English
Related papers

Related papers: Diff4VS: HIV-inhibiting Molecules Generation with …

200 papers

Recent literature has effectively leveraged diffusion models trained on continuous variables as priors for solving inverse problems. Notably, discrete diffusion models with discrete latent codes have shown strong performance, particularly…

Computer Vision and Pattern Recognition · Computer Science 2025-09-22 Naoki Murata , Chieh-Hsin Lai , Yuhta Takida , Toshimitsu Uesaka , Bac Nguyen , Stefano Ermon , Yuki Mitsufuji

The class-conditional image generation based on diffusion models is renowned for generating high-quality and diverse images. However, most prior efforts focus on generating images for general categories, e.g., 1000 classes in ImageNet-1k. A…

Computer Vision and Pattern Recognition · Computer Science 2024-06-05 Ziying Pan , Kun Wang , Gang Li , Feihong He , Yongxuan Lai

Publicly available collections of drug-like molecules have grown to comprise 10s of billions of possibilities in recent history due to advances in chemical synthesis. Traditional methods for identifying "hit" molecules from a large…

Nuclei segmentation and classification is a significant process in pathology image analysis. Deep learning-based approaches have greatly contributed to the higher accuracy of this task. However, those approaches suffer from the imbalanced…

Computer Vision and Pattern Recognition · Computer Science 2023-06-27 Hyun-Jic Oh , Won-Ki Jeong

Generative methods now produce outputs nearly indistinguishable from real data but often fail to fully capture the data distribution. Unlike quality issues, diversity limitations in generative models are hard to detect visually, requiring…

Computer Vision and Pattern Recognition · Computer Science 2024-12-13 Mischa Dombrowski , Weitong Zhang , Sarah Cechnicka , Hadrien Reynaud , Bernhard Kainz

Generative virtual staining (VS) models for high-throughput screening (HTS) can provide an estimated posterior distribution of possible biological feature values for each input and cell. However, when evaluating a VS model, the true…

Machine Learning · Computer Science 2026-02-27 Samuel Tonks , Steve Hood , Ryan Musso , Ceridwen Hopely , Steve Titus , Minh Doan , Iain Styles , Alexander Krull

Diffusion models have demonstrated exceptional capabilities in image restoration, yet their application to video super-resolution (VSR) faces significant challenges in balancing fidelity with temporal consistency. Our evaluation reveals a…

Computer Vision and Pattern Recognition · Computer Science 2025-03-11 Xiaohui Li , Yihao Liu , Shuo Cao , Ziyan Chen , Shaobin Zhuang , Xiangyu Chen , Yinan He , Yi Wang , Yu Qiao

Design of new drug compounds with target properties is a key area of research in generative modeling. We present a small drug molecule design pipeline based on graph-generative models and a comparison study of two state-of-the-art graph…

Machine Learning · Computer Science 2021-02-10 Logan Ward , Jenna A. Bilbrey , Sutanay Choudhury , Neeraj Kumar , Ganesh Sivaraman

Modeling viral dynamics in HIV/AIDS studies has resulted in a deep understanding of pathogenesis of HIV infection from which novel antiviral treatment guidance and strategies have been derived. Viral dynamics models based on nonlinear…

Applications · Statistics 2010-10-08 Hua Liang , Hongyu Miao , Hulin Wu

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

Image classification is a well-studied task in computer vision, and yet it remains challenging under high-uncertainty conditions, such as when input images are corrupted or training data are limited. Conventional classification approaches…

Computer Vision and Pattern Recognition · Computer Science 2025-11-26 Omer Belhasin , Shelly Golan , Ran El-Yaniv , Michael Elad

Antibodies offer great potential for the treatment of various diseases. However, the discovery of therapeutic antibodies through traditional wet lab methods is expensive and time-consuming. The use of generative models in designing…

Diffusion Transformers (DiTs) can generate short photorealistic videos, yet directly training and sampling longer videos with full attention across the video remains computationally challenging. Alternative methods break long videos down…

Computer Vision and Pattern Recognition · Computer Science 2025-08-12 Bhishma Dedhia , David Bourgin , Krishna Kumar Singh , Yuheng Li , Yan Kang , Zhan Xu , Niraj K. Jha , Yuchen Liu

Latent Diffusion Models (LDMs) can generate high-fidelity images from noise, offering a promising approach for augmenting histopathology images for training cancer grading models. While previous works successfully generated high-fidelity…

Image and Video Processing · Electrical Eng. & Systems 2024-04-23 Man M. Ho , Elham Ghelichkhan , Yosep Chong , Yufei Zhou , Beatrice Knudsen , Tolga Tasdizen

It is estimated that approximately 15% of cancers worldwide can be linked to viral infections. The viruses that can cause or increase the risk of cancer include human papillomavirus, hepatitis B and C viruses, Epstein-Barr virus, and human…

Genomics · Quantitative Biology 2023-08-30 Shorya Consul , John Robertson , Haris Vikalo

Cervical cancer is one of the most common types of cancer found in females. It contributes to 6-29% of all cancers in women. It is caused by the Human Papilloma Virus (HPV). The 5-year survival chances of cervical cancer range from 17%-92%…

Image and Video Processing · Electrical Eng. & Systems 2022-09-27 Tamanna Sood

Although the diffusion model has achieved remarkable performance in the field of image generation, its high inference delay hinders its wide application in edge devices with scarce computing resources. Therefore, many training-free sampling…

Computer Vision and Pattern Recognition · Computer Science 2024-12-17 Weilun Feng , Chuanguang Yang , Zhulin An , Libo Huang , Boyu Diao , Fei Wang , Yongjun Xu

As the global HIV pandemic enters its fourth decade, increasing numbers of surveillance sites have been established which allows countries to look into the epidemics at a finer scale, e.g. at sub-national level. However, the epidemic models…

Applications · Statistics 2014-11-18 Le Bao , Mary Mahy , Xiaoyue Niu , Tim Brown , Peter Ghys

Infrared imaging is essential for autonomous driving and robotic operations as a supportive modality due to its reliable performance in challenging environments. Despite its popularity, the limitations of infrared cameras, such as low…

Computer Vision and Pattern Recognition · Computer Science 2025-03-04 Xingyuan Li , Zirui Wang , Yang Zou , Zhixin Chen , Jun Ma , Zhiying Jiang , Long Ma , Jinyuan Liu

Conditional diffusion models have achieved remarkable success in various generative tasks recently, but their training typically relies on large-scale datasets that inevitably contain imprecise information in conditional inputs. Such…

Machine Learning · Computer Science 2025-10-13 Dong-Dong Wu , Jiacheng Cui , Wei Wang , Zhiqiang Shen , Masashi Sugiyama