Related papers: Re-balancing Variational Autoencoder Loss for Mole…

Automatic molecule generation plays an important role on drug discovery and has received a great deal of attention in recent years thanks to deep learning successful use. Graph-based neural network represents state of the art methods on…

In recent years, deep generative models have been successfully adopted for various molecular design tasks, particularly in the life and material sciences. A critical challenge for pre-trained generative molecular design (GMD) models is to…

Sequence-to-sequence (Seq2seq) models have played an important role in the recent success of various natural language processing methods, such as machine translation, text summarization, and speech recognition. However, current Seq2seq…

Variational Autoencoders (VAEs) have experienced recent success as data-generating models by using simple architectures that do not require significant fine-tuning of hyperparameters. However, VAEs are known to suffer from…

Molecule generation is a task made very difficult by the complex ways in which we represent molecules computationally. A common technique used in molecular generative modeling is to use SMILES strings with recurrent neural networks built…

A specific challenge with deep learning approaches for molecule generation is generating both syntactically valid and chemically plausible molecular string representations. To address this, we propose a novel generative latent-variable…

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…

Variational Autoencoders (VAEs) typically rely on a probabilistic decoder with a predefined likelihood, most commonly an isotropic Gaussian, to model the data conditional on latent variables. While convenient for optimization, this choice…

The variational autoencoder (VAE) is a popular combination of deep latent variable model and accompanying variational learning technique. By using a neural inference network to approximate the model's posterior on latent variables, VAEs…

Variational auto-encoder (VAE) is a powerful unsupervised learning framework for image generation. One drawback of VAE is that it generates blurry images due to its Gaussianity assumption and thus L2 loss. To allow the generation of high…

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…

Variational autoencoders (VAEs) have received much attention recently as an end-to-end architecture for text generation with latent variables. In this paper, we investigate several multi-level structures to learn a VAE model to generate…

Building a scalable machine learning system for unsupervised anomaly detection via representation learning is highly desirable. One of the prevalent methods is using a reconstruction error from variational autoencoder (VAE) via maximizing…

Variational Autoencoders (VAE) and their variants have been widely used in a variety of applications, such as dialog generation, image generation and disentangled representation learning. However, the existing VAE models have some…

Variational Autoencoders (VAEs) are powerful generative models capable of learning compact latent representations. However, conventional VAEs often generate relatively blurry images due to their assumption of an isotropic Gaussian latent…

Variational autoencoders (VAEs), as an important aspect of generative models, have received a lot of research interests and reached many successful applications. However, it is always a challenge to achieve the consistency between the…

Despite their ubiquity, variational autoencoders (VAEs) inherently suffer from posterior collapse, a failure mode in which latent variables are effectively ignored. This failure arises because explicit prior imposition drives optimization…

Variational autoencoders (VAEs) frequently suffer from posterior collapse, where the latent variables become uninformative as the approximate posterior degenerates to the prior. While recent work has characterized collapse as a phase…

As one of the most popular generative models, Variational Autoencoder (VAE) approximates the posterior of latent variables based on amortized variational inference. However, when the decoder network is sufficiently expressive, VAE may lead…

Recently, molecule generation using deep learning has been actively investigated in drug discovery. In this field, Transformer and VAE are widely used as powerful models, but they are rarely used in combination due to structural and…