相关论文: Sample-Efficient Generation of Novel Photo-acid Ge…

Conditioning image generation on specific features of the desired output is a key ingredient of modern generative models. However, existing approaches lack a general and unified way of representing structural and semantic conditioning at…

A major challenge in computational chemistry is the generation of novel molecular structures with desirable pharmacological and physiochemical properties. In this work, we investigate the potential use of autoencoder, a deep learning…

The interest of the deep learning community in image synthesis has grown massively in recent years. Nowadays, deep generative methods, and especially Generative Adversarial Networks (GANs), are leading to state-of-the-art performance,…

In recent years, deep generative models for graphs have been used to generate new molecules. These models have produced good results, leading to several proposals in the literature. However, these models may have troubles learning some of…

The integration of artificial intelligence (AI) in early-stage drug discovery offers unprecedented opportunities for exploring chemical space and accelerating hit-to-lead optimization. However, docking optimization in generative approaches…

Unconditional generation -- the problem of modeling data distribution without relying on human-annotated labels -- is a long-standing and fundamental challenge in generative models, creating a potential of learning from large-scale…

Deep generative models have been praised for their ability to learn smooth latent representation of images, text, and audio, which can then be used to generate new, plausible data. However, current generative models are unable to work with…

Designing RNA molecules that interact with specific proteins is a critical challenge in experimental and computational biology. Existing computational approaches require a substantial amount of previously known interacting RNA sequences for…

Semantic image synthesis, i.e., generating images from user-provided semantic label maps, is an important conditional image generation task as it allows to control both the content as well as the spatial layout of generated images. Although…

Automatic analysis of spatio-temporal microscopy images is inevitable for state-of-the-art research in the life sciences. Recent developments in deep learning provide powerful tools for automatic analyses of such image data, but heavily…

Conditional domain generation is a good way to interactively control sample generation process of deep generative models. However, once a conditional generative model has been created, it is often expensive to allow it to adapt to new…

In this paper, we propose a novel approach to generate images (or other artworks) by using neural cellular automatas (NCAs). Rather than training NCAs based on single images one by one, we combined the idea with variational autoencoders…

Generative models are successfully used for image synthesis in the recent years. But when it comes to other modalities like audio, text etc little progress has been made. Recent works focus on generating audio from a generative model in an…

Optimizing chemical properties is a challenging task due to the vastness and complexity of chemical space. Here, we present a generative energy-based architecture for implicit chemical property optimization, designed to efficiently generate…

Histopathology image classification is crucial for the accurate identification and diagnosis of various diseases but requires large and diverse datasets. Obtaining such datasets, however, is often costly and time-consuming due to the need…

Recently, the growing capabilities of deep generative models have underscored their potential in enhancing image classification accuracy. However, existing methods often demand the generation of a disproportionately large number of images…

We introduce a novel method for conditioning diffusion-based image synthesis models with heterogeneous graph data. Existing approaches typically incorporate conditioning variables directly into model architectures, either through…

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…

Modern generative models achieve excellent quality in a variety of tasks including image or text generation and chemical molecule modeling. However, existing methods often lack the essential ability to generate examples with requested…

Molecular generation plays an important role in drug discovery and materials science, especially in data-scarce scenarios where traditional generative models often struggle to achieve satisfactory conditional generalization. To address this…