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Accurate and efficient prediction of the molecular properties of drugs is one of the fundamental problems in drug research and development. Recent advancements in representation learning have been shown to greatly improve the performance of…

Biomolecules · Quantitative Biology 2022-06-17 Hui Liu , Yibiao Huang , Xuejun Liu , Lei Deng

The rapid development of Artificial Intelligence Generated Content (AIGC) has led to significant progress in video generation, but also raises serious concerns about intellectual property protection and reliable content tracing.…

Computer Vision and Pattern Recognition · Computer Science 2025-11-18 Yu Huang , Junhao Chen , Shuliang Liu , Hanqian Li , Jungang Li , Qi Zheng , Aiwei Liu , Yi R. Fung , Xuming Hu

This work introduces MiDi, a novel diffusion model for jointly generating molecular graphs and their corresponding 3D arrangement of atoms. Unlike existing methods that rely on predefined rules to determine molecular bonds based on the 3D…

Machine Learning · Computer Science 2023-06-06 Clement Vignac , Nagham Osman , Laura Toni , Pascal Frossard

Latent-based diffusion model watermarking embeds watermarks into generated images' latent space to enable content attribution, offering a training-free solution for intellectual property protection and digital forensics. However, these…

Computer Vision and Pattern Recognition · Computer Science 2026-05-05 Jiewei Lai , Lan Zhang , Chen Tang , Pengcheng Sun , Zhaopeng Zhang , Yunhao Wang , Hui Jin

Image-based 3D generation has vast applications in robotics and gaming, where high-quality, diverse outputs and consistent 3D representations are crucial. However, existing methods have limitations: 3D diffusion models are limited by…

Computer Vision and Pattern Recognition · Computer Science 2025-03-11 Ye Tao , Jiawei Zhang , Yahao Shi , Dongqing Zou , Bin Zhou

Graph Neural Networks usually rely on the assumption that the graph topology is available to the network as well as optimal for the downstream task. Latent graph inference allows models to dynamically learn the intrinsic graph structure of…

Machine Learning · Computer Science 2023-06-28 Haitz Sáez de Ocáriz Borde , Anees Kazi , Federico Barbero , Pietro Liò

Diffusion models have made substantial advances in recent years, enabling high-quality image synthesis; however, the widespread dissemination and reuse of their outputs have introduced new challenges in intellectual property protection and…

Cryptography and Security · Computer Science 2026-03-11 Yuqi Qian , Yun Cao , Haocheng Fu , Meiyang Lv , Meineng Zhu

As diffusion models (DMs) enable photorealistic image generation at unprecedented scale, watermarking techniques have become essential for provenance establishment and accountability. Existing methods face challenges: sampling-based…

Computer Vision and Pattern Recognition · Computer Science 2026-03-24 Hong-Hanh Nguyen-Le , Van-Tuan Tran , Thuc D. Nguyen , Nhien-An Le-Khac

Generating graph-structured data is a challenging problem, which requires learning the underlying distribution of graphs. Various models such as graph VAE, graph GANs, and graph diffusion models have been proposed to generate meaningful and…

Machine Learning · Computer Science 2024-04-16 Tianze Luo , Zhanfeng Mo , Sinno Jialin Pan

Recent text-guided generation of individual 3D object has achieved great success using diffusion priors. However, these methods are not suitable for object insertion and replacement tasks as they do not consider the background, leading to…

Computer Vision and Pattern Recognition · Computer Science 2025-08-25 Hanyuan Xiao , Yingshu Chen , Huajian Huang , Haolin Xiong , Jing Yang , Pratusha Prasad , Yajie Zhao

Molecule generation is a very important practical problem, with uses in drug discovery and material design, and AI methods promise to provide useful solutions. However, existing methods for molecule generation focus either on 2D graph…

Machine Learning · Computer Science 2024-02-07 Chenqing Hua , Sitao Luan , Minkai Xu , Rex Ying , Jie Fu , Stefano Ermon , Doina Precup

Graph Neural Networks (GNNs) have become invaluable intellectual property in graph-based machine learning. However, their vulnerability to model stealing attacks when deployed within Machine Learning as a Service (MLaaS) necessitates robust…

Cryptography and Security · Computer Science 2025-01-14 Venkata Sai Pranav Bachina , Ankit Gangwal , Aaryan Ajay Sharma , Charu Sharma

We address the problem of data augmentation in a rotating turbulence set-up, a paradigmatic challenge in geophysical applications. The goal is to reconstruct information in two-dimensional (2D) cuts of the three-dimensional flow fields,…

Artificial Intelligence Generated Content (AIGC), particularly video generation with diffusion models, has been advanced rapidly. Invisible watermarking is a key technology for protecting AI-generated videos and tracing harmful content, and…

Computer Vision and Pattern Recognition · Computer Science 2026-03-04 Xinjie Zhu , Zijing Zhao , Hui Jin , Qingxiao Guo , Yilong Ma , Yunhao Wang , Xiaobing Guo , Weifeng Zhang

Watermarking (WM) is a critical mechanism for detecting and attributing AI-generated content. Current WM methods for Large Language Models (LLMs) are predominantly tailored for autoregressive (AR) models: They rely on tokens being generated…

Computation and Language · Computer Science 2026-01-21 Ofek Raban , Ethan Fetaya , Gal Chechik

Watermarking techniques offer a promising way to identify machine-generated content via embedding covert information into the contents generated from language models. A challenge in the domain lies in preserving the distribution of original…

Cryptography and Security · Computer Science 2024-06-26 Yihan Wu , Zhengmian Hu , Junfeng Guo , Hongyang Zhang , Heng Huang

Physical systems with complex unsteady dynamics, such as fluid flows, are often poorly represented by a single mean solution. For many practical applications, it is crucial to access the full distribution of possible states, from which…

Computational Physics · Physics 2025-04-07 Mario Lino , Tobias Pfaff , Nils Thuerey

Generative image modeling enables a wide range of applications but raises ethical concerns about responsible deployment. This paper introduces an active strategy combining image watermarking and Latent Diffusion Models. The goal is for all…

Computer Vision and Pattern Recognition · Computer Science 2023-07-27 Pierre Fernandez , Guillaume Couairon , Hervé Jégou , Matthijs Douze , Teddy Furon

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…

Machine Learning · Computer Science 2025-10-23 Daniel Wesego

In this paper, we introduce a simple yet effective tabular data watermarking mechanism with statistical guarantees. We show theoretically that the proposed watermark can be effectively detected, while faithfully preserving the data…

Cryptography and Security · Computer Science 2024-05-28 Hengzhi He , Peiyu Yu , Junpeng Ren , Ying Nian Wu , Guang Cheng
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