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Computational pathology relies on effective representation learning to support cancer research and precision medicine. Although self-supervised learning has driven major progress at the patch and whole-slide image levels, representation…

Computer Vision and Pattern Recognition · Computer Science 2026-03-30 Loïc Chadoutaud , Alice Blondel , Hana Feki , Jacqueline Fontugne , Emmanuel Barillot , Thomas Walter

Molecular property prediction integrates quantum chemistry, cheminformatics, and deep learning to connect molecular structure with physicochemical and biological behavior. This survey traces four complementary paradigms, including Quantum,…

Graph neural networks (GNNs) demonstrate great performance in compound property and activity prediction due to their capability to efficiently learn complex molecular graph structures. However, two main limitations persist including…

Biomolecules · Quantitative Biology 2023-10-10 Apakorn Kengkanna , Masahito Ohue

Early and accurate diagnosis of Alzheimer's disease (AD), a complex neurodegenerative disorder, requires analysis of heterogeneous biomarkers (e.g., neuroimaging, genetic risk factors, cognitive tests, and cerebrospinal fluid proteins)…

Computation and Language · Computer Science 2025-10-16 Sophie Kearney , Shu Yang , Zixuan Wen , Bojian Hou , Duy Duong-Tran , Tianlong Chen , Jason Moore , Marylyn Ritchie , Li Shen

Benefiting from the powerful expressive capability of graphs, graph-based approaches have been popularly applied to handle multi-modal medical data and achieved impressive performance in various biomedical applications. For disease…

Machine Learning · Computer Science 2022-03-14 Shuai Zheng , Zhenfeng Zhu , Zhizhe Liu , Zhenyu Guo , Yang Liu , Yuchen Yang , Yao Zhao

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

In recent years, many mammographic image analysis methods have been introduced for improving cancer classification tasks. Two major issues of mammogram classification tasks are leveraging multi-view mammographic information and…

Computer Vision and Pattern Recognition · Computer Science 2023-09-08 Thanh-Huy Nguyen , Quang Hien Kha , Thai Ngoc Toan Truong , Ba Thinh Lam , Ba Hung Ngo , Quang Vinh Dinh , Nguyen Quoc Khanh Le

Most machine learning models for molecular property prediction rely on a single molecular representation (either a sequence, a graph, or a 3D structure) and treat molecular geometry as static. We present MolFM-Lite, a multi-modal model that…

Despite the promise of foundation models in medical AI, current systems remain limited - they are modality-specific and lack transparent reasoning processes, hindering clinical adoption. To address this gap, we present EVLF-FM, a multimodal…

Concept bottleneck models (CBMs), which predict human-interpretable concepts (e.g., nucleus shapes in cell images) before predicting the final output (e.g., cell type), provide insights into the decision-making processes of the model.…

Computer Vision and Pattern Recognition · Computer Science 2024-07-10 Winnie Pang , Xueyi Ke , Satoshi Tsutsui , Bihan Wen

Early and accurate diagnosis of Alzheimer Disease is critical for effective clinical intervention, particularly in distinguishing it from Mild Cognitive Impairment, a prodromal stage marked by subtle structural changes. In this study, we…

Image and Video Processing · Electrical Eng. & Systems 2025-10-08 Fahad Mostafa , Kannon Hossain , Hafiz Khan

The early detection and nuanced subtype classification of non-small cell lung cancer (NSCLC), a predominant cause of cancer mortality worldwide, is a critical and complex issue. In this paper, we introduce an innovative integration of…

Image and Video Processing · Electrical Eng. & Systems 2024-10-08 Salma Hassan , Hamad Al Hammadi , Ibrahim Mohammed , Muhammad Haris Khan

Alzheimer's disease is characterised by the spreading of misfolded proteins and progressive structural changes in the brain. Despite significant clinical research, understanding how microscopic protein dynamics translate into macroscopic…

Computational Engineering, Finance, and Science · Computer Science 2026-03-23 A. Vazquez-Palomo , C. Betegón , J. Weickenmeier , E. Martínez-Pañeda

The rapid advancement of artificial intelligence (AI) in healthcare imaging has revolutionized diagnostic medicine and clinical decision-making processes. This work presents an intelligent multimodal framework for medical image analysis…

Image and Video Processing · Electrical Eng. & Systems 2026-04-20 Samer Al-Hamadani

Accurate prediction of molecular properties is essential in drug discovery and related fields. However, existing graph neural networks (GNNs) often struggle to simultaneously capture both local and global molecular structures. In this work,…

Machine Learning · Computer Science 2025-08-26 XiaYu Liu , Chao Fan , Yang Liu , Hou-biao Li

Computational models that forecast the progression of Alzheimer's disease at the patient level are extremely useful tools for identifying high risk cohorts for early intervention and treatment planning. The state-of-the-art work in this…

Machine Learning · Computer Science 2019-12-30 Surya Teja Devarakonda , Joie Yeahuay Wu , Yi Ren Fung , Madalina Fiterau

To achieve effective and efficient detection of Alzheimer's disease (AD), many machine learning methods have been introduced into this realm. However, the general case of limited training samples, as well as different feature…

Machine Learning · Computer Science 2013-10-04 Fayao Liu , Luping Zhou , Chunhua Shen , Jianping Yin

Machine learning models of vastly different modalities and architectures are being trained to predict the behavior of molecules, materials, and proteins. However, it remains unclear whether they learn similar internal representations of…

Machine Learning · Computer Science 2025-12-04 Sathya Edamadaka , Soojung Yang , Ju Li , Rafael Gómez-Bombarelli

Self-supervised learning has recently gained growing interest in molecular modeling for scientific tasks such as AI-assisted drug discovery. Current studies consider leveraging both 2D and 3D molecular structures for representation…

Machine Learning · Computer Science 2023-10-10 Qiying Yu , Yudi Zhang , Yuyan Ni , Shikun Feng , Yanyan Lan , Hao Zhou , Jingjing Liu

The emergence of foundation models in computational pathology has transformed histopathological image analysis, with whole slide imaging (WSI) diagnosis being a core application. Traditionally, weakly supervised fine-tuning via multiple…

Computer Vision and Pattern Recognition · Computer Science 2025-03-03 Jiawen Li , Jiali Hu , Qiehe Sun , Renao Yan , Minxi Ouyang , Tian Guan , Anjia Han , Chao He , Yonghong He