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Accurate molecular property prediction is central to drug discovery, catalysis, and process design, yet real-world applications are often limited by small datasets. Molecular foundation models provide a promising direction by learning…

Machine Learning · Computer Science 2026-04-21 Karim K. Ben Hicham , Jan G. Rittig , Martin Grohe , Alexander Mitsos

Foundation models pre-trained on large-scale datasets demonstrate strong transfer learning capabilities; however, their adaptation to complex multi-label diagnostic tasks-such as comprehensive head CT finding detection-remains understudied.…

\textbf{Objective:} Alzheimer's disease (AD) is the most prevalent form of dementia worldwide, encompassing a prodromal stage known as Mild Cognitive Impairment (MCI), where patients may either progress to AD or remain stable. The objective…

Recent studies on modelling the progression of Alzheimer's disease use a single modality for their predictions while ignoring the time dimension. However, the nature of patient data is heterogeneous and time dependent which requires models…

Computers and Society · Computer Science 2021-10-19 Sofia Lahrichi , Maryem Rhanoui , Mounia Mikram , Bouchra El Asri

In this work, we propose a simple transformer-based baseline for multimodal molecular representation learning, integrating three distinct modalities: SMILES strings, 2D graph representations, and 3D conformers of molecules. A key aspect of…

Machine Learning · Computer Science 2024-10-25 Andrei Manolache , Dragos Tantaru , Mathias Niepert

The integration of diverse clinical modalities such as medical imaging and the tabular data extracted from patients' Electronic Health Records (EHRs) is a crucial aspect of modern healthcare. Integrative analysis of multiple sources can…

Computer Vision and Pattern Recognition · Computer Science 2025-04-22 Daniel Duenias , Brennan Nichyporuk , Tal Arbel , Tammy Riklin Raviv

Current methods for multimodal medical imaging based disease recognition face two major challenges. First, the prevailing "fusion after unimodal image embedding" paradigm cannot fully leverage the complementary and correlated information in…

Computer Vision and Pattern Recognition · Computer Science 2026-04-07 Qijie Wei , Hailan Lin , Xirong Li

Recent advancements in multimodal pre-training models have significantly advanced computational pathology. However, current approaches predominantly rely on visual-language models, which may impose limitations from a molecular perspective…

Computer Vision and Pattern Recognition · Computer Science 2024-12-03 Minghao Han , Dingkang Yang , Jiabei Cheng , Xukun Zhang , Linhao Qu , Zizhi Chen , Lihua Zhang

The application of machine learning algorithms to the diagnosis and analysis of Alzheimer's disease (AD) from multimodal neuroimaging data is a current research hotspot. It remains a formidable challenge to learn brain region information…

Image and Video Processing · Electrical Eng. & Systems 2022-08-11 Yongcheng Zong , Changhong Jing , Qiankun Zuo

Cancer clinics capture disease data at various scales, from genetic to organ level. Current bioinformatic methods struggle to handle the heterogeneous nature of this data, especially with missing modalities. We propose PARADIGM, a Graph…

Cell Behavior · Quantitative Biology 2024-11-22 Asim Waqas , Aakash Tripathi , Paul Stewart , Mia Naeini , Matthew B. Schabath , Ghulam Rasool

Human expertise in chemistry and biomedicine relies on contextual molecular understanding, a capability that large language models (LLMs) can extend through fine-grained alignment between molecular structures and text. Recent multimodal…

Computation and Language · Computer Science 2025-03-10 Sumin Ha , Jun Hyeong Kim , Yinhua Piao , Sun Kim

We present BioLangFusion, a simple approach for integrating pre-trained DNA, mRNA, and protein language models into unified molecular representations. Motivated by the central dogma of molecular biology (information flow from gene to…

Machine Learning · Computer Science 2025-06-11 Amina Mollaysa , Artem Moskale , Pushpak Pati , Tommaso Mansi , Mangal Prakash , Rui Liao

The clinical adoption of artificial intelligence (AI) in medical imaging requires models that are both diagnostically accurate and interpretable to clinicians. While current multimodal biomedical foundation models prioritize performance,…

Developing effective multimodal data fusion strategies has become increasingly essential for improving the predictive power of statistical machine learning methods across a wide range of applications, from autonomous driving to medical…

Machine Learning · Computer Science 2025-07-29 Ziyi Liang , Annie Qu , Babak Shahbaba

We present MMCORE, a unified framework designed for multimodal image generation and editing. MMCORE leverages a pre-trained Vision-Language Model (VLM) to predict semantic visual embeddings via learnable query tokens, which subsequently…

Computer Vision and Pattern Recognition · Computer Science 2026-04-23 Zijie Li , Yichun Shi , Jingxiang Sun , Ye Wang , Yixuan Huang , Zhiyao Guo , Xiaochen Lian , Peihao Zhu , Yu Tian , Zhonghua Zhai , Peng Wang

Fusing structural-functional images of the brain has shown great potential to analyze the deterioration of Alzheimer's disease (AD). However, it is a big challenge to effectively fuse the correlated and complementary information from…

Image and Video Processing · Electrical Eng. & Systems 2023-10-06 Qiankun Zuo , Junren Pan , Shuqiang Wang

Molecular property prediction constitutes a cornerstone of drug discovery and materials science, necessitating models capable of disentangling complex structure-property relationships across diverse molecular modalities. Existing approaches…

Machine Learning · Computer Science 2026-03-24 Long Xu , Junping Guo , Jianbo Zhao , Jianbo Lu , Yuzhong Peng

Foundation models provide robust embeddings for diverse tasks, including medical imaging. We evaluate embeddings from seven general and medical-specific foundation models (e.g., DenseNet121, BiomedCLIP, MedImageInsight, Rad-DINO,…

Alzheimer's disease (AD) is a common neurodegenerative disease among the elderly. Early prediction and timely intervention of its prodromal stage, mild cognitive impairment (MCI), can decrease the risk of advancing to AD. Combining…

Image and Video Processing · Electrical Eng. & Systems 2025-01-22 Xiangyang Hu , Xiangyu Shen , Yifei Sun , Xuhao Shan , Wenwen Min , Liyilei Su , Xiaomao Fan , Ahmed Elazab , Ruiquan Ge , Changmiao Wang , Xiaopeng Fan

Multi-omics data capture complex biomolecular interactions and provide insights into metabolism and disease. However, missing modalities hinder integrative analysis across heterogeneous omics. To address this, we present MOIRA (Multi-Omics…

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