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Deep learning methods have permeated into the research area of computer-aided drug design. The deep learning generative model and classical algorithm can be simultaneously used for three-dimensional (3D) drug design in the 3D pocket of the…

Biomolecules · Quantitative Biology 2020-06-18 Qifeng Bai

Generative AI models pose a significant challenge to intellectual property (IP), as they can replicate unique artistic styles and concepts without attribution. While watermarking offers a potential solution, existing methods often fail in…

Computer Vision and Pattern Recognition · Computer Science 2026-04-28 Li Zhang , Shruti Agarwal , John Collomosse , Pengtao Xie , Vishal Asnani

Designing molecules with desirable physiochemical properties and functionalities is a long-standing challenge in chemistry, material science, and drug discovery. Recently, machine learning-based generative models have emerged as promising…

Biomolecules · Quantitative Biology 2023-04-26 Zaixi Zhang , Qi Liu , Chee-Kong Lee , Chang-Yu Hsieh , Enhong Chen

Watermarking enables GenAI providers to verify whether content was generated by their models. A watermark is a hidden signal in the content, whose presence can be detected using a secret watermark key. A core security threat are forgery…

Cryptography and Security · Computer Science 2026-05-12 Toluwani Aremu , Noor Hussein , Munachiso Nwadike , Samuele Poppi , Jie Zhang , Karthik Nandakumar , Neil Gong , Nils Lukas

AI-Generated Content (AIGC) is rapidly expanding, with services using advanced generative models to create realistic images and fluent text. Regulating such content is crucial to prevent policy violations, such as unauthorized…

Computer Vision and Pattern Recognition · Computer Science 2025-02-04 Guanlin Li , Yifei Chen , Jie Zhang , Shangwei Guo , Han Qiu , Guoyin Wang , Jiwei Li , Tianwei Zhang

Watermarking has emerged as a pivotal solution for content traceability and intellectual property protection in Large Vision-Language Models (LVLMs). However, vision-agnostic watermarks may introduce visually irrelevant tokens and disrupt…

Computer Vision and Pattern Recognition · Computer Science 2026-02-11 Yue Li , Xin Yi , Dongsheng Shi , Yongyi Cui , Gerard de Melo , Linlin Wang

Although artificial intelligence (AI) has made significant progress in understanding molecules in a wide range of fields, existing models generally acquire the single cognitive ability from the single molecular modality. Since the hierarchy…

Machine Learning · Computer Science 2022-09-14 Bing Su , Dazhao Du , Zhao Yang , Yujie Zhou , Jiangmeng Li , Anyi Rao , Hao Sun , Zhiwu Lu , Ji-Rong Wen

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

Large language models (LLMs) have demonstrated outstanding performance, making them valuable digital assets with significant commercial potential. Unfortunately, the LLM and its API are susceptible to intellectual property theft.…

Cryptography and Security · Computer Science 2024-07-25 Shuai Li , Kejiang Chen , Kunsheng Tang , Jie Zhang , Weiming Zhang , Nenghai Yu , Kai Zeng

Code datasets are of immense value for training neural-network-based code completion models, where companies or organizations have made substantial investments to establish and process these datasets. Unluckily, these datasets, either built…

Software Engineering · Computer Science 2023-08-29 Zhensu Sun , Xiaoning Du , Fu Song , Li Li

How to produce expressive molecular representations is a fundamental challenge in AI-driven drug discovery. Graph neural network (GNN) has emerged as a powerful technique for modeling molecular data. However, previous supervised approaches…

Machine Learning · Computer Science 2020-12-22 Pengyong Li , Jun Wang , Yixuan Qiao , Hao Chen , Yihuan Yu , Xiaojun Yao , Peng Gao , Guotong Xie , Sen Song

As large language models (LLMs) become integral to applications such as question answering and content creation, reliable content attribution has become increasingly important. Watermarking is a promising approach, but most existing methods…

Cryptography and Security · Computer Science 2026-05-11 Ya Jiang , Massieh Kordi Boroujeny , Surender Suresh Kumar , Kai Zeng

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 has emerged as a leading technical proposal for attributing generative AI content and is increasingly cited in global governance frameworks. This position paper argues that current implementations risk serving as symbolic…

Cryptography and Security · Computer Science 2026-03-04 Alexander Nemecek , Yuzhou Jiang , Erman Ayday

Watermarking is one of the most important copyright protection tools for digital media. The most challenging type of watermarking is the imperceptible one, which embeds identifying information in the data while retaining the latter's…

Computer Vision and Pattern Recognition · Computer Science 2023-05-12 Natan Semyonov , Rami Puzis , Asaf Shabtai , Gilad Katz

We demonstrate that while the current approaches for language model watermarking are effective for open-ended generation, they are inadequate at watermarking LM outputs for constrained generation tasks with low-entropy output spaces.…

Cryptography and Security · Computer Science 2026-01-21 Nghia T. Le , Alan Ritter , Kartik Goyal

The proliferation of AI-generated content brings significant concerns on the forensic and security issues such as source tracing, copyright protection, etc, highlighting the need for effective watermarking technologies. Font-based text…

Computer Vision and Pattern Recognition · Computer Science 2025-04-07 Kahim Wong , Jicheng Zhou , Kemou Li , Yain-Whar Si , Xiaowei Wu , Jiantao Zhou

Understanding and continuously refining multimodal molecular knowledge is crucial for advancing biomedicine, chemistry, and materials science. Molecule language models (MoLMs) have become powerful tools in these domains, integrating…

Machine Learning · Computer Science 2025-12-01 Zhenyu Lei , Patrick Soga , Yaochen Zhu , Yinhan He , Yushun Dong , Jundong Li

Molecule design is a fundamental problem in molecular science and has critical applications in a variety of areas, such as drug discovery, material science, etc. However, due to the large searching space, it is impossible for human experts…

Machine Learning · Computer Science 2022-03-29 Yuanqi Du , Tianfan Fu , Jimeng Sun , Shengchao Liu

AI-powered generative models have significantly expanded the possibilities for editing, manipulating, and creating high-quality images. Particularly, images that falsely appear to originate from trusted sources pose a serious threat,…

Cryptography and Security · Computer Science 2026-04-28 Mathias Graf , Marco Willi , Melanie Mathys , Michael Aerni , Christian Schwarzer , Martin Melchior , Michael H. Graber