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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

Autoencoders exhibit impressive abilities to embed the data manifold into a low-dimensional latent space, making them a staple of representation learning methods. However, without explicit supervision, which is often unavailable, the…

Machine Learning · Computer Science 2023-01-12 Felix Leeb , Stefan Bauer , Michel Besserve , Bernhard Schölkopf

Hybrid variational quantum algorithms are promising for solving practical problems, such as combinatorial optimization, quantum chemistry simulation, quantum machine learning, and quantum error correction on noisy quantum computers.…

The need for interpretable models has fostered the development of self-explainable classifiers. Prior approaches are either based on multi-stage optimization schemes, impacting the predictive performance of the model, or produce…

Variational autoencoders are prominent generative models for modeling discrete data. However, with flexible decoders, they tend to ignore the latent codes. In this paper, we study a VAE model with a deterministic decoder (DD-VAE) for…

Machine Learning · Computer Science 2020-03-05 Daniil Polykovskiy , Dmitry Vetrov

Physical imaging is a foundational characterization method in areas from condensed matter physics and chemistry to astronomy and spans length scales from atomic to universe. Images encapsulate crucial data regarding atomic bonding,…

The variational autoencoder (VAE) can learn the manifold of natural images on certain datasets, as evidenced by meaningful interpolating or extrapolating in the continuous latent space. However, on discrete data such as text, it is unclear…

Computation and Language · Computer Science 2020-08-10 Peng Xu , Jackie Chi Kit Cheung , Yanshuai Cao

Probabilistic generative models are attractive for scientific modeling because their inferred parameters can be used to generate hypotheses and design experiments. This requires that the learned model provide an accurate representation of…

Machine Learning · Statistics 2023-01-18 Liyun Tu , Austin Talbot , Neil Gallagher , David Carlson

Quantitative imaging methods, such as magnetic resonance fingerprinting (MRF), aim to extract interpretable pathology biomarkers by estimating biophysical tissue parameters from signal evolutions. However, the pattern-matching algorithms or…

Partial Differential Equations (PDEs) with high dimensionality are commonly encountered in computational physics and engineering. However, finding solutions for these PDEs can be computationally expensive, making model-order reduction…

Machine Learning · Statistics 2023-03-07 Sebastian Kaltenbach , Phaedon-Stelios Koutsourelakis , Petros Koumoutsakos

Quantum autoencoder (QAE) compresses a bipartite quantum state into its subsystem by a self-checking mechanism. How to characterize the lost information in this process is essential to understand the compression mechanism of QAE\@. Here we…

Quantum Physics · Physics 2024-04-15 Yibin Huang , Muchun Yang , D. L. Zhou

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

The best encoding is the one that is interpretable in nature. In this work, we introduce a novel model that incorporates an interpretable bottleneck-termed the Filter Bank (FB)-at the outset of a Variational Autoencoder (VAE). This…

Machine Learning · Statistics 2023-10-19 Óscar Jiménez Rama , Fernando Moreno-Pino , David Ramírez , Pablo M. Olmos

In this paper we demonstrate methods for reliable and efficient training of discrete representation using Vector-Quantized Variational Auto-Encoder models (VQ-VAEs). Discrete latent variable models have been shown to learn nontrivial…

Variational Autoencoders for multimodal data hold promise for many tasks in data analysis, such as representation learning, conditional generation, and imputation. Current architectures either share the encoder output, decoder input, or…

Learning disentanglement aims at finding a low dimensional representation which consists of multiple explanatory and generative factors of the observational data. The framework of variational autoencoder (VAE) is commonly used to…

Machine Learning · Computer Science 2023-12-20 Mengyue Yang , Furui Liu , Zhitang Chen , Xinwei Shen , Jianye Hao , Jun Wang

The frequent interactions between quantum computing and machine learning revolutionize both fields. One prototypical achievement is the quantum auto-encoder (QAE), as the leading strategy to relieve the curse of dimensionality ubiquitous in…

Quantum Physics · Physics 2024-10-03 Yuxuan Du , Dacheng Tao

Variational Auto-Encoder (VAE) has been widely applied as a fundamental generative model in machine learning. For complex samples like imagery objects or scenes, however, VAE suffers from the dimensional dilemma between reconstruction…

Machine Learning · Computer Science 2020-02-18 Deli Zhao , Jiapeng Zhu , Bo Zhang

A longstanding computational challenge is the accurate simulation of many-body particle systems. Especially for deriving key characteristics of high-impact but complex systems such as battery materials and high entropy alloys (HEA). While…

Quantum Physics · Physics 2025-11-20 Koen Mesman , Yinglu Tang , Matthias Moller , Boyang Chen , Sebastian Feld

Advancements in optical quantum technologies have been enabled by the generation, manipulation, and characterization of light, with identification based on its photon statistics. However, characterizing light and its sources through single…

Quantum Physics · Physics 2024-05-09 Mahesh Bhupati , Abhishek Mall , Anshuman Kumar , Pankaj K. Jha