quality, and generation efficiency.…

Computer Vision and Pattern Recognition · Computer Science 2026-01-09 Sen Fang , Hongbin Zhong , Yalin Feng , Yanxin Zhang , Dimitris N. Metaxas

Markov chain Monte Carlo (MCMC) methods are fundamental to Bayesian computation, but can be computationally intensive, especially in high-dimensional settings. Push-forward generative models, such as generative adversarial networks (GANs),…

Machine Learning · Computer Science 2026-02-25 Jonathan Spence , Tobías I. Liaudat , Konstantinos Zygalakis , Marcelo Pereyra

In this paper, we present Laplacian multiscale flow matching (LapFlow), a novel framework that enhances flow matching by leveraging multi-scale representations for image generative modeling. Our approach decomposes images into Laplacian…

Computer Vision and Pattern Recognition · Computer Science 2026-02-24 Zelin Zhao , Petr Molodyk , Haotian Xue , Yongxin Chen