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Artificial Intelligence predicts drug properties by encoding drug molecules, aiding in the rapid screening of candidates. Different molecular representations, such as SMILES and molecule graphs, contain complementary information for…

Machine Learning · Computer Science 2024-06-27 Muzhen Cai , Sendong Zhao , Haochun Wang , Yanrui Du , Zewen Qiang , Bing Qin , Ting Liu

Universal graph pre-training has emerged as a key paradigm in graph representation learning, offering a promising way to train encoders to learn transferable representations from unlabeled graphs and to effectively generalize across a wide…

Machine Learning · Computer Science 2026-02-27 Lianze Shan , Jitao Zhao , Dongxiao He , Yongqi Huang , Zhiyong Feng , Weixiong Zhang

Multimodal molecular representation learning, which jointly models molecular graphs and their textual descriptions, enhances predictive accuracy and interpretability by enabling more robust and reliable predictions of drug toxicity,…

Machine Learning · Computer Science 2025-10-21 Yingxu Wang , Kunyu Zhang , Jiaxin Huang , Nan Yin , Siwei Liu , Eran Segal

Missing input sequences are common in medical imaging data, posing a challenge for deep learning models reliant on complete input data. In this work, inspired by MultiMAE [2], we develop a masked autoencoder (MAE) paradigm for multi-modal,…

Computer Vision and Pattern Recognition · Computer Science 2026-02-04 Ayhan Can Erdur , Christian Beischl , Daniel Scholz , Jiazhen Pan , Benedikt Wiestler , Daniel Rueckert , Jan C Peeken

Representation learning on multi-omics data is challenging due to extreme dimensionality, modality heterogeneity, and cohort-specific batch effects. While pre-trained transformer backbones have shown broad generalization capabilities in…

Machine Learning · Computer Science 2025-11-27 Audrey Pei-Hsuan Chen

Protein modeling is an increasingly popular area of machine learning research. Semi-supervised learning has emerged as an important paradigm in protein modeling due to the high cost of acquiring supervised protein labels, but the current…

Machine Learning · Computer Science 2019-06-20 Roshan Rao , Nicholas Bhattacharya , Neil Thomas , Yan Duan , Xi Chen , John Canny , Pieter Abbeel , Yun S. Song

Based on digital pathology slice scanning technology, artificial intelligence algorithms represented by deep learning have achieved remarkable results in the field of computational pathology. Compared to other medical images, pathology…

Image and Video Processing · Electrical Eng. & Systems 2023-11-17 Hao Quan , Xingyu Li , Weixing Chen , Qun Bai , Mingchen Zou , Ruijie Yang , Tingting Zheng , Ruiqun Qi , Xinghua Gao , Xiaoyu Cui

Unpaired Medical Image Enhancement (UMIE) aims to transform a low-quality (LQ) medical image into a high-quality (HQ) one without relying on paired images for training. While most existing approaches are based on Pix2Pix/CycleGAN and are…

Image and Video Processing · Electrical Eng. & Systems 2023-07-18 Chunming He , Kai Li , Guoxia Xu , Jiangpeng Yan , Longxiang Tang , Yulun Zhang , Xiu Li , Yaowei Wang

Spatial transcriptomics aims to connect high-resolution histology images with spatially resolved gene expression. To achieve better performance on downstream tasks such as gene expression prediction, large-scale pre-training is required to…

Computer Vision and Pattern Recognition · Computer Science 2025-09-23 Jiahe Qian , Yaoyu Fang , Ziqiao Weng , Xinkun Wang , Lee A. Cooper , Bo Zhou

This paper introduces SEMISE, a novel method for representation learning in medical imaging that combines self-supervised and supervised learning. By leveraging both labeled and augmented data, SEMISE addresses the challenge of data…

Image and Video Processing · Electrical Eng. & Systems 2025-01-08 Dung T. Tran , Hung Vu , Anh Tran , Hieu Pham , Hong Nguyen , Phong Nguyen

Hyperspectral imagery provides rich spectral detail but poses unique challenges because of its high dimensionality in both spatial and spectral domains. We propose \textit{HyperspectralMAE}, a Transformer-based foundation model for…

Computer Vision and Pattern Recognition · Computer Science 2025-05-12 Wooyoung Jeong , Hyun Jae Park , Seonghun Jeong , Jong Wook Jang , Tae Hoon Lim , Dae Seoung Kim

Constructing large-scale labeled datasets for multi-modal perception model training in autonomous driving presents significant challenges. This has motivated the development of self-supervised pretraining strategies. However, existing…

Computer Vision and Pattern Recognition · Computer Science 2024-10-15 Xiaohao Xu , Ye Li , Tianyi Zhang , Jinrong Yang , Matthew Johnson-Roberson , Xiaonan Huang

Accurate extraction of molecular representations is a critical step in the drug discovery process. In recent years, significant progress has been made in molecular representation learning methods, among which multi-modal molecular…

Machine Learning · Computer Science 2025-05-13 Rong Yin , Ruyue Liu , Xiaoshuai Hao , Xingrui Zhou , Yong Liu , Can Ma , Weiping Wang

Local discriminative representation is needed in many medical image analysis tasks such as identifying sub-types of lesion or segmenting detailed components of anatomical structures. However, the commonly applied supervised representation…

Computer Vision and Pattern Recognition · Computer Science 2021-03-25 Huai Chen , Jieyu Li , Renzhen Wang , Yijie Huang , Fanrui Meng , Deyu Meng , Qing Peng , Lisheng Wang

Microscopy-based phenotypic profiling is scalable for drug discovery but lacks the mechanistic depth of transcriptomics, which remains costly and scarce. Existing multimodal approaches either use images to support other modalities or…

Computer Vision and Pattern Recognition · Computer Science 2026-04-28 Jiayuan Chen , Ruoqi Liu , Zishan Gu , Ping Zhang

Foundation models have emerged as a powerful paradigm in computational pathology (CPath), enabling scalable and generalizable analysis of histopathological images. While early developments centered on uni-modal models trained solely on…

Computer Vision and Pattern Recognition · Computer Science 2025-03-21 Dong Li , Guihong Wan , Xintao Wu , Xinyu Wu , Xiaohui Chen , Yi He , Christine G. Lian , Peter K. Sorger , Yevgeniy R. Semenov , Chen Zhao

Accurate molecular property prediction (MPP) is a critical step in modern drug development. However, the scarcity of experimental validation data poses a significant challenge to AI-driven research paradigms. Under few-shot learning…

Machine Learning · Computer Science 2025-05-20 Yifan Dai , Xuanbai Ren , Tengfei Ma , Qipeng Yan , Yiping Liu , Yuansheng Liu , Xiangxiang Zeng

Computational pathology (CPath) digitizes pathology slides into whole slide images (WSIs), enabling analysis for critical healthcare tasks such as cancer diagnosis and prognosis. However, WSIs possess extremely long sequence lengths (up to…

Computer Vision and Pattern Recognition · Computer Science 2025-12-04 Wenhao Tang , Heng Fang , Ge Wu , Xiang Li , Ming-Ming Cheng

Understanding cellular responses to stimuli is crucial for biological discovery and drug development. Transcriptomics provides interpretable, gene-level insights, while microscopy imaging offers rich predictive features but is harder to…

In this work, we study various hybrid models of entropy-based and representativeness sampling techniques in the context of active learning in medical segmentation, in particular examining the role of UMAP (Uniform Manifold Approximation and…

Computer Vision and Pattern Recognition · Computer Science 2024-05-28 H. S. Tan , Kuancheng Wang , Rafe Mcbeth
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