Related papers: Re-balancing Variational Autoencoder Loss for Mole…
The variational autoencoder (VAE) framework is a popular option for training unsupervised generative models, featuring ease of training and latent representation of data. The objective function of VAE does not guarantee to achieve the…
Deep learning has significantly advanced and accelerated de novo molecular generation. Generative networks, namely Variational Autoencoders (VAEs) can not only randomly generate new molecules, but also alter molecular structures to optimize…
Many contemporary generative models of molecules are variational auto-encoders of molecular graphs. One term in their training loss pertains to reconstructing the input, yet reconstruction capabilities of state-of-the-art models have not…
In this paper, we investigate the problem of string-based molecular generation via variational autoencoders (VAEs) that have served a popular generative approach for various tasks in artificial intelligence. We propose a simple, yet…
We introduce the Kernel-Elastic Autoencoder (KAE), a self-supervised generative model based on the transformer architecture with enhanced performance for molecular design. KAE is formulated based on two novel loss functions: modified…
The Variational Autoencoder (VAE) is a popular and powerful model applied to text modelling to generate diverse sentences. However, an issue known as posterior collapse (or KL loss vanishing) happens when the VAE is used in text modelling,…
Variational autoencoders (VAEs) are a standard framework for inducing latent variable models that have been shown effective in learning text representations as well as in text generation. The key challenge with using VAEs is the {\it…
Variational autoencoders (VAEs) typically encode images into a compact latent space, reducing computational cost but introducing an optimization dilemma: a higher-dimensional latent space improves reconstruction fidelity but often hampers…
We consider the problem of learning Variational Autoencoders (VAEs), i.e., a type of deep generative model, from data with missing values. Such data is omnipresent in real-world applications of machine learning because complete data is…
Variational Autoencoder (VAE) is a powerful method for learning representations of high-dimensional data. However, VAEs can suffer from an issue known as latent variable collapse (or KL loss vanishing), where the posterior collapses to the…
Variational autoencoders (VAEs) hold great potential for modelling text, as they could in theory separate high-level semantic and syntactic properties from local regularities of natural language. Practically, however, VAEs with…
Variational autoencoders (VAEs) are powerful generative modelling methods, however they suffer from blurry generated samples and reconstructions compared to the images they have been trained on. Significant research effort has been spent to…
Variational autoencoders (VAEs) are one of the powerful likelihood-based generative models with applications in many domains. However, they struggle to generate high-quality images, especially when samples are obtained from the prior…
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…
The Variational Autoencoder (VAE) is a powerful framework for learning probabilistic latent variable generative models. However, typical assumptions on the approximate posterior distribution of the encoder and/or the prior, seriously…
Variational autoencoders (VAEs) defined over SMILES string and graph-based representations of molecules promise to improve the optimization of molecular properties, thereby revolutionizing the pharmaceuticals and materials industries.…
Variational Autoencoder (VAE), a simple and effective deep generative model, has led to a number of impressive empirical successes and spawned many advanced variants and theoretical investigations. However, recent studies demonstrate that,…
Continuous speech representations based on Variational Autoencoders (VAEs) have emerged as a promising alternative to traditional spectrogram or discrete token based features for speech generation and reconstruction. Recent research has…
Recent proposals for quantum generative adversarial networks (GANs) suffer from the issue of mode collapse, analogous to classical GANs, wherein the distribution learnt by the GAN fails to capture the high mode complexities of the target…
Variational Autoencoder (VAE) is widely used as a generative model to approximate a model's posterior on latent variables by combining the amortized variational inference and deep neural networks. However, when paired with strong…