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Molecular property prediction constitutes a cornerstone of drug discovery and materials science, necessitating models capable of disentangling complex structure-property relationships across diverse molecular modalities. Existing approaches…

Machine Learning · Computer Science 2026-03-24 Long Xu , Junping Guo , Jianbo Zhao , Jianbo Lu , Yuzhong Peng

The discovery of new materials is often constrained by the need for large labelled datasets or expensive simulations. In this study, we explore the use of Disentangling Autoencoders (DAEs) to learn compact and interpretable representations…

Materials Science · Physics 2025-07-29 Jaehoon Cha , Tingyao Lu , Matthew Walker , Keith T. Butler

Paradoxically, a Variational Autoencoder (VAE) could be pushed in two opposite directions, utilizing powerful decoder model for generating realistic images but collapsing the learned representation, or increasing regularization coefficient…

Machine Learning · Computer Science 2022-03-30 Trung Ngo , Najwa Laabid , Ville Hautamäki , Merja Heinäniemi

Euclidean representations distort data with intrinsic non-Euclidean structure. While Riemannian representation learning offers a solution by embedding data onto matching manifolds, it typically relies on an encoder to estimate densities on…

Machine Learning · Computer Science 2026-05-05 Andreas Bjerregaard , Søren Hauberg , Anders Krogh

A disentangled representation of a data set should be capable of recovering the underlying factors that generated it. One question that arises is whether using Euclidean space for latent variable models can produce a disentangled…

Machine Learning · Computer Science 2020-03-23 Luis A. Pérez Rey

Learning disentangled causal representations is a challenging problem that has gained significant attention recently due to its implications for extracting meaningful information for downstream tasks. In this work, we define a new notion of…

Machine Learning · Computer Science 2024-08-27 Aneesh Komanduri , Yongkai Wu , Feng Chen , Xintao Wu

Disentangled representations have recently been shown to improve fairness, data efficiency and generalisation in simple supervised and reinforcement learning tasks. To extend the benefits of disentangled representations to more complex…

As recent generative models can generate photo-realistic images, people seek to understand the mechanism behind the generation process. Interpretable generation process is beneficial to various image editing applications. In this work, we…

Computer Vision and Pattern Recognition · Computer Science 2020-12-01 Yu-Ding Lu , Hsin-Ying Lee , Hung-Yu Tseng , Ming-Hsuan Yang

In many data analysis tasks, it is beneficial to learn representations where each dimension is statistically independent and thus disentangled from the others. If data generating factors are also statistically independent, disentangled…

Machine Learning · Statistics 2019-12-12 Harshvardhan Sikka , Weishun Zhong , Jun Yin , Cengiz Pehlevan

Extracting structured representations from raw visual data is an important and long-standing challenge in machine learning. Recently, techniques for unsupervised learning of object-centric representations have raised growing interest. In…

Computer Vision and Pattern Recognition · Computer Science 2025-01-24 Riccardo Majellaro , Jonathan Collu , Aske Plaat , Thomas M. Moerland

Variational Autoencoders (VAEs) have been shown to be remarkably effective in recovering model latent spaces for several computer vision tasks. However, currently trained VAEs, for a number of reasons, seem to fall short in learning…

Machine Learning · Computer Science 2021-07-27 Chandrajit Bajaj , Avik Roy , Haoran Zhang

Variational autoencoders (VAE) represent a popular, flexible form of deep generative model that can be stochastically fit to samples from a given random process using an information-theoretic variational bound on the true underlying…

Machine Learning · Computer Science 2019-10-08 Bin Dai , Yu Wang , John Aston , Gang Hua , David Wipf

Self-supervised learning of deep neural networks has become a prevalent paradigm for learning representations that transfer to a variety of downstream tasks. Similar to proposed models of the ventral stream of biological vision, it is…

Machine Learning · Computer Science 2023-06-26 Kion Fallah , Alec Helbling , Kyle A. Johnsen , Christopher J. Rozell

One of the biggest challenges for deep learning algorithms in medical image analysis is the indiscriminate mixing of image properties, e.g. artifacts and anatomy. These entangled image properties lead to a semantically redundant feature…

Machine Learning · Computer Science 2019-08-22 Qingjie Meng , Nick Pawlowski , Daniel Rueckert , Bernhard Kainz

We propose the factorized action variational autoencoder (FAVAE), a state-of-the-art generative model for learning disentangled and interpretable representations from sequential data via the information bottleneck without supervision. The…

Machine Learning · Statistics 2019-05-31 Masanori Yamada , Heecheol Kim , Kosuke Miyoshi , Hiroshi Yamakawa

Recently, the disentangled latent space of a variational autoencoder (VAE) has been used to reason about multi-label out-of-distribution (OOD) test samples that are derived from different distributions than training samples. Disentangled…

Machine Learning · Computer Science 2025-12-12 Zahra Rahiminasab , Michael Yuhas , Arvind Easwaran

Image generating neural networks are mostly viewed as black boxes, where any change in the input can have a number of globally effective changes on the output. In this work, we propose a method for learning disentangled representations to…

Computer Vision and Pattern Recognition · Computer Science 2019-08-27 Maren Awiszus , Hanno Ackermann , Bodo Rosenhahn

Given the three dimensional complexity of a video signal, training a robust and diverse GAN based video generative model is onerous due to large stochasticity involved in data space. Learning disentangled representations of the data help to…

Computer Vision and Pattern Recognition · Computer Science 2022-01-19 Sai Hemanth Kasaraneni

Deep neural networks are susceptible to learn biased models with entangled feature representations, which may lead to subpar performances on various downstream tasks. This is particularly true for under-represented classes, where a lack of…

Computer Vision and Pattern Recognition · Computer Science 2021-11-02 Sanghyeok Chu , Dongwan Kim , Bohyung Han

Modeling group actions on latent representations enables controllable transformations of high-dimensional image data. Prior works applying group-theoretic priors or modeling transformations typically operate in the high-dimensional data…

Computer Vision and Pattern Recognition · Computer Science 2025-12-16 Farhana Hossain Swarnali , Miaomiao Zhang , Tonmoy Hossain