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Variational autoencoder (VAE) is a deep generative model for unsupervised learning, allowing to encode observations into the meaningful latent space. VAE is prone to catastrophic forgetting when tasks arrive sequentially, and only the data…

Machine Learning · Computer Science 2021-11-04 Anna Kuzina , Evgenii Egorov , Evgeny Burnaev

Bayesian Optimization (BO) is a widely used approach for blackbox optimization that leverages a Gaussian process (GP) model and an acquisition function to guide future sampling. While effective in low-dimensional settings, BO faces…

Machine Learning · Computer Science 2025-11-26 Pavankumar Koratikere , Leifur Leifsson

We study the problem of performance optimization of closed-loop control systems with unmodeled dynamics. Bayesian optimization (BO) has been demonstrated to be effective for improving closed-loop performance by automatically tuning…

Machine Learning · Computer Science 2023-01-31 Wenjie Xu , Colin N Jones , Bratislav Svetozarevic , Christopher R. Laughman , Ankush Chakrabarty

As deep Variational Auto-Encoder (VAE) frameworks become more widely used for modeling biomolecular simulation data, we emphasize the capability of the VAE architecture to concurrently maximize the timescale of the latent space while…

Chemical Physics · Physics 2021-12-08 Hannah K. Wayment-Steele , Vijay S. Pande

Optimizing discrete black-box functions is key in several domains, e.g. protein engineering and drug design. Due to the lack of gradient information and the need for sample efficiency, Bayesian optimization is an ideal candidate for these…

We present Ordinary Differential Equation Variational Auto-Encoder (ODE$^2$VAE), a latent second order ODE model for high-dimensional sequential data. Leveraging the advances in deep generative models, ODE$^2$VAE can simultaneously learn…

Machine Learning · Statistics 2019-10-25 Çağatay Yıldız , Markus Heinonen , Harri Lähdesmäki

We consider the problem of optimizing expensive black-box functions over high-dimensional combinatorial spaces which arises in many science, engineering, and ML applications. We use Bayesian Optimization (BO) and propose a novel surrogate…

Machine Learning · Computer Science 2023-03-06 Aryan Deshwal , Sebastian Ament , Maximilian Balandat , Eytan Bakshy , Janardhan Rao Doppa , David Eriksson

Although Bayesian Optimization (BO) has been employed for accelerating materials design in computational materials engineering, existing works are restricted to problems with quantitative variables. However, real designs of materials…

Machine Learning · Statistics 2019-10-07 Yichi Zhang , Daniel Apley , Wei Chen

Variational autoencoders (VAEs) are one of the powerful unsupervised learning frameworks in NLP for latent representation learning and latent-directed generation. The classic optimization goal of VAEs is to maximize the Evidence Lower Bound…

Machine Learning · Computer Science 2022-11-02 Jianfei Zhang , Jun Bai , Chenghua Lin , Yanmeng Wang , Wenge Rong

When designing variational autoencoders (VAEs) or other types of latent space models, the dimensionality of the latent space is typically defined upfront. In this process, it is possible that the number of dimensions is under- or…

Machine Learning · Computer Science 2021-04-14 Cedric De Boom , Samuel Wauthier , Tim Verbelen , Bart Dhoedt

Bayesian optimization (BO) offers an elegant approach for efficiently optimizing black-box functions. However, acquisition criteria demand their own challenging inner-optimization, which can induce significant overhead. Many practical BO…

Machine Learning · Statistics 2024-12-09 Nathan Wycoff , John W. Smith , Annie S. Booth , Robert B. Gramacy

The vector quantization is a widely used method to map continuous representation to discrete space and has important application in tokenization for generative mode, bottlenecking information and many other tasks in machine learning. Vector…

Machine Learning · Computer Science 2024-10-15 Mingyuan Yan , Jiawei Wu , Rushi Shah , Dianbo Liu

The variational autoencoder (VAE) is a popular deep latent variable model used to analyse high-dimensional datasets by learning a low-dimensional latent representation of the data. It simultaneously learns a generative model and an…

Machine Learning · Computer Science 2023-11-21 Mine Öğretir , Siddharth Ramchandran , Dimitrios Papatheodorou , Harri Lähdesmäki

Bayesian optimization is a broadly applied methodology to optimize the expensive black-box function. Despite its success, it still faces the challenge from the high-dimensional search space. To alleviate this problem, we propose a novel…

Machine Learning · Computer Science 2020-10-20 Jingfan Chen , Guanghui Zhu , Chunfeng Yuan , Yihua Huang

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

Bayesian optimization (BO) is among the most effective and widely-used blackbox optimization methods. BO proposes solutions according to an explore-exploit trade-off criterion encoded in an acquisition function, many of which are computed…

Machine Learning · Computer Science 2021-02-19 Louis C. Tiao , Aaron Klein , Matthias Seeger , Edwin V. Bonilla , Cedric Archambeau , Fabio Ramos

Bayesian Optimization (BO) is an effective method for finding the global optimum of expensive black-box functions. However, it is well known that applying BO to high-dimensional optimization problems is challenging. To address this issue, a…

Machine Learning · Statistics 2024-02-06 Lam Ngo , Huong Ha , Jeffrey Chan , Vu Nguyen , Hongyu Zhang

In this tutorial, we explore Variational Autoencoders (VAEs), an essential framework for unsupervised learning, particularly suited for high-dimensional datasets such as neuroimaging. By integrating deep learning with Bayesian inference,…

Image and Video Processing · Electrical Eng. & Systems 2025-01-15 C. Vázquez-García , F. J. Martínez-Murcia , F. Segovia Román , Juan M. Górriz Sáez

Bayesian Optimization (BO) is a well-studied hyperparameter tuning technique that is more efficient than grid search for high-cost, high-parameter machine learning problems. Echocardiography is a ubiquitous modality for evaluating heart…

Image and Video Processing · Electrical Eng. & Systems 2022-11-21 Son-Tung Tran , Joshua V. Stough , Xiaoyan Zhang , Christopher M. Haggerty

Most of the data-driven approaches applied to bearing fault diagnosis up to date are established in the supervised learning paradigm, which usually requires a large set of labeled data collected a priori. In practical applications, however,…

Machine Learning · Computer Science 2019-12-10 Shen Zhang , Fei Ye , Bingnan Wang , Thomas G. Habetler
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