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The recent success of large foundation models in artificial intelligence has prompted the emergence of chemical pre-trained models. Despite the growing interest in large molecular pre-trained models that provide informative representations…

Machine Learning · Computer Science 2025-05-26 Jinho Chang , Jong Chul Ye

Foundation models have emerged as a powerful approach for processing electronic health records (EHRs), offering flexibility to handle diverse medical data modalities. In this study, we present a comprehensive benchmark that evaluates the…

Machine Learning · Computer Science 2025-07-22 Kunyu Yu , Rui Yang , Jingchi Liao , Siqi Li , Huitao Li , Irene Li , Yifan Peng , Rishikesan Kamaleswaran , Nan Liu

MiMiC is a framework for performing multiscale simulations in which loosely coupled external programs describe individual subsystems at different resolutions and levels of theory. To make it highly efficient and flexible, we adopt an…

Large language models applied to vast biological datasets have the potential to transform biology by uncovering disease mechanisms and accelerating drug development. However, current models are often siloed, trained separately on…

Multimodal clinical prediction faces three challenges: multiple foundation models (FMs) with complementary strengths per modality, pervasive missing modalities at training and test time, and sample-specific variation in modality…

Machine Learning · Computer Science 2026-05-19 Seungik Cho , Anqi Li , Wei Qiu

Effective human-AI coordination requires artificial agents capable of exhibiting and responding to human-like behaviors while adapting to changing contexts. Imitation learning has emerged as one of the prominent approaches to build such…

Artificial Intelligence · Computer Science 2026-02-25 Rakshit Trivedi , Kartik Sharma , David C Parkes

While generative models have recently become ubiquitous in many scientific areas, less attention has been paid to their evaluation. For molecular generative models, the state-of-the-art examines their output in isolation or in relation to…

Proteins are essential macromolecules defined by their amino acid sequences, which determine their three-dimensional structures and, consequently, their functions in all living organisms. Therefore, generative protein modeling necessitates…

Machine Learning · Computer Science 2024-10-18 Xinyou Wang , Zaixiang Zheng , Fei Ye , Dongyu Xue , Shujian Huang , Quanquan Gu

Structural biology relies on accurate three-dimensional biomolecular structures to advance our understanding of biological functions, disease mechanisms, and therapeutics. While recent advances in deep learning have enabled the development…

Biomolecules · Quantitative Biology 2025-04-02 Yizhen Luo , Jiashuo Wang , Siqi Fan , Zaiqing Nie

MiMiC is a framework for modeling large-scale chemical processes that require treatment at multiple resolutions. It does not aim to implement single-handedly all methods required to treat individual subsystems, but instead, it relegates…

Modeling biological sequences such as DNA, RNA, and proteins is crucial for understanding complex processes like gene regulation and protein synthesis. However, most current models either focus on a single type or treat multiple types of…

Genomics · Quantitative Biology 2024-10-16 Weixi Xiang , Xueting Han , Xiujuan Chai , Jing Bai

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

We propose a novel multimodal deep learning framework for patient-level survival prediction, which integrates whole-slide histology features, RNA-seq expression profiles, and clinical variables. Our architecture combines an ABMIL…

Quantitative Methods · Quantitative Biology 2026-05-15 Hassan Keshvarikhojasteh , Josien P. W. Pluim , Mitko Veta

Multimodal Foundation Models (MMFMs) have demonstrated strong performance in both computer vision and natural language processing tasks. However, their performance diminishes in tasks that require a high degree of integration between these…

Computer Vision and Pattern Recognition · Computer Science 2025-02-06 Franz Louis Cesista

Multiple Indicators Multiple Causes (MIMIC) models are type of structural equation models, a theory-based approach to confirm the influence of a set of exogenous causal variables on the latent variable, and also the effect of the latent…

Numerical models of electromyographic (EMG) signals have provided a huge contribution to our fundamental understanding of human neurophysiology and remain a central pillar of motor neuroscience and the development of human-machine…

Although artificial intelligence (AI) has made significant progress in understanding molecules in a wide range of fields, existing models generally acquire the single cognitive ability from the single molecular modality. Since the hierarchy…

Machine Learning · Computer Science 2022-09-14 Bing Su , Dazhao Du , Zhao Yang , Yujie Zhou , Jiangmeng Li , Anyi Rao , Hao Sun , Zhiwu Lu , Ji-Rong Wen

Existing works based on molecular knowledge neglect the 3D geometric structure of molecules and fail to learn the high-dimensional information of medications, leading to structural confusion. Additionally, it does not extract key…

Machine Learning · Computer Science 2024-11-13 Shi Mu , Chen Li , Xiang Li , Shunpan Liang

Biological sequences encode fundamental instructions for the building blocks of life, in the form of DNA, RNA, and proteins. Modeling these sequences is key to understand disease mechanisms and is an active research area in computational…

The MIMIC-IV dataset is a large, publicly available electronic health record (EHR) resource widely used for clinical machine learning research. It comprises multiple modalities, including structured data, clinical notes, waveforms, and…

Machine Learning · Computer Science 2026-01-21 Farzana Islam Adiba , Varsha Danduri , Fahmida Liza Piya , Ali Abbasi , Mehak Gupta , Rahmatollah Beheshti
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