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Bayesian Optimization (BO) is a class of black-box, surrogate-based heuristics that can efficiently optimize problems that are expensive to evaluate, and hence admit only small evaluation budgets. BO is particularly popular for solving…

Machine Learning · Computer Science 2024-06-25 Maria Laura Santoni , Elena Raponi , Renato De Leone , Carola Doerr

Learning rich data representations from unlabeled data is a key challenge towards applying deep learning algorithms in downstream tasks. Several variants of variational autoencoders (VAEs) have been proposed to learn compact data…

Computer Vision and Pattern Recognition · Computer Science 2024-01-11 Pan Xiao , Peijie Qiu , Sungmin Ha , Abdalla Bani , Shuang Zhou , Aristeidis Sotiras

Visualization and topic modeling are widely used approaches for text analysis. Traditional visualization methods find low-dimensional representations of documents in the visualization space (typically 2D or 3D) that can be displayed using a…

Computation and Language · Computer Science 2020-10-27 Dang Pham , Tuan M. V. Le

This paper introduces a modified variational autoencoder (VAEs) that contains an additional neural network branch. The resulting branched VAE (BVAE) contributes a classification component based on the class labels to the total loss and…

Machine Learning · Computer Science 2024-01-08 Ahmed Salah , David Yevick

Variational autoencoders (VAEs) are a popular framework for modeling complex data distributions; they can be efficiently trained via variational inference by maximizing the evidence lower bound (ELBO), at the expense of a gap to the exact…

Variational Auto-encoders (VAEs) have been very successful as methods for forming compressed latent representations of complex, often high-dimensional, data. In this paper, we derive an alternative variational lower bound from the one…

Machine Learning · Computer Science 2019-03-20 Shuyu Lin , Ronald Clark , Robert Birke , Niki Trigoni , Stephen Roberts

We propose DoE2Vec, a variational autoencoder (VAE)-based methodology to learn optimization landscape characteristics for downstream meta-learning tasks, e.g., automated selection of optimization algorithms. Principally, using large…

Optimization and Control · Mathematics 2023-04-05 Bas van Stein , Fu Xing Long , Moritz Frenzel , Peter Krause , Markus Gitterle , Thomas Bäck

The optimization of expensive to evaluate, black-box, mixed-variable functions, i.e. functions that have continuous and discrete inputs, is a difficult and yet pervasive problem in science and engineering. In Bayesian optimization (BO),…

Machine Learning · Computer Science 2020-08-05 Erik Daxberger , Anastasia Makarova , Matteo Turchetta , Andreas Krause

Existing Meta-Black-Box Optimization (MetaBBO) methods focus on how to search when controlling optimizers, but largely overlook where to search. We propose MetaSG-SAEA, a bi-level MetaBBO framework for expensive constrained multi-objective…

Neural and Evolutionary Computing · Computer Science 2026-05-12 Yukun Du , Haiyue Yu , Jiang Jiang , Shuaiwen Tang , Xiaotong Xie , Haobo Liu , Chongshuang Hu , Shengkun Chang

Variational Autoencoders (VAEs) have been shown to be remarkably effective in recovering model latent spaces for several computer vision tasks. However, currently trained VAEs, for a number of reasons, seem to fall short in learning…

Machine Learning · Computer Science 2021-07-27 Chandrajit Bajaj , Avik Roy , Haoran Zhang

When it comes to expensive black-box optimization problems, Bayesian Optimization (BO) is a well-known and powerful solution. Many real-world applications involve a large number of dimensions, hence scaling BO to high dimension is of much…

Machine Learning · Statistics 2024-12-18 Lam Ngo , Huong Ha , Jeffrey Chan , Hongyu Zhang

Molecular property optimization (MPO) problems are inherently challenging since they are formulated over discrete, unstructured spaces and the labeling process involves expensive simulations or experiments, which fundamentally limits the…

Biomolecules · Quantitative Biology 2024-01-04 Farshud Sorourifar , Thomas Banker , Joel A. Paulson

The framework of variational autoencoders (VAEs) provides a principled method for jointly learning latent-variable models and corresponding inference models. However, the main drawback of this approach is the blurriness of the generated…

Machine Learning · Computer Science 2020-07-01 Ioannis Gatopoulos , Maarten Stol , Jakub M. Tomczak

Black-box optimization problems often require simultaneously optimizing different types of variables, such as continuous, integer, and categorical variables. Unlike integer variables, categorical variables do not necessarily have a…

Neural and Evolutionary Computing · Computer Science 2025-05-22 Ryoki Hamano , Shota Saito , Masahiro Nomura , Kento Uchida , Shinichi Shirakawa

Dynamic Optimization Problems (DOPs) are challenging to address due to their complex nature, i.e., dynamic environment variation. Evolutionary Computation methods are generally advantaged in solving DOPs since they resemble dynamic…

Neural and Evolutionary Computing · Computer Science 2026-02-02 Zijian Gao , Yuanting Zhong , Zeyuan Ma , Yue-Jiao Gong , Hongshu Guo

Bayesian optimization (BO) is a widely used algorithm for solving expensive black-box optimization problems. However, its performance decreases significantly on high-dimensional problems due to the inherent high-dimensionality of the…

Machine Learning · Computer Science 2025-04-16 Jundi Huang , Dawei Zhan

Combinatorial black-box optimization in high-dimensional settings demands a careful trade-off between exploiting promising regions of the search space and preserving sufficient exploration to identify multiple optima. Although…

Artificial Intelligence · Computer Science 2026-04-20 Thomas Landais , Olivier Goudet , Adrien Goëffon , Frédéric Saubion , Sylvain Lamprier

Variational Autoencoder is a scalable method for learning latent variable models of complex data. It employs a clear objective that can be easily optimized. However, it does not explicitly measure the quality of learned representations. We…

Machine Learning · Computer Science 2020-05-29 Andriy Serdega , Dae-Shik Kim

Due to the intractable partition function, training energy-based models (EBMs) by maximum likelihood requires Markov chain Monte Carlo (MCMC) sampling to approximate the gradient of the Kullback-Leibler divergence between data and model…

Machine Learning · Statistics 2021-12-28 Jianwen Xie , Zilong Zheng , Ping Li

In this paper, we explore the use of a variational autoencoder (VAE), a deep generative model, to compress and generate images of dark matter density fields from $\Lambda$CDM like cosmological simulations. The VAE learns a compact,…

Cosmology and Nongalactic Astrophysics · Physics 2025-07-25 Jazhiel Chacón-Lavanderos , Isidro Gómez-Vargas , Ricardo Menchaca-Mendez , J. Alberto Vázquez
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