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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

Dance-to-music (D2M) generation aims to automatically compose music that is rhythmically and temporally aligned with dance movements. Existing methods typically rely on coarse rhythm embeddings, such as global motion features or binarized…

Sound · Computer Science 2026-03-03 Jinting Wang , Chenxing Li , Li Liu

Image fusion aims to blend complementary information from multiple sensing modalities, yet existing approaches remain limited in robustness, adaptability, and controllability. Most current fusion networks are tailored to specific tasks and…

Computer Vision and Pattern Recognition · Computer Science 2025-12-09 Jiayang Li , Chengjie Jiang , Junjun Jiang , Pengwei Liang , Jiayi Ma , Liqiang Nie

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

Recent advances in generative modeling with diffusion processes (DPs) enabled breakthroughs in image synthesis. Despite impressive image quality, these models have various prompt compliance problems, including low recall in generating…

Computer Vision and Pattern Recognition · Computer Science 2024-10-30 Deepak Sridhar , Abhishek Peri , Rohith Rachala , Nuno Vasconcelos

Diffusion models have emerged as powerful tools for molecular generation, particularly in the context of 3D molecular structures. Inspired by non-equilibrium statistical physics, these models can generate 3D molecular structures with…

Chemical Physics · Physics 2025-05-16 Amira Alakhdar , Barnabas Poczos , Newell Washburn

Controllable pathology image synthesis requires reliable regulation of spatial layout, tissue morphology, and semantic detail. However, existing text-guided diffusion models offer only coarse global control and lack the ability to enforce…

Computer Vision and Pattern Recognition · Computer Science 2026-03-17 Yuntao Shou , Xiangyong Cao , Qian Zhao , Deyu Meng

Generating molecular structures with desired properties is a critical task with broad applications in drug discovery and materials design. We propose 3M-Diffusion, a novel multi-modal molecular graph generation method, to generate diverse,…

Machine Learning · Computer Science 2024-10-04 Huaisheng Zhu , Teng Xiao , Vasant G Honavar

Generative models have shown great promise in generating 3D geometric systems, which is a fundamental problem in many natural science domains such as molecule and protein design. However, existing approaches only operate on static…

Computer Vision and Pattern Recognition · Computer Science 2024-10-18 Jiaqi Han , Minkai Xu , Aaron Lou , Haotian Ye , Stefano Ermon

Diffusion Transformers (DiTs) have greatly advanced text-to-image generation, but models still struggle to generate the correct spatial relations between objects as specified in the text prompt. In this study, we adopt a mechanistic…

Artificial Intelligence · Computer Science 2026-04-07 Binxu Wang , Jingxuan Fan , Xu Pan

Diffusion Transformer (DiT), an emerging diffusion model for visual generation, has demonstrated superior performance but suffers from substantial computational costs. Our investigations reveal that these costs primarily stem from the…

Computer Vision and Pattern Recognition · Computer Science 2026-01-15 Wangbo Zhao , Yizeng Han , Jiasheng Tang , Kai Wang , Hao Luo , Yibing Song , Gao Huang , Fan Wang , Yang You

Diffusion Transformer (DiT), a promising diffusion model for visual generation, demonstrates impressive performance but incurs significant computational overhead. Intriguingly, analysis of pre-trained DiT models reveals that global…

Computer Vision and Pattern Recognition · Computer Science 2025-09-23 Yuang Ai , Qihang Fan , Xuefeng Hu , Zhenheng Yang , Ran He , Huaibo Huang

Generative AI presents chemists with novel ideas for drug design and facilitates the exploration of vast chemical spaces. Diffusion models (DMs), an emerging tool, have recently attracted great attention in drug R\&D. This paper…

Biomolecules · Quantitative Biology 2025-07-14 Peining Zhang , Daniel Baker , Minghu Song , Jinbo Bi

We present JointDiT, a diffusion transformer that models the joint distribution of RGB and depth. By leveraging the architectural benefit and outstanding image prior of the state-of-the-art diffusion transformer, JointDiT not only generates…

Computer Vision and Pattern Recognition · Computer Science 2025-08-06 Kwon Byung-Ki , Qi Dai , Lee Hyoseok , Chong Luo , Tae-Hyun Oh

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

In this study, we present a conditional diffusion-transformer framework for generating ensembles of three-dimensional Escherichia coli genome conformations guided by Hi-C contact maps. Instead of producing a single deterministic structure,…

Machine Learning · Computer Science 2026-03-10 Mingxin Zhang , Xiaofeng Dai , Yu Yao , Ziqi Yin

Diffusion models have shown exceptional performance in visual generation tasks. Recently, these models have shifted from traditional U-Shaped CNN-Attention hybrid structures to fully transformer-based isotropic architectures. While these…

Computer Vision and Pattern Recognition · Computer Science 2025-06-10 Yuchuan Tian , Jing Han , Chengcheng Wang , Yuchen Liang , Chao Xu , Hanting Chen

The discovery of inorganic crystal structures with targeted properties is a significant challenge in materials science. Generative models, especially state-of-the-art diffusion models, offer the promise of modeling complex data…

Multi-object tracking (MOT) is a fundamental task in computer vision with critical applications in autonomous driving and robotics. Multimodal MOT that integrates visible light and thermal infrared information is particularly essential for…

Computer Vision and Pattern Recognition · Computer Science 2025-12-01 Weiran Li , Yeqiang Liu , Yijie Wei , Mina Han , Qiannan Guo , Zhenbo Li

Diffusion models (DMs) have become the leading choice for generative tasks across diverse domains. However, their reliance on multiple sequential forward passes significantly limits real-time performance. Previous acceleration methods have…

Computer Vision and Pattern Recognition · Computer Science 2025-02-17 Ziming Liu , Yifan Yang , Chengruidong Zhang , Yiqi Zhang , Lili Qiu , Yang You , Yuqing Yang