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Understanding the dynamics of complex molecular processes is often linked to the study of infrequent transitions between long-lived stable states. The standard approach to the sampling of such rare events is to generate an ensemble of…

Computational Physics · Physics 2023-05-22 Sebastian Falkner , Alessandro Coretti , Salvatore Romano , Phillip Geissler , Christoph Dellago

Prediction of future states of the environment and interacting agents is a key competence required for autonomous agents to operate successfully in the real world. Prior work for structured sequence prediction based on latent variable…

Computer Vision and Pattern Recognition · Computer Science 2020-08-19 Apratim Bhattacharyya , Michael Hanselmann , Mario Fritz , Bernt Schiele , Christoph-Nikolas Straehle

We develop Riemannian approaches to variational autoencoders (VAEs) for PDE-type ambient data with regularizing geometric latent dynamics, which we refer to as VAE-DLM, or VAEs with dynamical latent manifolds. We redevelop the VAE framework…

Machine Learning · Computer Science 2026-01-21 Andrew Gracyk

Super-resolution is an ill-posed problem, since it allows for multiple predictions for a given low-resolution image. This fundamental fact is largely ignored by state-of-the-art deep learning based approaches. These methods instead train a…

Computer Vision and Pattern Recognition · Computer Science 2020-08-03 Andreas Lugmayr , Martin Danelljan , Luc Van Gool , Radu Timofte

Systems biology relies on mathematical models that often involve complex and intractable likelihood functions, posing challenges for efficient inference and model selection. Generative models, such as normalizing flows, have shown…

Quantitative Methods · Quantitative Biology 2023-12-06 Vincent D. Zaballa , Elliot E. Hui

The study of passive scalar transport in a turbulent velocity field leads naturally to the notion of generalized flows which are families of probability distributions on the space of solutions to the associated ODEs, which no longer satisfy…

Chaotic Dynamics · Physics 2009-10-31 Weinan E , Eric Vanden Eijnden

We present a framework for learning probability distributions on topologically non-trivial manifolds, utilizing normalizing flows. Current methods focus on manifolds that are homeomorphic to Euclidean space, enforce strong structural priors…

Machine Learning · Computer Science 2022-07-12 Dimitris Kalatzis , Johan Ziruo Ye , Alison Pouplin , Jesper Wohlert , Søren Hauberg

We build surrogate models for dynamic 3D subsurface single-phase flow problems with multiple vertical producing wells. The surrogate model provides efficient pressure estimation of the entire formation at any timestep given a stochastic…

Computational Engineering, Finance, and Science · Computer Science 2021-11-17 Rui Xu , Dongxiao Zhang , Nanzhe Wang

Variational Autoencoders (VAEs) are powerful generative models for learning latent representations. Standard VAEs generate dispersed and unstructured latent spaces by utilizing all dimensions, which limits their interpretability, especially…

Computer Vision and Pattern Recognition · Computer Science 2025-05-21 Farshad Sangari Abiz , Reshad Hosseini , Babak N. Araabi

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

Data-driven flow-field reconstruction typically relies on autoencoder architectures that compress high-dimensional states into low-dimensional latent representations. However, classical approaches such as variational autoencoders (VAEs)…

Machine Learning · Computer Science 2026-01-14 AmirPouya Hemmasian , Amir Barati Farimani

Through examples of coordinate and probability transformation between different distributions, the basic principle of normalizing flow is introduced in a simple and concise manner. From the perspective of the distribution of random variable…

Machine Learning · Computer Science 2024-01-22 Hongjun Zhang

Modeling real-world distributions can often be challenging due to sample data that are subjected to perturbations, e.g., instrumentation errors, or added random noise. Since flow models are typically nonlinear algorithms, they amplify these…

Machine Learning · Computer Science 2022-10-11 Sameera Ramasinghe , Kasun Fernando , Salman Khan , Nick Barnes

We present a novel introspective variational autoencoder (IntroVAE) model for synthesizing high-resolution photographic images. IntroVAE is capable of self-evaluating the quality of its generated samples and improving itself accordingly.…

Machine Learning · Computer Science 2018-10-30 Huaibo Huang , Zhihang Li , Ran He , Zhenan Sun , Tieniu Tan

From Physics and Biology to Seismology and Economics, the behaviour of countless systems is determined by impactful yet unlikely transitions between metastable states known as \emph{rare events}, the study of which is essential for…

Computational Physics · Physics 2025-07-22 Solomon Asghar , Qing-Xiang Pei , Giorgio Volpe , Ran Ni

The automation of probabilistic reasoning is one of the primary aims of machine learning. Recently, the confluence of variational inference and deep learning has led to powerful and flexible automatic inference methods that can be trained…

Machine Learning · Statistics 2021-02-10 Luca Ambrogioni , Gianluigi Silvestri , Marcel van Gerven

Normalizing flows are a class of flexible deep generative models that offer easy likelihood computation. Despite their empirical success, there is little theoretical understanding of their expressiveness. In this work, we study residual…

Machine Learning · Computer Science 2021-06-28 Zhifeng Kong , Kamalika Chaudhuri

Although many deep-learning-based super-resolution approaches have been proposed in recent years, because no ground truth is available in the inference stage, few can quantify the errors and uncertainties of the super-resolved results. For…

Image and Video Processing · Electrical Eng. & Systems 2023-08-10 Jingyi Shen , Han-Wei Shen

The surrogate loss of variational autoencoders (VAEs) poses various challenges to their training, inducing the imbalance between task fitting and representation inference. To avert this, the existing strategies for VAEs focus on adjusting…

Neural and Evolutionary Computing · Computer Science 2024-04-02 Zhangkai Wu , Longbing Cao , Lei Qi

Normalizing flows model a complex target distribution in terms of a bijective transform operating on a simple base distribution. As such, they enable tractable computation of a number of important statistical quantities, particularly…

Machine Learning · Computer Science 2022-09-01 Chandramouli Shama Sastry , Andreas Lehrmann , Marcus Brubaker , Alexander Radovic