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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…

生物大分子 · 定量生物学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

计算机视觉与模式识别 · 计算机科学 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…

计算工程、金融与科学 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

计算机视觉与模式识别 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 统计学 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,…

计算机视觉与模式识别 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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,…

宇宙学与河外天体物理 · 物理学 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…

机器学习 · 统计学 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…

机器学习 · 统计学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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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