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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

The variational auto-encoder (VAE) is a deep latent variable model that has two neural networks in an autoencoder-like architecture; one of them parameterizes the model's likelihood. Fitting its parameters via maximum likelihood (ML) is…

Machine Learning · Computer Science 2021-06-03 Francisco J. R. Ruiz , Michalis K. Titsias , Taylan Cemgil , Arnaud Doucet

In many real-world scenarios, decision makers seek to efficiently optimize multiple competing objectives in a sample-efficient fashion. Multi-objective Bayesian optimization (BO) is a common approach, but many of the best-performing…

Machine Learning · Statistics 2020-11-12 Samuel Daulton , Maximilian Balandat , Eytan Bakshy

This paper presents an infinite variational autoencoder (VAE) whose capacity adapts to suit the input data. This is achieved using a mixture model where the mixing coefficients are modeled by a Dirichlet process, allowing us to integrate…

Machine Learning · Computer Science 2016-11-28 Ehsan Abbasnejad , Anthony Dick , Anton van den Hengel

Conformational sampling of biomolecules using molecular dynamics simulations often produces large amount of high dimensional data that makes it difficult to interpret using conventional analysis techniques. Dimensionality reduction methods…

Biomolecules · Quantitative Biology 2021-12-08 Mahdi Ghorbani , Samarjeet Prasad , Jeffery B. Klauda , Bernard R. Brooks

This paper proposes a new source model and training scheme to improve the accuracy and speed of the multichannel variational autoencoder (MVAE) method. The MVAE method is a recently proposed powerful multichannel source separation method.…

Sound · Computer Science 2022-09-08 Li Li , Hirokazu Kameoka , Shoji Makino

Mean-field variational inference (MFVI) has been widely applied in large scale Bayesian inference. However MFVI, which assumes a product distribution on the latent variables, often leads to objective functions with many local optima, making…

Statistics Theory · Mathematics 2020-03-03 Mingzhang Yin , Y. X. Rachel Wang , Purnamrita Sarkar

We consider the task of estimating variational autoencoders (VAEs) when the training data is incomplete. We show that missing data increases the complexity of the model's posterior distribution over the latent variables compared to the…

Machine Learning · Computer Science 2024-06-28 Vaidotas Simkus , Michael U. Gutmann

Black box variational inference (BBVI) with reparameterization gradients triggered the exploration of divergence measures other than the Kullback-Leibler (KL) divergence, such as alpha divergences. In this paper, we view BBVI with…

Machine Learning · Statistics 2018-01-09 Robert Bamler , Cheng Zhang , Manfred Opper , Stephan Mandt

We prove that black-box variational inference (BBVI) with control variates, particularly the sticking-the-landing (STL) estimator, converges at a geometric (traditionally called "linear") rate under perfect variational family specification.…

Machine Learning · Statistics 2025-11-14 Kyurae Kim , Yian Ma , Jacob R. Gardner

As in many fields of medical research, survival analysis has witnessed a growing interest in the application of deep learning techniques to model complex, high-dimensional, heterogeneous, incomplete, and censored medical data. Current…

Machine Learning · Computer Science 2023-12-25 Patricia A. Apellániz , Juan Parras , Santiago Zazo

Test-time adaptation (TTA) has been widely explored to prevent performance degradation when test data differ from the training distribution. However, fully leveraging the rich representations of large pretrained models with minimal…

Computer Vision and Pattern Recognition · Computer Science 2026-04-15 Sunghyun Baek , Jaemyung Yu , Seunghee Koh , Minsu Kim , Hyeonseong Jeon , Junmo Kim

We consider a variational autoencoder (VAE) for binary data. Our main innovations are an interpretable lower bound for its training objective, a modified initialization and architecture of such a VAE that leads to faster training, and a…

Machine Learning · Computer Science 2020-03-27 Robert Sicks , Ralf Korn , Stefanie Schwaar

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…

Software systems exhibit distinct behaviors based on input characteristics, and failures often occur at the boundaries between input domains. Traditional Boundary Value Analysis (BVA) relies on manual heuristics, while automated Boundary…

Software Engineering · Computer Science 2025-05-27 Sabinakhon Akbarova , Felix Dobslaw , Francisco Gomes de Oliveira Neto , Robert Feldt

Instruction finetuning on a variety of image-text instruction data is the key to obtaining a versatile Multimodal Large Language Model (MLLM), and different configurations of the instruction data can lead to finetuned models with different…

Computer Vision and Pattern Recognition · Computer Science 2024-01-31 Shaoxiang Chen , Zequn Jie , Lin Ma

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

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

We prove that the evidence lower bound (ELBO) employed by variational auto-encoders (VAEs) admits non-trivial solutions having constant posterior variances under certain mild conditions, removing the need to learn variances in the encoder.…

Machine Learning · Computer Science 2021-05-27 Graham Fyffe

With the introduction of the variational autoencoder (VAE), probabilistic latent variable models have received renewed attention as powerful generative models. However, their performance in terms of test likelihood and quality of generated…

Machine Learning · Statistics 2020-01-13 Lars Maaløe , Marco Fraccaro , Valentin Liévin , Ole Winther