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3D facial modelling and animation in computer vision and graphics traditionally require either digital artist's skill or complex pipelines with objective-function-based solvers to fit models to motion capture. This inaccessibility of…

Effectively designing molecular geometries is essential to advancing pharmaceutical innovations, a domain, which has experienced great attention through the success of generative models and, in particular, diffusion models. However, current…

Biomolecules · Quantitative Biology 2025-01-07 Sirine Ayadi , Leon Hetzel , Johanna Sommer , Fabian Theis , Stephan Günnemann

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

The acquisition of annotated datasets with paired images and segmentation masks is a critical challenge in domains such as medical imaging, remote sensing, and computer vision. Manual annotation demands significant resources, faces ethical…

Computer Vision and Pattern Recognition · Computer Science 2025-03-26 Rupak Bose , Chinedu Innocent Nwoye , Aditya Bhat , Nicolas Padoy

Three-dimensional molecular generators based on diffusion models can now reach near-crystallographic accuracy, yet they remain fragmented across tasks. SMILES-only inputs, two-stage pretrain-finetune pipelines, and one-task-one-model…

Biomolecules · Quantitative Biology 2025-07-11 Dong Xu , Zhangfan Yang , Sisi Yuan , Jenna Xinyi Yao , Jiangqiang Li , Junkai Ji

Despite recent advances in 3D human motion generation (MoGen) on standard benchmarks, existing text-to-motion models still face a fundamental bottleneck in their generalization capability. In contrast, adjacent generative fields, most…

Computer Vision and Pattern Recognition · Computer Science 2026-03-31 Jing Lin , Ruisi Wang , Junzhe Lu , Ziqi Huang , Guorui Song , Ailing Zeng , Xian Liu , Chen Wei , Wanqi Yin , Qingping Sun , Zhongang Cai , Lei Yang , Ziwei Liu

Graph neural networks are emerging as promising methods for modeling molecular graphs, in which nodes and edges correspond to atoms and chemical bonds, respectively. Recent studies show that when 3D molecular geometries, such as bond…

Machine Learning · Computer Science 2021-10-06 Zhao Xu , Youzhi Luo , Xuan Zhang , Xinyi Xu , Yaochen Xie , Meng Liu , Kaleb Dickerson , Cheng Deng , Maho Nakata , Shuiwang Ji

Graph generation generally aims to create new graphs that closely align with a specific graph distribution. Existing works often implicitly capture this distribution through the optimization of generators, potentially overlooking the…

Machine Learning · Computer Science 2024-07-19 Song Wang , Zhen Tan , Xinyu Zhao , Tianlong Chen , Huan Liu , Jundong Li

The creation of manufacturable and editable 3D shapes through Computer-Aided Design (CAD) remains a highly manual and time-consuming task, hampered by the complex topology of boundary representations of 3D solids and unintuitive design…

Computer Vision and Pattern Recognition · Computer Science 2025-04-10 Md Ferdous Alam , Faez Ahmed

Deep generative modeling has emerged as a powerful tool for synthesizing realistic medical images, driving advances in medical image analysis, disease diagnosis, and treatment planning. This chapter explores various deep generative models…

Image and Video Processing · Electrical Eng. & Systems 2024-10-24 Paul Friedrich , Yannik Frisch , Philippe C. Cattin

This work explores the use of 3D generative models to synthesize training data for 3D vision tasks. The key requirements of the generative models are that the generated data should be photorealistic to match the real-world scenarios, and…

Computer Vision and Pattern Recognition · Computer Science 2023-04-10 Leheng Li , Qing Lian , Luozhou Wang , Ningning Ma , Ying-Cong Chen

Cryo-EM reconstruction algorithms seek to determine a molecule's 3D density map from a series of noisy, unlabeled 2D projection images captured with an electron microscope. Although reconstruction algorithms typically model the 3D volume as…

Biomolecules · Quantitative Biology 2021-07-06 Ellen D. Zhong , Adam Lerer , Joseph H. Davis , Bonnie Berger

Robots operating in unstructured environments often require accurate and consistent object-level representations. This typically requires segmenting individual objects from the robot's surroundings. While recent large models such as Segment…

Robotics · Computer Science 2025-04-07 Haozhan Tang , Tianyi Zhang , Oliver Kroemer , Matthew Johnson-Roberson , Weiming Zhi

Deep generative models that learn from the distribution of natural protein sequences and structures may enable the design of new proteins with valuable functions. While the majority of today's models focus on generating either sequences or…

Biomolecules · Quantitative Biology 2024-10-03 Chentong Wang , Sarah Alamdari , Carles Domingo-Enrich , Ava Amini , Kevin K. Yang

In recent years, significant progress has been made in both image generation and generated image detection. Despite their rapid, yet largely independent, development, these two fields have evolved distinct architectural paradigms: the…

Computer Vision and Pattern Recognition · Computer Science 2026-04-24 Yanran Zhang , Wenzhao Zheng , Yifei Li , Bingyao Yu , Yu Zheng , Lei Chen , Jiwen Lu , Jie Zhou

In recent years, Generative Adversarial Networks have achieved impressive results in photorealistic image synthesis. This progress nurtures hopes that one day the classical rendering pipeline can be replaced by efficient models that are…

Computer Vision and Pattern Recognition · Computer Science 2020-03-25 Yiyi Liao , Katja Schwarz , Lars Mescheder , Andreas Geiger

We propose a novel and trainable graph unpooling layer for effective graph generation. Given a graph with features, the unpooling layer enlarges this graph and learns its desired new structure and features. Since this unpooling layer is…

Machine Learning · Computer Science 2023-03-07 Yinglong Guo , Dongmian Zou , Gilad Lerman

Understanding and predicting the diverse conformational states of molecules is crucial for advancing fields such as chemistry, material science, and drug development. Despite significant progress in generative models, accurately generating…

Machine Learning · Computer Science 2025-01-14 Zhejun Zhang , Yuanping Chen , Shibing Chu

Goal-directed molecular generation requires satisfying heterogeneous constraints such as protein--ligand compatibility and multi-objective drug-like properties, yet existing methods often optimize these constraints in isolation, failing to…

Machine Learning · Computer Science 2026-04-14 Yanting Li , Zhuoyang Jiang , Enyan Dai , Lei Wang , Wen-Cai Ye , Li Liu

While generative models have recently become ubiquitous in many scientific areas, less attention has been paid to their evaluation. For molecular generative models, the state-of-the-art examines their output in isolation or in relation to…

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