相关论文: Generating 3D Molecular Structures Conditional on …

We present a structured graph variational autoencoder for generating the layout of indoor 3D scenes. Given the room type (e.g., living room or library) and the room layout (e.g., room elements such as floor and walls), our architecture…

Prediction of a molecule's 3D conformer ensemble from the molecular graph holds a key role in areas of cheminformatics and drug discovery. Existing generative models have several drawbacks including lack of modeling important molecular…

The design of molecules and materials with tailored properties is challenging, as candidate molecules must satisfy multiple competing requirements that are often difficult to measure or compute. While molecular structures, produced through…

In the real world, a molecule is a 3D geometric structure. Compared to 1D SMILES sequences and 2D molecular graphs, 3D molecules represent the most informative molecular modality. Despite the rapid progress of autoregressive-based language…

Recent advances in Structure-based Drug Design (SBDD) have leveraged generative models for 3D molecular generation, predominantly evaluating model performance by binding affinity to target proteins. However, practical drug discovery…

We propose a new representation for encoding 3D shapes as neural fields. The representation is designed to be compatible with the transformer architecture and to benefit both shape reconstruction and shape generation. Existing works on…

Generative models can be used to synthesize 3D objects of high quality and diversity. However, there is typically no control over the properties of the generated object.This paper proposes a novel generative adversarial network (GAN) setup…

In this paper, we introduce a novel conditional generative adversarial network that creates dense 3D point clouds, with color, for assorted classes of objects in an unsupervised manner. To overcome the difficulty of capturing intricate…

Deep generative models have significantly advanced medical imaging analysis by enhancing dataset size and quality. Beyond mere data augmentation, our research in this paper highlights an additional, significant capacity of deep generative…

We study the problem of 3D object generation. We propose a novel framework, namely 3D Generative Adversarial Network (3D-GAN), which generates 3D objects from a probabilistic space by leveraging recent advances in volumetric convolutional…

Generative models aim to learn the distribution of observed data by generating new instances. With the advent of neural networks, deep generative models, including variational autoencoders (VAEs), generative adversarial networks (GANs), and…

We present a new method for multimodal conditional 3D face geometry generation that allows user-friendly control over the output identity and expression via a number of different conditioning signals. Within a single model, we demonstrate…

Deep generative models of 3D shapes have received a great deal of research interest. Yet, almost all of them generate discrete shape representations, such as voxels, point clouds, and polygon meshes. We present the first 3D generative model…

Generative models using neural network have opened a door to large-scale studies for various application domains, especially for studies that suffer from lack of real samples to obtain statistically robust inference. Typically, these…

Using a large-scale, experimentally captured 3D microstructure dataset, we implement the generative adversarial network (GAN) framework to learn and generate 3D microstructures of solid oxide fuel cell electrodes. The generated…

Deep generative neural networks have proven effective at both conditional and unconditional modeling of complex data distributions. Conditional generation enables interactive control, but creating new controls often requires expensive…

Our work is concerned with the generation and targeted design of RNA, a type of genetic macromolecule that can adopt complex structures which influence their cellular activities and functions. The design of large scale and complex…

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…

Existing generative models for 3D shapes are typically trained on a large 3D dataset, often of a specific object category. In this paper, we investigate the deep generative model that learns from only a single reference 3D shape.…

Self-supervised neural language models have recently found wide applications in generative design of organic molecules and protein sequences as well as representation learning for downstream structure classification and functional…