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Image composition targets at synthesizing a realistic composite image from a pair of foreground and background images. Recently, generative composition methods are built on large pretrained diffusion models to generate composite images,…

Computer Vision and Pattern Recognition · Computer Science 2023-08-22 Bo Zhang , Yuxuan Duan , Jun Lan , Yan Hong , Huijia Zhu , Weiqiang Wang , Li Niu

Recently, 3D vision-based diffusion policies have shown strong capability in learning complex robotic manipulation skills. However, a common architectural mismatch exists in these models: a tiny yet efficient point-cloud encoder is often…

Robotics · Computer Science 2026-02-02 Jinhao Zhang , Zhexuan Zhou , Huizhe Li , Yichen Lai , Wenlong Xia , Haoming Song , Youmin Gong , Jie Mei

Drug optimization has become increasingly crucial in light of fast-mutating virus strains and drug-resistant cancer cells. Nevertheless, it remains challenging as it necessitates retaining the beneficial properties of the original drug…

Biomolecules · Quantitative Biology 2025-08-12 Xuefeng Liu , Songhao Jiang , Ian Foster , Jinbo Xu , Rick Stevens

Diffusion models have recently gained significant attention in robotics due to their ability to generate multi-modal distributions of system states and behaviors. However, a key challenge remains: ensuring precise control over the generated…

Robotics · Computer Science 2025-10-01 Luobin Wang , Hongzhan Yu , Chenning Yu , Sicun Gao , Henrik Christensen

Deformable object manipulation is critical to many real-world robotic applications, ranging from surgical robotics and soft material handling in manufacturing to household tasks like laundry folding. At the core of this important robotic…

n this work, we propose a latent molecular diffusion model that can make the generated 3D molecules rich in diversity and maintain rich geometric features. The model captures the information of the forces and local constraints between atoms…

Machine Learning · Computer Science 2024-12-06 Xiang Chen

Controllable generation of 3D assets is important for many practical applications like content creation in movies, games and engineering, as well as in AR/VR. Recently, diffusion models have shown remarkable results in generation quality of…

Computer Vision and Pattern Recognition · Computer Science 2024-08-01 Philipp Schröppel , Christopher Wewer , Jan Eric Lenssen , Eddy Ilg , Thomas Brox

Generative models, especially diffusion models (DMs), have achieved promising results for generating feature-rich geometries and advancing foundational science problems such as molecule design. Inspired by the recent huge success of Stable…

Machine Learning · Computer Science 2023-05-03 Minkai Xu , Alexander Powers , Ron Dror , Stefano Ermon , Jure Leskovec

We propose a molecular generative model based on the conditional variational autoencoder for de novo molecular design. It is specialized to control multiple molecular properties simultaneously by imposing them on a latent space. As a proof…

Machine Learning · Computer Science 2018-06-18 Jaechang Lim , Seongok Ryu , Jin Woo Kim , Woo Youn Kim

Deep generative models that produce novel molecular structures have the potential to facilitate chemical discovery. Flow matching is a recently proposed generative modeling framework that has achieved impressive performance on a variety of…

Machine Learning · Computer Science 2024-11-26 Ian Dunn , David R. Koes

Designing new molecules is essential for drug discovery and material science. Recently, deep generative models that aim to model molecule distribution have made promising progress in narrowing down the chemical research space and generating…

Biomolecules · Quantitative Biology 2023-06-06 Han Huang , Leilei Sun , Bowen Du , Weifeng Lv

De novo drug design requires simultaneously generating novel molecules outside of training data and predicting their target properties, making it a hard task for generative models. To address this, we propose Joint Transformer that combines…

Machine Learning · Computer Science 2023-12-05 Adam Izdebski , Ewelina Weglarz-Tomczak , Ewa Szczurek , Jakub M. Tomczak

This study presents a generative optimization framework that builds on a fine-tuned diffusion model and reward-directed sampling to generate high-performance engineering designs. The framework adopts a parametric representation of the…

Machine Learning · Computer Science 2025-08-05 Hadi Keramati , Patrick Kirchen , Mohammed Hannan , Rajeev K. Jaiman

3D asset generation plays a pivotal role in fields such as gaming and virtual reality, enabling the rapid synthesis of high-fidelity 3D objects from a single or multiple images. Building on this capability, enabling style-controllable…

Computer Vision and Pattern Recognition · Computer Science 2026-05-08 Yiran Qiao , Yiren Lu , Yunlai Zhou , Disheng Liu , Linlin Hou , Rui Yang , Yu Yin , Jing Ma

Discrete diffusion models form a powerful class of generative models across diverse domains, including text and graphs. However, existing approaches face fundamental limitations. Masked diffusion models suffer from irreversible errors due…

Machine Learning · Computer Science 2026-04-21 Marcel Kollovieh , Sirine Ayadi , Stephan Günnemann

Current perceptive models heavily depend on resource-intensive datasets, prompting the need for innovative solutions. Leveraging recent advances in diffusion models, synthetic data, by constructing image inputs from various annotations,…

Computer Vision and Pattern Recognition · Computer Science 2024-03-21 Yibo Wang , Ruiyuan Gao , Kai Chen , Kaiqiang Zhou , Yingjie Cai , Lanqing Hong , Zhenguo Li , Lihui Jiang , Dit-Yan Yeung , Qiang Xu , Kai Zhang

Diffusion models for continuous data gained widespread adoption owing to their high quality generation and control mechanisms. However, controllable diffusion on discrete data faces challenges given that continuous guidance methods do not…

Synthesizability remains a critical bottleneck in generative molecular design. While recent advances have addressed synthesizability in 2D graphs, extending these constraints to 3D for geometry-based conditional generation remains largely…

Generating molecules with high binding affinities to target proteins (a.k.a. structure-based drug design) is a fundamental and challenging task in drug discovery. Recently, deep generative models have achieved remarkable success in…

Biomolecules · Quantitative Biology 2023-05-24 Zaixi Zhang , Qi Liu

Antibodies are essential proteins responsible for immune responses in organisms, capable of specifically recognizing antigen molecules of pathogens. Recent advances in generative models have significantly enhanced rational antibody design.…

Artificial Intelligence · Computer Science 2025-11-10 Zichen Wang , Yaokun Ji , Jianing Tian , Shuangjia Zheng
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