相关论文: QSAR-Guided Generative Framework for the Discovery…

Variational Autoencoders (VAE) are probabilistic deep generative models underpinned by elegant theory, stable training processes, and meaningful manifold representations. However, they produce blurry images due to a lack of explicit…

Predicting olfactory perception directly from molecular structure is central to fragrance design that plays a role in a wide range of industries, such as perfumery, food and beverage, and health care. Among olfactory attributes, odor…

Neural samplers such as variational autoencoders (VAEs) or generative adversarial networks (GANs) approximate distributions by transforming samples from a simple random source---the latent space---to samples from a more complex distribution…

Understanding and controlling latent representations in deep generative models is a challenging yet important problem for analyzing, transforming and generating various types of data. In speech processing, inspiring from the anatomical…

Deep generative models have achieved impressive success in recent years. Generative Adversarial Networks (GANs) and Variational Autoencoders (VAEs), as emerging families for generative model learning, have largely been considered as two…

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…

Variation Autoencoder (VAE) has become a powerful tool in modeling the non-linear generative process of data from a low-dimensional latent space. Recently, several studies have proposed to use VAE for unsupervised clustering by using…

The rising use of machine learning in various fields requires robust methods to create synthetic tabular data. Data should preserve key characteristics while addressing data scarcity challenges. Current approaches based on Generative…

Variational auto-encoders (VAEs) are a popular and powerful deep generative model. Previous works on VAEs have assumed a factorized likelihood model, whereby the output uncertainty of each pixel is assumed to be independent. This…

Deep latent variable models (LVM) such as variational auto-encoder (VAE) have recently played an important role in text generation. One key factor is the exploitation of smooth latent structures to guide the generation. However, the…

Designing new industrial materials with desired properties can be very expensive and time consuming. The main difficulty is to generate compounds that correspond to realistic materials. Indeed, the description of compounds as vectors of…

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…

We introduce a novel variational autoencoder (VAE) architecture that can generate realistic and diverse high energy physics events. The model we propose utilizes several techniques from VAE literature in order to simulate high fidelity jet…

There are many problems in physics, biology, and other natural sciences in which symbolic regression can provide valuable insights and discover new laws of nature. A widespread Deep Neural Networks do not provide interpretable solutions.…

We propose a topic-guided variational autoencoder (TGVAE) model for text generation. Distinct from existing variational autoencoder (VAE) based approaches, which assume a simple Gaussian prior for the latent code, our model specifies the…

The de novo generation of drug-like molecules capable of inducing desirable phenotypic changes is receiving increasing attention. However, previous methods predominantly rely on expression profiles to guide molecule generation, but overlook…

Embodied trajectories, such as the executable motion sequences of robotic manipulators, underwater vehicles, and mobile robots, are a fundamental output of embodied AI. Modern generative models often treat them as a dense, monolithic signal…

Variational autoencoders (VAEs) are a popular class of deep generative models with many variants and a wide range of applications. Improvements upon the standard VAE mostly focus on the modelling of the posterior distribution over the…

While most frontier models still use deterministic frequency-based tokenization algorithms such as byte-pair encoding (BPE), there has been significant recent work to design learned neural tokenizers. However, these schemes generally add to…

By composing graphical models with deep learning architectures, we learn generative models with the strengths of both frameworks. The structured variational autoencoder (SVAE) inherits structure and interpretability from graphical models,…