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Optimization in the latent space of variational autoencoders is a promising approach to generate high-dimensional discrete objects that maximize an expensive black-box property (e.g., drug-likeness in molecular generation, function…

Machine Learning · Computer Science 2021-07-02 Pascal Notin , José Miguel Hernández-Lobato , Yarin Gal

Learning operators from data is central to scientific machine learning. While DeepONets are widely used for their ability to handle complex domains, they require fixed sensor numbers and locations, lack mechanisms for uncertainty…

Machine Learning · Computer Science 2026-05-12 Lei Ma , Ling Guo , Hao Wu , Tao Zhou

Computing atomic-scale properties of chemically disordered materials requires an efficient exploration of their vast configuration space. Traditional approaches such as Monte Carlo or Special Quasirandom Structures either entail sampling an…

Materials Science · Physics 2026-03-17 Maciej J. Karcz , Luca Messina , Eiji Kawasaki , Emeric Bourasseau

Learning interpretable and disentangled representations of data is a key topic in machine learning research. Variational Autoencoder (VAE) is a scalable method for learning directed latent variable models of complex data. It employs a clear…

Machine Learning · Computer Science 2020-06-04 Andriy Serdega , Dae-Shik Kim

It is a very challenging task to identify the objectives on which a certain decision was based, in particular if several, potentially conflicting criteria are equally important and a continuous set of optimal compromise decisions exists.…

Optimization and Control · Mathematics 2021-03-05 Bennet Gebken , Sebastian Peitz

Unreliable predictions can occur when using artificial intelligence (AI) systems with negative consequences for downstream applications, particularly when employed for decision-making. Conformal prediction provides a model-agnostic…

Machine Learning · Computer Science 2024-01-15 Geethen Singh , Glenn Moncrieff , Zander Venter , Kerry Cawse-Nicholson , Jasper Slingsby , Tamara B Robinson

Existing vector quantization (VQ) based autoregressive models follow a two-stage generation paradigm that first learns a codebook to encode images as discrete codes, and then completes generation based on the learned codebook. However, they…

Computer Vision and Pattern Recognition · Computer Science 2023-05-22 Mengqi Huang , Zhendong Mao , Zhuowei Chen , Yongdong Zhang

Uncertainty Quantification (UQ) is essential in probabilistic machine learning models, particularly for assessing the reliability of predictions. In this paper, we present a systematic framework for estimating both epistemic and aleatoric…

Machine Learning · Statistics 2025-09-11 Marzieh Ajirak , Anand Ravishankar , Petar M. Djuric

We propose a quantum implicit neural representation (QINR)-based autoencoder (AE) and variational autoencoder (VAE) for image reconstruction and generation tasks. Our purpose is to demonstrate that the QINR in VAEs and AEs can transform…

Machine Learning · Computer Science 2026-03-17 Saadet Müzehher Eren

Modern image encoders achieve high generalization by decoupling semantic meaning from resolution, an ability yet to be fully realized in the 3D domain. We investigate the failure of 3D point cloud encoders to achieve similar generalization…

Computer Vision and Pattern Recognition · Computer Science 2026-05-18 Chun-Peng Chang , Shaoxiang Wang , Alain Pagani , Dariu Gavrila , Holger Caesar

Deep learning can accurately represent sub-grid-scale convective processes in climate models, learning from high resolution simulations. However, deep learning methods usually lack interpretability due to large internal dimensionality,…

Atmospheric and Oceanic Physics · Physics 2022-09-07 Gunnar Behrens , Tom Beucler , Pierre Gentine , Fernando Iglesias-Suarez , Michael Pritchard , Veronika Eyring

Bound-to-Bound Data Collaboration (B2BDC) provides a natural framework for addressing both forward and inverse uncertainty quantification problems. In this approach, QOI (quantity of interest) models are constrained by related experimental…

Optimization and Control · Mathematics 2019-04-02 Arun Hegde , Wenyu Li , James Oreluk , Andrew Packard , Michael Frenklach

We combine conditional variational autoencoders (VAE) with adversarial censoring in order to learn invariant representations that are disentangled from nuisance/sensitive variations. In this method, an adversarial network attempts to…

Machine Learning · Computer Science 2018-05-22 Ye Wang , Toshiaki Koike-Akino , Deniz Erdogmus

In recent years, operator learning, particularly the DeepONet, has received much attention for efficiently learning complex mappings between input and output functions across diverse fields. However, in practical scenarios with limited and…

Machine Learning · Computer Science 2024-03-07 Andrew Pensoneault , Xueyu Zhu

We investigate the potential of adaptive blind equalizers based on variational inference for carrier recovery in optical communications. These equalizers are based on a low-complexity approximation of maximum likelihood channel estimation.…

Signal Processing · Electrical Eng. & Systems 2022-09-16 Vincent Lauinger , Fred Buchali , Laurent Schmalen

Anomaly detection is a classical but worthwhile problem, and many deep learning-based anomaly detection algorithms have been proposed, which can usually achieve better detection results than traditional methods. In view of reconstruct…

Machine Learning · Computer Science 2020-04-16 Chunkai Zhang , Shaocong Li , Hongye Zhang , Yingyang Chen

Uncertainty quantification in PDE inverse problems is essential in many applications. Scientific machine learning and AI enable data-driven learning of model components while preserving physical structure, and provide the scalability and…

Machine Learning · Computer Science 2026-01-12 Ray Zirui Zhang , Christopher E. Miles , Xiaohui Xie , John S. Lowengrub

The ultimate purpose of most computational models is to make predictions, commonly in support of some decision-making process (e.g., for design or operation of some system). The quantities that need to be predicted (the quantities of…

Data Analysis, Statistics and Probability · Physics 2015-06-19 Todd A. Oliver , Gabriel Terejanu , Christopher S. Simmons , Robert D. Moser

Variational autoencoders (VAEs) are fundamental for generative modeling and image reconstruction, yet their performance often struggles to maintain high fidelity in reconstructions. This study introduces a hybrid model, quantum variational…

Computer Vision and Pattern Recognition · Computer Science 2025-03-10 Farina Riaz , Fakhar Zaman , Hajime Suzuki , Sharif Abuadbba , David Nguyen

A new data-driven method for operator learning of stochastic differential equations(SDE) is proposed in this paper. The central goal is to solve forward and inverse stochastic problems more effectively using limited data. Deep operator…

Machine Learning · Statistics 2022-04-08 Jiahao Zhang , Shiqi Zhang , Guang Lin
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