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Statistical generative models for molecular graphs attract attention from many researchers from the fields of bio- and chemo-informatics. Among these models, invertible flow-based approaches are not fully explored yet. In this paper, we…

Machine Learning · Computer Science 2019-10-01 Shion Honda , Hirotaka Akita , Katsuhiko Ishiguro , Toshiki Nakanishi , Kenta Oono

Generative flows models enjoy the properties of tractable exact likelihood and efficient sampling, which are composed of a sequence of invertible functions. In this paper, we incorporate matrix exponential into generative flows. Matrix…

Machine Learning · Computer Science 2020-07-21 Changyi Xiao , Ligang Liu

Lossless compression methods shorten the expected representation size of data without loss of information, using a statistical model. Flow-based models are attractive in this setting because they admit exact likelihood optimization, which…

Machine Learning · Computer Science 2019-12-09 Emiel Hoogeboom , Jorn W. T. Peters , Rianne van den Berg , Max Welling

Diffusion Language Models (DLMs) are rapidly emerging as a powerful and promising alternative to the dominant autoregressive (AR) paradigm. By generating tokens in parallel through an iterative denoising process, DLMs possess inherent…

Computation and Language · Computer Science 2025-12-08 Tianyi Li , Mingda Chen , Bowei Guo , Zhiqiang Shen

Directly modeling the explicit likelihood of the raw data distribution is key topic in the machine learning area, which achieves the scaling successes in Large Language Models by autoregressive modeling. However, continuous AR modeling over…

Computer Vision and Pattern Recognition · Computer Science 2025-10-31 Guangting Zheng , Qinyu Zhao , Tao Yang , Fei Xiao , Zhijie Lin , Jie Wu , Jiajun Deng , Yanyong Zhang , Rui Zhu

We are interested in learning generative models for complex geometries described via manifolds, such as spheres, tori, and other implicit surfaces. Current extensions of existing (Euclidean) generative models are restricted to specific…

Machine Learning · Statistics 2021-11-04 Noam Rozen , Aditya Grover , Maximilian Nickel , Yaron Lipman

Computational fluid dynamics (CFD) provides high-fidelity simulations of fluid flows but remains computationally expensive for many-query applications. In recent years deep learning (DL) has been used to construct data-driven fluid-dynamic…

Machine Learning · Computer Science 2026-04-13 David Ramos , Lucas Lacasa , Fermín Gutiérrez , Eusebio Valero , Gonzalo Rubio

Many measurements or observations in computer vision and machine learning manifest as non-Euclidean data. While recent proposals (like spherical CNN) have extended a number of deep neural network architectures to manifold-valued data, and…

Computer Vision and Pattern Recognition · Computer Science 2021-03-02 Xingjian Zhen , Rudrasis Chakraborty , Liu Yang , Vikas Singh

Recent advances in generative machine learning models rekindled research interest in the area of password guessing. Data-driven password guessing approaches based on GANs, language models and deep latent variable models have shown…

Cryptography and Security · Computer Science 2021-12-15 Giulio Pagnotta , Dorjan Hitaj , Fabio De Gaspari , Luigi V. Mancini

The framework of normalizing flows provides a general strategy for flexible variational inference of posteriors over latent variables. We propose a new type of normalizing flow, inverse autoregressive flow (IAF), that, in contrast to…

Machine Learning · Computer Science 2017-02-01 Diederik P. Kingma , Tim Salimans , Rafal Jozefowicz , Xi Chen , Ilya Sutskever , Max Welling

Autoregressive models are among the best performing neural density estimators. We describe an approach for increasing the flexibility of an autoregressive model, based on modelling the random numbers that the model uses internally when…

Machine Learning · Statistics 2018-06-15 George Papamakarios , Theo Pavlakou , Iain Murray

Diffusion models have achieved significant progress in both image and video generation while still suffering from huge computation costs. As an effective solution, flow matching aims to reflow the diffusion process of diffusion models into…

Graphics · Computer Science 2025-03-13 Lei Ke , Haohang Xu , Xuefei Ning , Yu Li , Jiajun Li , Haoling Li , Yuxuan Lin , Dongsheng Jiang , Yujiu Yang , Linfeng Zhang

Decision-focused learning (DFL) integrates predictive models with downstream optimization, directly training machine learning models to minimize decision errors. While DFL has been shown to provide substantial advantages when compared to a…

Machine Learning · Computer Science 2026-03-03 Prince Zizhuang Wang , Shuyi Chen , Jinhao Liang , Ferdinando Fioretto , Shixiang Zhu

Residential Load Profile (RLP) generation and prediction are critical for the operation and planning of distribution networks, especially as diverse low-carbon technologies (e.g., photovoltaic and electric vehicles) are increasingly…

Machine Learning · Computer Science 2025-10-28 Weijie Xia , Chenguang Wang , Peter Palensky , Pedro P. Vergara

Training normalizing flow generative models can be challenging due to the need to calculate computationally expensive determinants of Jacobians. This paper studies the likelihood-free training of flows and proposes the energy objective, an…

Machine Learning · Computer Science 2023-06-26 Phillip Si , Zeyi Chen , Subham Sekhar Sahoo , Yair Schiff , Volodymyr Kuleshov

Generative AI (GenAI) has revolutionized data-driven modeling by enabling the synthesis of high-dimensional data across various applications, including image generation, language modeling, biomedical signal processing, and anomaly…

Machine Learning · Computer Science 2025-09-09 Yao Xie , Xiuyuan Cheng

Generative Flow Networks (GFNs) were initially introduced on directed acyclic graphs to sample from an unnormalized distribution density. Recent works have extended the theoretical framework for generative methods allowing more flexibility…

Machine Learning · Computer Science 2025-05-07 Leo Maxime Brunswic , Mateo Clemente , Rui Heng Yang , Adam Sigal , Amir Rasouli , Yinchuan Li

One-step generative modeling seeks to generate high-quality data samples in a single function evaluation, significantly improving efficiency over traditional diffusion or flow-based models. In this work, we introduce Modular MeanFlow (MMF),…

Machine Learning · Computer Science 2025-08-26 Haochen You , Baojing Liu , Hongyang He

Deep generative models are often used for human motion prediction as they are able to model multi-modal data distributions and characterize diverse human behavior. While much care has been taken into designing and learning deep generative…

Computer Vision and Pattern Recognition · Computer Science 2020-07-23 Ye Yuan , Kris Kitani

While generative models have seen significant adoption across a wide range of data modalities, including 3D data, a consensus on which model is best suited for which task has yet to be reached. Further, conditional information such as text…

Computer Vision and Pattern Recognition · Computer Science 2026-01-21 Matthias Humt , Ulrich Hillenbrand , Rudolph Triebel