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Quantum algorithms have the potential to outperform their classical counterparts in a variety of tasks. The realization of the advantage often requires the ability to load classical data efficiently into quantum states. However, the best…

Quantum Physics · Physics 2019-12-06 Christa Zoufal , Aurélien Lucchi , Stefan Woerner

Extracting insight from the enormous quantity of data generated from molecular simulations requires the identification of a small number of collective variables whose corresponding low-dimensional free-energy landscape retains the essential…

Chemical Physics · Physics 2019-12-30 Yasemin Bozkurt Varolgunes , Tristan Bereau , Joseph F. Rudzinski

Quantum machine learning (QML) has emerged as an innovative framework with the potential to uncover complex patterns by leveraging quantum systems ability to simulate and exploit high-dimensional latent spaces, particularly in learning…

Quantum Physics · Physics 2025-04-08 Ziqing Guo , Alex Khan , Victor S. Sheng , Shabnam Jabeen , Ziwen Pan

Variational Autoencoders (VAEs) are well-established as a principled approach to probabilistic unsupervised learning with neural networks. Typically, an encoder network defines the parameters of a Gaussian distributed latent space from…

Machine Learning · Computer Science 2025-05-16 Alan Jeffares , Liyuan Liu

Simulations of quantum matter rely mainly on Kohn-Sham density functional theory (DFT), which often fails for strongly correlated systems. Quantum embedding (QE) theories address this limitation by mapping the system onto an auxiliary…

Strongly Correlated Electrons · Physics 2025-12-29 Samuele Giuli , Hasanat Hasan , Benedikt Kloss , Marius S. Frank , Tsung-Han Lee , Olivier Gingras , Yong-Xin Yao , Nicola Lanatà

Learning interpretable representations of data remains a central challenge in deep learning. When training a deep generative model, the observed data are often associated with certain categorical labels, and, in parallel with learning to…

Machine Learning · Computer Science 2019-10-01 Yifan Xue , Michael Ding , Xinghua Lu

The Gaussianity assumption has been consistently criticized as a main limitation of the Variational Autoencoder (VAE) despite its efficiency in computational modeling. In this paper, we propose a new approach that expands the model capacity…

Machine Learning · Statistics 2023-10-30 Seunghwan An , Jong-June Jeon

Classical autoencoders are widely used to learn features of input data. To improve the feature learning, classical masked autoencoders extend classical autoencoders to learn the features of the original input sample in the presence of…

Quantum Physics · Physics 2026-05-01 Emma Andrews , Prabhat Mishra

Variational Autoencoders (VAEs) have recently been highly successful at imputing and acquiring heterogeneous missing data. However, within this specific application domain, existing VAE methods are restricted by using only one layer of…

Machine Learning · Computer Science 2022-12-23 Ignacio Peis , Chao Ma , José Miguel Hernández-Lobato

We would like to learn latent representations that are low-dimensional and highly interpretable. A model that has these characteristics is the Gaussian Process Latent Variable Model. The benefits and negative of the GP-LVM are complementary…

Machine Learning · Statistics 2017-12-19 Erik Bodin , Iman Malik , Carl Henrik Ek , Neill D. F. Campbell

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

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

Approximating distributions over complicated manifolds, such as natural images, are conceptually attractive. The deep latent variable model, trained using variational autoencoders and generative adversarial networks, is now a key technique…

Computer Vision and Pattern Recognition · Computer Science 2019-10-08 Wenju Xu , Shawn Keshmiri , Guanghui Wang

Autoencoders and their variants are among the most widely used models in representation learning and generative modeling. However, autoencoder-based models usually assume that the learned representations are i.i.d. and fail to capture the…

Machine Learning · Computer Science 2023-02-10 Ba-Hien Tran , Babak Shahbaba , Stephan Mandt , Maurizio Filippone

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

We develop an optimization algorithm suitable for Bayesian learning in complex models. Our approach relies on natural gradient updates within a general black-box framework for efficient training with limited model-specific derivations. It…

Machine Learning · Statistics 2022-12-13 Martin Magris , Mostafa Shabani , Alexandros Iosifidis

It is well known that artificial neural networks initialized from independent and identically distributed priors converge to Gaussian processes in the limit of a large number of neurons per hidden layer. In this work we prove an analogous…

Quantum Physics · Physics 2025-07-25 Diego García-Martín , Martin Larocca , M. Cerezo

The Bayesian treatment of neural networks dictates that a prior distribution is specified over their weight and bias parameters. This poses a challenge because modern neural networks are characterized by a large number of parameters, and…

Machine Learning · Statistics 2022-04-26 Ba-Hien Tran , Simone Rossi , Dimitrios Milios , Maurizio Filippone

Modern visual world modeling systems increasingly rely on high-capacity architectures and large-scale data to produce plausible motion, yet they often fail to preserve underlying 3D geometry or physically consistent camera dynamics. A key…

Computer Vision and Pattern Recognition · Computer Science 2026-05-01 Andrew Bond , Ilkin Umut Melanlioglu , Erkut Erdem , Aykut Erdem

Deep state-space models (DSSMs) enable temporal predictions by learning the underlying dynamics of observed sequence data. They are often trained by maximising the evidence lower bound. However, as we show, this does not ensure the model…

Machine Learning · Computer Science 2026-02-27 Alexej Klushyn , Richard Kurle , Maximilian Soelch , Botond Cseke , Patrick van der Smagt