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Conformational sampling of biomolecules using molecular dynamics simulations often produces large amount of high dimensional data that makes it difficult to interpret using conventional analysis techniques. Dimensionality reduction methods…

Biomolecules · Quantitative Biology 2021-12-08 Mahdi Ghorbani , Samarjeet Prasad , Jeffery B. Klauda , Bernard R. Brooks

Extracting compact, physically interpretable representations from high-dimensional scientific data is a persistent challenge due to the complex, nonlinear structures inherent in physical systems. We propose a Gaussian Mixture Variational…

Machine Learning · Computer Science 2025-12-01 Tiffany Fan , Murray Cutforth , Marta D'Elia , Alexandre Cortiella , Alireza Doostan , Eric Darve

Variational autoencoders (VAE) are a powerful and widely-used class of models to learn complex data distributions in an unsupervised fashion. One important limitation of VAEs is the prior assumption that latent sample representations are…

Machine Learning · Computer Science 2018-11-27 Francesco Paolo Casale , Adrian V Dalca , Luca Saglietti , Jennifer Listgarten , Nicolo Fusi

Variational Autoencoder (VAE)-based generative models offer flexible representation learning by incorporating meta-priors, general premises considered beneficial for downstream tasks. However, the incorporated meta-priors often involve…

Machine Learning · Computer Science 2023-02-27 Nao Nakagawa , Ren Togo , Takahiro Ogawa , Miki Haseyama

Recent advances in deep learning have shown their ability to learn strong feature representations for images. The task of image clustering naturally requires good feature representations to capture the distribution of the data and…

Computer Vision and Pattern Recognition · Computer Science 2020-05-12 Vignesh Prasad , Dipanjan Das , Brojeshwar Bhowmick

Computational Fluid Dynamics (CFD) plays a pivotal role in fluid mechanics, enabling precise simulations of fluid behavior through partial differential equations (PDEs). However, traditional CFD methods are resource-intensive, particularly…

Computational Engineering, Finance, and Science · Computer Science 2025-02-06 Tiffany Fan , Murray Cutforth , Marta D'Elia , Alexandre Cortiella , Alireza Doostan , Eric Darve

Characterizing the relationship between neural population activity and behavioral data is a central goal of neuroscience. While latent variable models (LVMs) are successful in describing high-dimensional time-series data, they are typically…

Machine Learning · Computer Science 2026-02-12 Rabia Gondur , Usama Bin Sikandar , Evan Schaffer , Mikio Christian Aoi , Stephen L Keeley

Variation Autoencoder (VAE) has become a powerful tool in modeling the non-linear generative process of data from a low-dimensional latent space. Recently, several studies have proposed to use VAE for unsupervised clustering by using…

Machine Learning · Computer Science 2021-06-29 Qingyu Zhao , Nicolas Honnorat , Ehsan Adeli , Kilian M. Pohl

Variational Autoencoder (VAE) and its variations are classic generative models by learning a low-dimensional latent representation to satisfy some prior distribution (e.g., Gaussian distribution). Their advantages over GAN are that they can…

Computer Vision and Pattern Recognition · Computer Science 2020-09-24 Cong Geng , Jia Wang , Li Chen , Zhiyong Gao

The vector quantization is a widely used method to map continuous representation to discrete space and has important application in tokenization for generative mode, bottlenecking information and many other tasks in machine learning. Vector…

Machine Learning · Computer Science 2024-10-15 Mingyuan Yan , Jiawei Wu , Rushi Shah , Dianbo Liu

Variational Autoencoders (VAE) are widely used for dimensionality reduction of large-scale tabular and image datasets, under the assumption of independence between data observations. In practice, however, datasets are often correlated, with…

Machine Learning · Statistics 2024-12-25 Giora Simchoni , Saharon Rosset

This paper explores Masked Autoencoders (MAE) with Gaussian Splatting. While reconstructive self-supervised learning frameworks such as MAE learns good semantic abstractions, it is not trained for explicit spatial awareness. Our approach,…

Computer Vision and Pattern Recognition · Computer Science 2025-01-07 Jathushan Rajasegaran , Xinlei Chen , Rulilong Li , Christoph Feichtenhofer , Jitendra Malik , Shiry Ginosar

Multi-component datasets with intricate dependencies, like industrial assemblies or multi-modal imaging, challenge current generative modeling techniques. Existing Multi-component Variational AutoEncoders typically rely on simplified…

Machine Learning · Computer Science 2026-04-07 Fouad Oubari , Mohamed El-Baha , Raphael Meunier , Rodrigue Décatoire , Mathilde Mougeot

Multimodal Variational Autoencoders have emerged as a popular tool to extract effective representations from rich multimodal data. However, such models rely on fusion strategies in latent space that destroy the joint statistical structure…

Machine Learning · Computer Science 2026-03-03 Federico Caretti , Guido Sanguinetti

In this paper, we explore the use of a variational autoencoder (VAE), a deep generative model, to compress and generate images of dark matter density fields from $\Lambda$CDM like cosmological simulations. The VAE learns a compact,…

Cosmology and Nongalactic Astrophysics · Physics 2025-07-25 Jazhiel Chacón-Lavanderos , Isidro Gómez-Vargas , Ricardo Menchaca-Mendez , J. Alberto Vázquez

Recent advances in generative AI offer promising solutions for synthetic data generation but often rely on large datasets for effective training. To address this limitation, we propose a novel generative model that learns from limited data…

Machine Learning · Statistics 2025-05-27 Michail Spitieris , Massimiliano Ruocco , Abdulmajid Murad , Alessandro Nocente

Learning generative models that span multiple data modalities, such as vision and language, is often motivated by the desire to learn more useful, generalisable representations that faithfully capture common underlying factors between the…

Machine Learning · Statistics 2019-11-11 Yuge Shi , N. Siddharth , Brooks Paige , Philip H. S. Torr

Accurately quantifying uncertainty in predictions and projections arising from irreducible internal climate variability is critical for informed decision making. Such uncertainty is typically assessed using ensembles produced with physics…

Machine Learning · Computer Science 2026-02-09 Parsa Gooya , Reinel Sospedra-Alfonso , Johannes Exenberger

Variational autoencoders (VAEs) are a powerful class of deep generative latent variable model for unsupervised representation learning on high-dimensional data. To ensure computational tractability, VAEs are often implemented with a…

Machine Learning · Computer Science 2020-06-09 Alex Campbell , Pietro Liò

Interpretable machine learning is rapidly becoming a crucial tool for scientific discovery. Among existing approaches, variational autoencoders (VAEs) have shown promise in extracting the hidden physical features of some input data, with no…

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