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Molecular conformation generation (MCG) is a fundamental and important problem in drug discovery. Many traditional methods have been developed to solve the MCG problem, such as systematic searching, model-building, random searching,…

Computational Engineering, Finance, and Science · Computer Science 2023-03-28 Gengmo Zhou , Zhifeng Gao , Zhewei Wei , Hang Zheng , Guolin Ke

The wide application of deep learning techniques is boosting the regulation of deep learning models, especially deep neural networks (DNN), as commercial products. A necessary prerequisite for such regulations is identifying the owner of…

Cryptography and Security · Computer Science 2021-12-30 Fang-Qi Li , Shi-Lin Wang , Yun Zhu

In the rapidly evolving domain of artificial intelligence, safeguarding the intellectual property of Large Language Models (LLMs) is increasingly crucial. Current watermarking techniques against model extraction attacks, which rely on…

Cryptography and Security · Computer Science 2024-05-03 Minhao Bai , Kaiyi Pang , Yongfeng Huang

The protection of intellectual property has become critical due to the rapid growth of three-dimensional content in digital media. Unlike traditional images or videos, 3D point clouds present unique challenges for copyright enforcement, as…

Computer Vision and Pattern Recognition · Computer Science 2026-04-07 Khandoker Ashik Uz Zaman , Mohammad Zahangir Alam , Mohammed N. M. Ali , Mahdi H. Miraz

Deepfake speech attribution remains challenging for existing solutions. Classifier-based solutions often fail to generalize to domain-shifted samples, and watermarking-based solutions are easily compromised by distortions like codec…

Audio and Speech Processing · Electrical Eng. & Systems 2025-10-16 Wanying Ge , Xin Wang , Junichi Yamagishi

Large Language Models (LLMs) have experienced rapid advancements, with applications spanning a wide range of fields, including sentiment classification, review generation, and question answering. Due to their efficiency and versatility,…

Cryptography and Security · Computer Science 2025-06-17 Yugeng Liu , Tianshuo Cong , Michael Backes , Zheng Li , Yang Zhang

Technologies of the Internet of Things (IoT) facilitate digital contents such as images being acquired in a massive way. However, consideration from the privacy or legislation perspective still demands the need for intellectual content…

Multimedia · Computer Science 2020-03-30 Yurui Ming , Weiping Ding , Zehong Cao , Chin-Teng Lin

Molecular machine learning (ML) has proven important for tackling various molecular problems, such as predicting molecular properties based on molecular descriptors or fingerprints. Since relatively recently, graph neural network (GNN)…

Machine Learning · Computer Science 2023-09-06 Alexander Kensert , Gert Desmet , Deirdre Cabooter

The most effective techniques to detect LLM-generated text rely on inserting a detectable signature -- or watermark -- during the model's decoding process. Most existing watermarking methods require access to the underlying LLM's logits,…

Machine Learning · Computer Science 2024-10-14 Yapei Chang , Kalpesh Krishna , Amir Houmansadr , John Wieting , Mohit Iyyer

In the field of chemical structure recognition, the task of converting molecular images into machine-readable data formats such as SMILES string stands as a significant challenge, primarily due to the varied drawing styles and conventions…

Computer Vision and Pattern Recognition · Computer Science 2025-03-12 Yufan Chen , Ching Ting Leung , Yong Huang , Jianwei Sun , Hao Chen , Hanyu Gao

Constructing and curating high-quality code datasets requires significant resources, making them valuable intellectual property. Unfortunately, these datasets currently face severe risks of unauthorized use. Although digital watermarking…

Software Engineering · Computer Science 2026-05-01 Haocheng Huang , Yuchen Chen , Weisong Sun , Peizhuo Lv , Yuan Xiao , Chunrong Fang , Yang Liu , Xiaofang Zhang

Audio watermarking is widely used for leaking source tracing. The robustness of the watermark determines the traceability of the algorithm. With the development of digital technology, audio re-recording (AR) has become an efficient and…

Sound · Computer Science 2023-04-04 Chang Liu , Jie Zhang , Han Fang , Zehua Ma , Weiming Zhang , Nenghai Yu

Machine learning advances chemistry and materials science by enabling large-scale exploration of chemical space based on quantum chemical calculations. While these models supply fast and accurate predictions of atomistic chemical…

Chemical Physics · Physics 2019-06-25 K. T. Schütt , M. Gastegger , A. Tkatchenko , K. -R. Müller , R. J. Maurer

With the application of vertical domain pre-trained language models (VPLMs) in specialized fields such as medical, finance, and law, model parameters and inference capabilities have become important digital assets. Achieving traceable…

Cryptography and Security · Computer Science 2026-05-05 Cong Kong , Xin Cheng , Zhaoxia Yin , Shuai Li , Jie Zhang , Weiming Zhang

Generating molecules with desired biological activities has attracted growing attention in drug discovery. Previous molecular generation models are designed as chemocentric methods that hardly consider the drug-target interaction, limiting…

Machine Learning · Computer Science 2022-10-24 Cheng Tan , Zhangyang Gao , Stan Z. Li

A molecule's properties are fundamentally determined by its composition and structure encoded in its molecular graph. Thus, reasoning about molecular properties requires the ability to parse and understand the molecular graph. Large…

Machine Learning · Computer Science 2026-01-22 Christoph Bartmann , Johannes Schimunek , Mykyta Ielanskyi , Philipp Seidl , Günter Klambauer , Sohvi Luukkonen

Multi-bit watermarking has emerged as a promising solution for embedding imperceptible binary messages into Large Language Model (LLM)-generated text, enabling reliable attribution and tracing of malicious usage of LLMs. Despite recent…

Computation and Language · Computer Science 2026-04-17 Jiahao Xu , Rui Hu , Olivera Kotevska , Zikai Zhang

Advancements in digital technologies make it easy to modify the content of digital images. Hence, ensuring digital images integrity and authenticity is necessary to protect them against various attacks that manipulate them. We present a…

Cryptography and Security · Computer Science 2025-02-27 Sudev Kumar Padhi , Archana Tiwari , Sk. Subidh Ali

As AI-generated sensitive images become more prevalent, identifying their source is crucial for distinguishing them from real images. Conventional image watermarking methods are vulnerable to common transformations like filters, lossy…

Computer Vision and Pattern Recognition · Computer Science 2025-03-17 Shree Singhi , Aayan Yadav , Aayush Gupta , Shariar Ebrahimi , Parisa Hassanizadeh

The widespread application of Artificial Intelligence (AI) techniques has significantly influenced the development of new therapeutic agents. These computational methods can be used to design and predict the properties of generated…

Neural and Evolutionary Computing · Computer Science 2024-08-21 Arthur Cerveira , Frederico Kremer , Darling de Andrade Lourenço , Ulisses B Corrêa
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