Related papers: Kernel-Elastic Autoencoder for Molecular Design

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…

The generative learning phase of Autoencoder (AE) and its successor Denosing Autoencoder (DAE) enhances the flexibility of data stream method in exploiting unlabelled samples. Nonetheless, the feasibility of DAE for data stream analytic…

Autoencoders are a class of artificial neural networks which have gained a lot of attention in the recent past. Using the encoder block of an autoencoder the input image can be compressed into a meaningful representation. Then a decoder is…

Low-dose computed tomography (LDCT) reduces the X-ray radiation but compromises image quality with more noises and artifacts. A plethora of transformer models have been developed recently to improve LDCT image quality. However, the success…

Recent advances in artificial intelligence have propelled the development of innovative computational materials modeling and design techniques. Generative deep learning models have been used for molecular representation, discovery, and…

Automated feature engineering (AFE) enables AI systems to autonomously construct high-utility representations from raw tabular data. However, existing AFE methods rely on statistical heuristics, yielding brittle features that fail under…

Self-supervised learning has attracted increasing attention as it learns data-driven representation from data without annotations. Vision transformer-based autoencoder (ViT-AE) by He et al. (2021) is a recent self-supervised learning…

We investigate a novel approach to time-series modeling, inspired by the successes of large pretrained foundation models. We introduce FAE (Foundation Auto-Encoders), a foundation generative-AI model for anomaly detection in time-series…

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…

While unsupervised variational autoencoders (VAE) have become a powerful tool in neuroimage analysis, their application to supervised learning is under-explored. We aim to close this gap by proposing a unified probabilistic model for…

Variational autoencoders (VAEs) are essential tools in end-to-end representation learning. However, the sequential text generation common pitfall with VAEs is that the model tends to ignore latent variables with a strong auto-regressive…

We construct a physically-parameterized probabilistic autoencoder (PAE) to learn the intrinsic diversity of type Ia supernovae (SNe Ia) from a sparse set of spectral time series. The PAE is a two-stage generative model, composed of an…

Discrete latent bottlenecks in variational autoencoders (VAEs) offer high bit efficiency and can be modeled with autoregressive discrete distributions, enabling parameter-efficient multimodal search with transformers. However, discrete…

Variational autoencoders (VAEs) are powerful tools for learning latent representations of data used in a wide range of applications. In practice, VAEs usually require multiple training rounds to choose the amount of information the latent…

The Masked Autoencoder (MAE) has recently demonstrated effectiveness in pre-training Vision Transformers (ViT) for analyzing natural images. By reconstructing complete images from partially masked inputs, the ViT encoder gathers contextual…

Many of the existing machine learning algorithms, both supervised and unsupervised, depend on the quality of the input characteristics to generate a good model. The amount of these variables is also important, since performance tends to…

Electron, optical, and scanning probe microscopy methods are generating ever increasing volume of image data containing information on atomic and mesoscale structures and functionalities. This necessitates the development of the machine…

Model-agnostic anomaly detection is one of the promising approaches in the search for new beyond the standard model physics. In this paper, we present Set-VAE, a particle-based variational autoencoder (VAE) anomaly detection algorithm. We…

Generating novel drug molecules with desired biological properties is a time consuming and complex task. Conditional generative adversarial models have recently been proposed as promising approaches for de novo drug design. In this paper,…

In this paper, we bridge Variational Autoencoders (VAEs) and kernel density estimations (KDEs) by approximating the posterior by KDEs and deriving an upper bound of the Kullback-Leibler (KL) divergence in the evidence lower bound (ELBO).…