Generating molecular structures with desired properties is a critical task with broad applications in drug discovery and materials design. We propose 3M-Diffusion, a novel multi-modal molecular graph generation method, to generate diverse, ideally novel molecular structures with desired properties. 3M-Diffusion encodes molecular graphs into a graph latent space which it then aligns with the text space learned by encoder-based LLMs from textual descriptions. It then reconstructs the molecular structure and atomic attributes based on the given text descriptions using the molecule decoder. It then learns a probabilistic mapping from the text space to the latent molecular graph space using a diffusion model. The results of our extensive experiments on several datasets demonstrate that 3M-Diffusion can generate high-quality, novel and diverse molecular graphs that semantically match the textual description provided.
This paper introduces an innovative methodology for producing high-quality 3D lung CT images guided by textual information. While diffusion-based generative models are increasingly used in medical imaging, current state-of-the-art approaches are limited to low-resolution outputs and underutilize radiology reports' abundant information. The radiology reports can enhance the generation process by providing additional guidance and offering fine-grained control over the synthesis of images. Nevertheless, expanding text-guided generation to high-resolution 3D images poses significant memory and anatomical detail-preserving challenges. Addressing the memory issue, we introduce a hierarchical scheme that uses a modified UNet architecture. We start by synthesizing low-resolution images conditioned on the text, serving as a foundation for subsequent generators for complete volumetric data. To ensure the anatomical plausibility of the generated samples, we provide further guidance by generating vascular, airway, and lobular segmentation masks in conjunction with the CT images. The model demonstrates the capability to use textual input and segmentation tasks to generate synthesized images. The results of comparative assessments indicate that our approach exhibits superior performance compared to the most advanced models based on GAN and diffusion techniques, especially in accurately retaining crucial anatomical features such as fissure lines, airways, and vascular structures. This innovation introduces novel possibilities. This study focuses on two main objectives: (1) the development of a method for creating images based on textual prompts and anatomical components, and (2) the capability to generate new images conditioning on anatomical elements. The advancements in image generation can be applied to enhance numerous downstream tasks.
Pictorial visualization seamlessly integrates data and semantic context into visual representation, conveying complex information in a manner that is both engaging and informative. Extensive studies have been devoted to developing authoring tools to simplify the creation of pictorial visualizations. However, mainstream works mostly follow a retrieving-and-editing pipeline that heavily relies on retrieved visual elements from a dedicated corpus, which often compromise the data integrity. Text-guided generation methods are emerging, but may have limited applicability due to its predefined recognized entities. In this work, we propose ChartSpark, a novel system that embeds semantic context into chart based on text-to-image generative model. ChartSpark generates pictorial visualizations conditioned on both semantic context conveyed in textual inputs and data information embedded in plain charts. The method is generic for both foreground and background pictorial generation, satisfying the design practices identified from an empirical research into existing pictorial visualizations. We further develop an interactive visual interface that integrates a text analyzer, editing module, and evaluation module to enable users to generate, modify, and assess pictorial visualizations. We experimentally demonstrate the usability of our tool, and conclude with a discussion of the potential of using text-to-image generative model combined with interactive interface for visualization design.
In this paper, we present TEXTure, a novel method for text-guided generation, editing, and transfer of textures for 3D shapes. Leveraging a pretrained depth-to-image diffusion model, TEXTure applies an iterative scheme that paints a 3D model from different viewpoints. Yet, while depth-to-image models can create plausible textures from a single viewpoint, the stochastic nature of the generation process can cause many inconsistencies when texturing an entire 3D object. To tackle these problems, we dynamically define a trimap partitioning of the rendered image into three progression states, and present a novel elaborated diffusion sampling process that uses this trimap representation to generate seamless textures from different views. We then show that one can transfer the generated texture maps to new 3D geometries without requiring explicit surface-to-surface mapping, as well as extract semantic textures from a set of images without requiring any explicit reconstruction. Finally, we show that TEXTure can be used to not only generate new textures but also edit and refine existing textures using either a text prompt or user-provided scribbles. We demonstrate that our TEXTuring method excels at generating, transferring, and editing textures through extensive evaluation, and further close the gap between 2D image generation and 3D texturing.
Denoising diffusion models (DDMs) have led to staggering performance leaps in image generation, editing and restoration. However, existing DDMs use very large datasets for training. Here, we introduce a framework for training a DDM on a single image. Our method, which we coin SinDDM, learns the internal statistics of the training image by using a multi-scale diffusion process. To drive the reverse diffusion process, we use a fully-convolutional light-weight denoiser, which is conditioned on both the noise level and the scale. This architecture allows generating samples of arbitrary dimensions, in a coarse-to-fine manner. As we illustrate, SinDDM generates diverse high-quality samples, and is applicable in a wide array of tasks, including style transfer and harmonization. Furthermore, it can be easily guided by external supervision. Particularly, we demonstrate text-guided generation from a single image using a pre-trained CLIP model.