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Image generative models, particularly diffusion-based models, have surged in popularity due to their remarkable ability to synthesize highly realistic images. However, since these models are data-driven, they inherit biases from the…

Machine Learning · Computer Science 2025-03-18 Lin-Chun Huang , Ching Chieh Tsao , Fang-Yi Su , Jung-Hsien Chiang

In-context learning allows large models to adapt to new tasks from a few demonstrations, but it has shown limited success in molecular design. Existing databases such as ChEMBL contain molecular properties spanning millions of biological…

Machine Learning · Computer Science 2025-10-13 Gang Liu , Jie Chen , Yihan Zhu , Michael Sun , Tengfei Luo , Nitesh V Chawla , Meng Jiang

The intricate interplay between host organisms and their gut microbiota has catalyzed research into the microbiome's role in disease, shedding light on novel aspects of disease pathogenesis. However, the mechanisms through which the…

Methodology · Statistics 2024-02-20 Lei Fang , Yue Wang , Chenglong Ye

Structure-based drug design (SBDD) is a critical task in drug discovery, requiring the generation of molecular information across two distinct modalities: discrete molecular graphs and continuous 3D coordinates. However, existing SBDD…

Computational Engineering, Finance, and Science · Computer Science 2025-03-28 Xiuyuan Hu , Guoqing Liu , Can Chen , Yang Zhao , Hao Zhang , Xue Liu

Developing bioactive molecules remains a central, time- and cost-heavy challenge in drug discovery, particularly for novel targets lacking structural or functional data. Pharmacophore modeling presents an alternative for capturing the key…

Machine Learning · Computer Science 2025-05-16 Amira Alakhdar , Barnabas Poczos , Newell Washburn

Diffusion models have found valuable applications in anomaly detection by capturing the nominal data distribution and identifying anomalies via reconstruction. Despite their merits, they struggle to localize anomalies of varying scales,…

Computer Vision and Pattern Recognition · Computer Science 2024-06-25 Justin Tebbe , Jawad Tayyub

Weakly supervised medical image segmentation (MIS) using generative models is crucial for clinical diagnosis. However, the accuracy of the segmentation results is often limited by insufficient supervision and the complex nature of medical…

Computer Vision and Pattern Recognition · Computer Science 2024-04-26 Zhihao Shuai , Yinan Chen , Shunqiang Mao , Yihan Zho , Xiaohong Zhang

Diffusion-based generative models are extremely effective in generating high-quality images, with generated samples often surpassing the quality of those produced by other models under several metrics. One distinguishing feature of these…

Machine Learning · Computer Science 2022-10-25 Ashwini Pokle , Zhengyang Geng , Zico Kolter

Diffusion probabilistic models (DPMs) have become the state-of-the-art in high-quality image generation. However, DPMs have an arbitrary noisy latent space with no interpretable or controllable semantics. Although there has been significant…

Machine Learning · Computer Science 2024-08-27 Aneesh Komanduri , Chen Zhao , Feng Chen , Xintao Wu

Current advances in next generation sequencing techniques have allowed researchers to conduct comprehensive research on microbiome and human diseases, with recent studies identifying associations between human microbiome and health outcomes…

Methodology · Statistics 2021-06-09 Konstantin Shestopaloff , Mei Dong , Fan Gao , Wei Xu

The advances of next-generation sequencing technology have accelerated study of the microbiome and stimulated the high throughput profiling of metagenomes. The large volume of sequenced data has encouraged the rise of various studies for…

Methodology · Statistics 2019-04-30 Qiwei Li , Shuang Jiang , Andrew Y. Koh , Guanghua Xiao , Xiaowei Zhan

Oral cancer is frequently diagnosed at later stages due to its similarity to other lesions. Existing research on computer aided diagnosis has made progress using deep learning; however, most approaches remain limited by small, imbalanced…

Computer Vision and Pattern Recognition · Computer Science 2026-01-06 Joy Naoum , Revana Salama , Ali Hamdi

Pathology foundation models (PFMs) have demonstrated strong representational capabilities through self-supervised pre-training on large-scale, unannotated histopathology image datasets. However, their diverse yet opaque pretraining…

Computer Vision and Pattern Recognition · Computer Science 2025-09-15 Yuxiang Xiao , Yang Hu , Bin Li , Tianyang Zhang , Zexi Li , Huazhu Fu , Jens Rittscher , Kaixiang Yang

Magnetic Resonance Imaging (MRI) is instrumental in clinical diagnosis, offering diverse contrasts that provide comprehensive diagnostic information. However, acquiring multiple MRI contrasts is often constrained by high costs, long…

Computer Vision and Pattern Recognition · Computer Science 2024-09-04 Sanuwani Dayarathna , Kh Tohidul Islam , Bohan Zhuang , Guang Yang , Jianfei Cai , Meng Law , Zhaolin Chen

Manipulating transparent objects presents significant challenges due to the complexities introduced by their reflection and refraction properties, which considerably hinder the accurate estimation of their 3D shapes. To address these…

Computer Vision and Pattern Recognition · Computer Science 2025-03-18 Haoxiao Wang , Kaichen Zhou , Binrui Gu , Zhiyuan Feng , Weijie Wang , Peilin Sun , Yicheng Xiao , Jianhua Zhang , Hao Dong

Positron emission tomography (PET) image denoising, along with lesion and organ segmentation, are critical steps in PET-aided diagnosis. However, existing methods typically treat these tasks independently, overlooking inherent synergies…

Deep generative models have emerged as promising tools for detecting arbitrary anomalies in data, dispensing with the necessity for manual labelling. Recently, autoregressive transformers have achieved state-of-the-art performance for…

Fluorescence molecular tomography (FMT) is a sensitive optical imaging technology widely used in biomedical research. However, the ill-posedness of the inverse problem poses a huge challenge to FMT reconstruction. Although end-to-end deep…

Image and Video Processing · Electrical Eng. & Systems 2025-03-18 Peng Zhang , Qianqian Xue , Xingyu Liu , Guanglei Zhang , Wenjian Wang , Jiye Liang

With the development of deep learning, speech enhancement has been greatly optimized in terms of speech quality. Previous methods typically focus on the discriminative supervised learning or generative modeling, which tends to introduce…

Audio and Speech Processing · Electrical Eng. & Systems 2025-10-31 Nan Xu , Zhaolong Huang , Xiaonan Zhi

Although autoregressive models have dominated language modeling in recent years, there has been a growing interest in exploring alternative paradigms to the conventional next-token prediction framework. Diffusion-based language models have…

Computation and Language · Computer Science 2025-10-23 Chihan Huang , Hao Tang