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200 papers

Predicting molecular conformations from molecular graphs is a fundamental problem in cheminformatics and drug discovery. Recently, significant progress has been achieved with machine learning approaches, especially with deep generative…

Machine Learning · Computer Science 2022-03-16 Minkai Xu , Lantao Yu , Yang Song , Chence Shi , Stefano Ermon , Jian Tang

Graph-structured datasets are increasingly central to sensitive applications spanning social networks, biomedical research, and cryptographic systems. As organizations share these datasets with trusted parties for collaborative analysis,…

Cryptography and Security · Computer Science 2026-03-12 Alexander Nemecek , Emre Yilmaz , Erman Ayday

De novo molecular generation from tandem mass spectra is a challenging inverse problem whose core difficulty lies in the circular dependency between atom-level and bond-level reasoning: determining a bond's type requires knowing its…

Machine Learning · Computer Science 2026-05-11 Xujun Che , Xiuxia Du , Depeng Xu

Image representation is a fundamental task in computer vision. Recently, Gaussian Splatting has emerged as an efficient representation framework, and its extension to 2D image representation enables lightweight, yet expressive modeling of…

Computer Vision and Pattern Recognition · Computer Science 2025-12-30 Masaya Takabe , Hiroshi Watanabe , Sujun Hong , Tomohiro Ikai , Zheming Fan , Ryo Ishimoto , Kakeru Sugimoto , Ruri Imichi

Gaussian Splatting has become a popular technique for various 3D Computer Vision tasks, including novel view synthesis, scene reconstruction, and dynamic scene rendering. However, the challenge of natural-looking object insertion, where the…

Computer Vision and Pattern Recognition · Computer Science 2026-05-04 Vsevolod Skorokhodov , Nikita Durasov , Pascal Fua

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

As AI-generated images become widespread, reliable watermarking is essential for content verification, copyright enforcement, and combating disinformation. Existing techniques rely on heuristic approaches and lack formal guarantees of…

Cryptography and Security · Computer Science 2025-09-01 Kareem Shehata , Aashish Kolluri , Prateek Saxena

Generation of graphs is a major challenge for real-world tasks that require understanding the complex nature of their non-Euclidean structures. Although diffusion models have achieved notable success in graph generation recently, they are…

Machine Learning · Computer Science 2024-06-04 Jaehyeong Jo , Dongki Kim , Sung Ju Hwang

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…

Machine Learning · Computer Science 2022-06-16 Jaehyeong Jo , Seul Lee , Sung Ju Hwang

This paper tackles the pressing challenge of mutagenicity prediction by introducing three ground-breaking approaches. First, it showcases the superior performance of 2D scattering coefficients extracted from molecular images, compared to…

Machine Learning · Computer Science 2024-11-26 Abdeljalil Zoubir , Badr Missaoui

In this paper, a novel semantic communication framework empowered by generative artificial intelligence (GAI) is proposed, to enhance the robustness against both channel noise and transmission data distribution shifts. A theoretical…

Machine Learning · Computer Science 2025-07-18 Xiucheng Wang , Honggang Jia , Nan Cheng

3D Gaussian Splatting (3DGS) enables high-fidelity real-time rendering, a key requirement for immersive applications. However, the extension of 3DGS to dynamic scenes remains limitations on the substantial data volume of dense Gaussians and…

Computer Vision and Pattern Recognition · Computer Science 2025-09-01 Jiayu Yang , Weijian Su , Songqian Zhang , Yuqi Han , Jinli Suo , Qiang Zhang

Graphical models are commonly used tools for modeling multivariate random variables. While there exist many convenient multivariate distributions such as Gaussian distribution for continuous data, mixed data with the presence of discrete…

Machine Learning · Statistics 2014-04-30 Jianqing Fan , Han Liu , Yang Ning , Hui Zou

Text-to-image diffusion models, such as Stable Diffusion, have shown exceptional potential in generating high-quality images. However, recent studies highlight concerns over the use of unauthorized data in training these models, which may…

Computer Vision and Pattern Recognition · Computer Science 2024-11-28 Soumil Datta , Shih-Chieh Dai , Leo Yu , Guanhong Tao

Robust 3D mesh watermarking is a traditional research topic in computer graphics, which provides an efficient solution to the copyright protection for 3D meshes. Traditionally, researchers need manually design watermarking algorithms to…

Graphics · Computer Science 2021-09-16 Feng Wang , Hang Zhou , Han Fang , Xiaojuan Dong , Weiming Zhang , Xi Yang , Nenghai Yu

We study the problem of watermarking large language models (LLMs) generated text -- one of the most promising approaches for addressing the safety challenges of LLM usage. In this paper, we propose a rigorous theoretical framework to…

Computation and Language · Computer Science 2023-10-16 Xuandong Zhao , Prabhanjan Ananth , Lei Li , Yu-Xiang Wang

With the proliferation of AI-generated images, digital watermarking has become an essential safeguard for protecting intellectual property and mitigating malicious exploitation. Recent works on semantic watermarking have enabled efficient…

Computer Vision and Pattern Recognition · Computer Science 2026-05-12 Minh Quoc Duong , Chun Tong Lei , Chun Pong Lau

Existing approaches for watermarking AI-generated images often rely on post-hoc methods applied in pixel space, introducing computational overhead and potential visual artifacts. In this work, we explore latent space watermarking and…

Computer Vision and Pattern Recognition · Computer Science 2026-01-23 Sylvestre-Alvise Rebuffi , Tuan Tran , Valeriu Lacatusu , Pierre Fernandez , Tomáš Souček , Nikola Jovanović , Tom Sander , Hady Elsahar , Alexandre Mourachko

In the field of 3D dynamic scene reconstruction, how to balance model convergence rate and rendering quality has long been a critical challenge that urgently needs to be addressed, particularly in high-precision modeling of scenes with…

Computer Vision and Pattern Recognition · Computer Science 2026-01-12 Nengbo Lu , Minghua Pan , Shaohua Sun , Yizhou Liang

We consider the problem of molecular graph generation using deep models. While graphs are discrete, most existing methods use continuous latent variables, resulting in inaccurate modeling of discrete graph structures. In this work, we…

Machine Learning · Computer Science 2021-06-03 Youzhi Luo , Keqiang Yan , Shuiwang Ji