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The remarkable success of Large Language Models (LLMs) across diverse tasks has driven the research community to extend their capabilities to molecular applications. However, most molecular LLMs employ adapter-based architectures that do…

Computation and Language · Computer Science 2025-06-24 Shuhan Guo , Yatao Bian , Ruibing Wang , Nan Yin , Zhen Wang , Quanming Yao

Masked diffusion models (MDMs) have recently emerged as a novel framework for language modeling. MDMs generate sentences by iteratively denoising masked sequences, filling in [MASK] tokens step by step. Although MDMs support any-order…

Machine Learning · Computer Science 2026-02-27 Chunsan Hong , Seonho An , Min-Soo Kim , Jong Chul Ye

Diffusion generative models have recently greatly improved the power of text-conditioned image generation. Existing image generation models mainly include text conditional diffusion model and cross-modal guided diffusion model, which are…

Computer Vision and Pattern Recognition · Computer Science 2022-11-04 Wei Li , Xue Xu , Xinyan Xiao , Jiachen Liu , Hu Yang , Guohao Li , Zhanpeng Wang , Zhifan Feng , Qiaoqiao She , Yajuan Lyu , Hua Wu

The de novo generation of molecules with targeted properties is crucial in biology, chemistry, and drug discovery. Current generative models are limited to using single property values as conditions, struggling with complex customizations…

Machine Learning · Computer Science 2024-10-08 Yanchen Luo , Junfeng Fang , Sihang Li , Zhiyuan Liu , Jiancan Wu , An Zhang , Wenjie Du , Xiang Wang

Understanding and designing biomolecules, such as proteins and small molecules, is central to advancing drug discovery, synthetic biology and enzyme engineering. Recent breakthroughs in artificial intelligence have revolutionized…

Computation and Language · Computer Science 2025-07-28 Xiang Zhuang , Keyan Ding , Tianwen Lyu , Yinuo Jiang , Xiaotong Li , Zhuoyi Xiang , Zeyuan Wang , Ming Qin , Kehua Feng , Jike Wang , Qiang Zhang , Huajun Chen

The image captioning task is typically realized by an auto-regressive method that decodes the text tokens one by one. We present a diffusion-based captioning model, dubbed the name DDCap, to allow more decoding flexibility. Unlike image…

Computer Vision and Pattern Recognition · Computer Science 2022-12-12 Zixin Zhu , Yixuan Wei , Jianfeng Wang , Zhe Gan , Zheng Zhang , Le Wang , Gang Hua , Lijuan Wang , Zicheng Liu , Han Hu

Current SMILES-based diffusion models for molecule generation typically support only unimodal constraint. They inject conditioning signals at the start of the training process and require retraining a new model from scratch whenever the…

Machine Learning · Computer Science 2025-08-21 Yunzhe Zhang , Yifei Wang , Khanh Vinh Nguyen , Pengyu Hong

Recent advances in diffusion models have spurred research into their application for Reconstruction-based unsupervised anomaly detection. However, these methods may struggle with maintaining structural integrity and recovering the…

Computer Vision and Pattern Recognition · Computer Science 2025-03-27 Farzad Beizaee , Gregory A. Lodygensky , Christian Desrosiers , Jose Dolz

Recent advancements in speech-language models have yielded significant improvements in speech tokenization and synthesis. However, effectively mapping the complex, multidimensional attributes of speech into discrete tokens remains…

In this study, we aim to enhance the capabilities of diffusion-based text-to-image (T2I) generation models by integrating diverse modalities beyond textual descriptions within a unified framework. To this end, we categorize widely used…

Computer Vision and Pattern Recognition · Computer Science 2025-08-27 Sungnyun Kim , Junsoo Lee , Kibeom Hong , Daesik Kim , Namhyuk Ahn

Diffusion models offer appealing properties for language generation, such as parallel decoding and iterative refinement, but the discrete and highly structured nature of text challenges the direct application of diffusion principles. In…

Computation and Language · Computer Science 2025-12-30 Ziqi Jin , Bin Wang , Xiang Lin , Lidong Bing , Aixin Sun

We present an novel framework for efficiently and effectively extending the powerful continuous diffusion processes to discrete modeling. Previous approaches have suffered from the discrepancy between discrete data and continuous modeling.…

Machine Learning · Computer Science 2024-10-31 Yuxuan Gu , Xiaocheng Feng , Lei Huang , Yingsheng Wu , Zekun Zhou , Weihong Zhong , Kun Zhu , Bing Qin

Tokenizer is a crucial component for both visual understanding and generation. To advance toward the ultimate goal of universal modeling, recent research has focused on developing a unified tokenizer. However, existing tokenizers face a…

Computer Vision and Pattern Recognition · Computer Science 2026-03-03 Zhengrong Yue , Haiyu Zhang , Xiangyu Zeng , Boyu Chen , Chenting Wang , Shaobin Zhuang , Lu Dong , Yi Wang , Limin Wang , Yali Wang

Nuclear Magnetic Resonance (NMR) spectroscopy is a central characterization method for molecular structure elucidation, yet interpreting NMR spectra to deduce molecular structures remains challenging due to the complexity of spectral data…

Chemical Physics · Physics 2025-07-15 Qingsong Yang , Binglan Wu , Xuwei Liu , Bo Chen , Wei Li , Gen Long , Xin Chen , Mingjun Xiao

With the rapid development of imaging sensor technology in the field of remote sensing, multi-modal remote sensing data fusion has emerged as a crucial research direction for land cover classification tasks. While diffusion models have made…

Computer Vision and Pattern Recognition · Computer Science 2024-01-08 DaiXun Li , Weiying Xie , ZiXuan Wang , YiBing Lu , Yunsong Li , Leyuan Fang

Recently, human motion analysis has experienced great improvement due to inspiring generative models such as the denoising diffusion model and large language model. While the existing approaches mainly focus on generating motions with…

Computer Vision and Pattern Recognition · Computer Science 2024-12-02 Yiming Wu , Wei Ji , Kecheng Zheng , Zicheng Wang , Dong Xu

Synthesizing high-quality tabular data is an important topic in many data science tasks, ranging from dataset augmentation to privacy protection. However, developing expressive generative models for tabular data is challenging due to its…

Machine Learning · Computer Science 2025-02-18 Juntong Shi , Minkai Xu , Harper Hua , Hengrui Zhang , Stefano Ermon , Jure Leskovec

Diffusion bridges have shown potential in paired image-to-image (I2I) translation tasks. However, existing methods are limited by their unidirectional nature, requiring separate models for forward and reverse translations. This not only…

Computer Vision and Pattern Recognition · Computer Science 2025-02-28 Duc Kieu , Kien Do , Toan Nguyen , Dang Nguyen , Thin Nguyen

We study the joint learning of image-to-text and text-to-image generations, which are naturally bi-directional tasks. Typical existing works design two separate task-specific models for each task, which impose expensive design efforts. In…

Computer Vision and Pattern Recognition · Computer Science 2021-10-20 Yupan Huang , Hongwei Xue , Bei Liu , Yutong Lu

Text-to-Image (T2I) generation methods based on diffusion model have garnered significant attention in the last few years. Although these image synthesis methods produce visually appealing results, they frequently exhibit spelling errors…

Computer Vision and Pattern Recognition · Computer Science 2023-12-27 Yiming Zhao , Zhouhui Lian