相关论文: GeoDiff: a Geometric Diffusion Model for Molecular…

Conventional galaxy generation methods rely on semi-analytical models and hydrodynamic simulations, which are highly dependent on physical assumptions and parameter tuning. In contrast, data-driven generative models do not have explicit…

Achieving precise control over a molecule's biological activity-encompassing targeted activation/inhibition, cooperative multi-target modulation, and off-target toxicity mitigation-remains a critical challenge in de novo drug design.…

Unrestricted adversarial attacks present a serious threat to deep learning models and adversarial defense techniques. They pose severe security problems for deep learning applications because they can effectively bypass defense mechanisms.…

Synthetic Aperture Radar (SAR) imaging results are highly sensitive to observation geometries and the geometric parameters of targets. However, existing generative methods primarily operate within the image domain, neglecting explicit…

In this work, we propose a novel framework to enable diffusion models to adapt their generation quality based on real-time network bandwidth constraints. Traditional diffusion models produce high-fidelity images by performing a fixed number…

Denoising diffusion models have become ubiquitous for generative modeling. The core idea is to transport the data distribution to a Gaussian by using a diffusion. Approximate samples from the data distribution are then obtained by…

Document dewarping aims to rectify deformations in photographic document images, thus improving text readability, which has attracted much attention and made great progress, but it is still challenging to preserve document structures. Given…

Solving medical imaging data scarcity through semantic image generation has attracted growing attention in recent years. However, existing generative models mainly focus on synthesizing whole-organ or large-tissue structures, showing…

Diffusion models have emerged as powerful generative frameworks by progressively adding noise to data through a forward process and then reversing this process to generate realistic samples. While these models have achieved strong…

Diffusion-based generative models are extremely effective in generating high-quality images, with generated samples often surpassing the quality of those produced by other models under several metrics. One distinguishing feature of these…

Diffusion models have established themselves as state-of-the-art generative models across various data modalities, including images and videos, due to their ability to accurately approximate complex data distributions. Unlike traditional…

Generating ligand molecules for specific protein targets, known as structure-based drug design, is a fundamental problem in therapeutics development and biological discovery. Recently, target-aware generative models, especially diffusion…

Although neural networks achieve promising performance in many tasks, they may still fail when encountering some examples and bring about risks to applications. To discover risky samples, previous literature attempts to search for patterns…

We introduce a generative modeling framework for thermodynamic computing, in which structured data is synthesized from noise by the natural time evolution of a physical system governed by Langevin dynamics. While conventional diffusion…

Generating graph-structured data requires learning the underlying distribution of graphs. Yet, this is a challenging problem, and the previous graph generative methods either fail to capture the permutation-invariance property of graphs or…

We present a novel way to predict molecular conformers through a simple formulation that sidesteps many of the heuristics of prior works and achieves state of the art results by using the advantages of scale. By training a diffusion…

Generative models capture the true distribution of data, yielding semantically rich representations. Denoising diffusion models (DDMs) exhibit superior generative capabilities, though efficient representation learning for them are lacking.…

Molecular generation with diffusion models has emerged as a promising direction for AI-driven drug discovery and materials science. While graph diffusion models have been widely adopted due to the discrete nature of 2D molecular graphs,…

Diffusion models, as a novel generative paradigm, have achieved remarkable success in various image generation tasks such as image inpainting, image-to-text translation, and video generation. Graph generation is a crucial computational task…

Recently, diffusion-based recommendation methods have achieved impressive results. However, existing approaches predominantly treat each user's historical interactions as independent training samples, overlooking the potential of…