为分子图生成模型设计了无损水印技术,保护知识产权。
GUISE: Graph GaUssIan Shading watErmark
- 将高斯着色水印适配到分子图扩散模型中,通过复制填充简化流程。
- 水印分子在10项指标中9项与原图统计一致,检测率和提取率均超99%。
- 适合用于保护生成式分子设计成果,抵御编辑攻击。
在生成式人工智能快速发展的背景下,集成强健的水印技术对保护知识产权和维护内容真实性至关重要。传统水印方法主要针对图像、音频等富信息媒体,但尚未有效适配基于图的数据,尤其是分子图。潜空间3D图扩散(LDM-3DG)是分子图生成领域的前沿方法,能有效处理分子结构复杂性,保留关键对称性和拓扑特征。本文将已被验证的无损水印技术——高斯着色,适配至潜空间图扩散领域,以保护该先进技术。通过复制与填充简化水印扩散过程,使其适用于多种消息类型。我们在公开数据集QM9和Drugs上对LDM-3DG模型进行实验,结果表明,水印分子在10项性能指标中有9项与原始样本保持统计一致性;在2D解码管道中,检测率达到100%,提取率达99%,且对后期编辑攻击具有鲁棒性。
原文摘要 · Abstract (English)
In the expanding field of generative artificial intelligence, integrating robust watermarking technologies is essential to protect intellectual property and maintain content authenticity. Traditionally, watermarking techniques have been developed primarily for rich information media such as images and audio. However, these methods have not been adequately adapted for graph-based data, particularly molecular graphs. Latent 3D graph diffusion(LDM-3DG) is an ascendant approach in the molecular graph generation field. This model effectively manages the complexities of molecular structures, preserving essential symmetries and topological features. We adapt the Gaussian Shading, a proven performance lossless watermarking technique, to the latent graph diffusion domain to protect this sophisticated new technology. Our adaptation simplifies the watermark diffusion process through duplication and padding, making it adaptable and suitable for various message types. We conduct several experiments using the LDM-3DG model on publicly available datasets QM9 and Drugs, to assess the robustness and effectiveness of our technique. Our results demonstrate that the watermarked molecules maintain statistical parity in 9 out of 10 performance metrics compared to the original. Moreover, they exhibit a 100% detection rate and a 99% extraction rate in a 2D decoded pipeline, while also showing robustness against post-editing attacks.
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