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Recently, molecule generation using deep learning has been actively investigated in drug discovery. In this field, Transformer and VAE are widely used as powerful models, but they are rarely used in combination due to structural and…

Biomolecules · Quantitative Biology 2024-04-08 Yasuhiro Yoshikai , Tadahaya Mizuno , Shumpei Nemoto , Hiroyuki Kusuhara

Variational Auto-Encoders (VAEs) are capable of learning latent representations for high dimensional data. However, due to the i.i.d. assumption, VAEs only optimize the singleton variational distributions and fail to account for the…

Machine Learning · Computer Science 2020-04-20 Da Tang , Dawen Liang , Tony Jebara , Nicholas Ruozzi

Deep generative models with discrete latent space, such as the Vector-Quantized Variational Autoencoder (VQ-VAE), offer excellent data generation capabilities, but, due to the large size of their latent space, their probabilistic inference…

Machine Learning · Computer Science 2025-09-03 Armin Hadžić , Milan Papez , Tomáš Pevný

Explainable AI has the potential to support more interactive and fluid co-creative AI systems which can creatively collaborate with people. To do this, creative AI models need to be amenable to debugging by offering eXplainable AI (XAI)…

Artificial Intelligence · Computer Science 2023-08-11 Nick Bryan-Kinns , Berker Banar , Corey Ford , Courtney N. Reed , Yixiao Zhang , Simon Colton , Jack Armitage

Variational AutoEncoders (VAEs) are powerful generative models that merge elements from statistics and information theory with the flexibility offered by deep neural networks to efficiently solve the generation problem for high dimensional…

Machine Learning · Computer Science 2021-03-02 A. Asperti , D. Evangelista , E. Loli Piccolomini

Generative modeling and self-supervised learning have in recent years made great strides towards learning from data in a completely unsupervised way. There is still however an open area of investigation into guiding a neural network to…

Machine Learning · Computer Science 2023-05-17 Vaishnavi Patil , Matthew Evanusa , Joseph JaJa

This paper proposes an interpretable non-model sharing collaborative data analysis method as one of the federated learning systems, which is an emerging technology to analyze distributed data. Analyzing distributed data is essential in many…

Machine Learning · Computer Science 2020-11-10 Akira Imakura , Hiroaki Inaba , Yukihiko Okada , Tetsuya Sakurai

We develop a framework for incorporating structured graphical models in the \emph{encoders} of variational autoencoders (VAEs) that allows us to induce interpretable representations through approximate variational inference. This allows us…

Variational autoencoder (VAE) neural networks can be trained to generate power system states that capture both marginal distribution and multivariate dependencies of historical data. The coordinates of the latent space codes of VAEs have…

Systems and Control · Electrical Eng. & Systems 2023-03-22 Chenguang Wang , Ensieh Sharifnia , Simon H. Tindemans , Peter Palensky

The number of information systems (IS) studies dealing with explainable artificial intelligence (XAI) is currently exploding as the field demands more transparency about the internal decision logic of machine learning (ML) models. However,…

Machine Learning · Computer Science 2022-04-21 Patrick Zschech , Sven Weinzierl , Nico Hambauer , Sandra Zilker , Mathias Kraus

The interpretability of generative models is considered a key factor in demonstrating their effectiveness and controllability. The generated data are believed to be determined by latent variables that are not directly observable. Therefore,…

Machine Learning · Statistics 2025-08-14 Yuan-Hao Wei , Fu-Hao Deng , Lin-Yong Cui , Yan-Jie Sun

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

Learning interpretable representations of data generative latent factors is an important topic for the development of artificial intelligence. With the rise of the large multimodal model, it can align images with text to generate answers.…

Machine Learning · Computer Science 2024-04-19 Mengdan Zhu , Zhenke Liu , Bo Pan , Abhinav Angirekula , Liang Zhao

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

We view disentanglement learning as discovering an underlying structure that equivariantly reflects the factorized variations shown in data. Traditionally, such a structure is fixed to be a vector space with data variations represented by…

Machine Learning · Computer Science 2021-06-08 Xinqi Zhu , Chang Xu , Dacheng Tao

Learning meaningful latent representations from nonlinear fMRI data remains a fundamental challenge in neuroimaging analysis. Traditional independent component analysis, widely used due to its ability to estimate interpretable functional…

Machine Learning · Computer Science 2026-05-19 Qiang Li , Shujian Yu , Jesus Malo , Jingyu Liu , Tülay Adali , Vince D. Calhoun

We introduce a generic, compositional and interpretable class of generative world models that supports open-ended learning agents. This is a sparse class of Bayesian networks capable of approximating a broad range of stochastic processes,…

Artificial Intelligence · Computer Science 2024-10-16 Lancelot Da Costa

Deep learning (DL) methods where interpretability is intrinsically considered as part of the model are required to better understand the relationship of clinical and imaging-based attributes with DL outcomes, thus facilitating their use in…

Image and Video Processing · Electrical Eng. & Systems 2022-12-13 Irem Cetin , Maialen Stephens , Oscar Camara , Miguel Angel Gonzalez Ballester

Generative AI models for music and the arts in general are increasingly complex and hard to understand. The field of eXplainable AI (XAI) seeks to make complex and opaque AI models such as neural networks more understandable to people. One…

Sound · Computer Science 2024-02-06 Nick Bryan-Kinns , Bingyuan Zhang , Songyan Zhao , Berker Banar

After deep generative models were successfully applied to image generation tasks, learning disentangled latent variables of data has become a crucial part of deep generative model research. Many models have been proposed to learn an…

Machine Learning · Computer Science 2019-07-08 Sangchul Hahn , Heeyoul Choi