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Quantitative nuclear magnetic resonance imaging (MRI) shifts more and more into the focus of clinical research. Especially determination of relaxation times without/and with contrast agents becomes the foundation of tissue characterization,…

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Molecule generation and optimization is a fundamental task in chemical domain. The rapid development of intelligent tools, especially large language models (LLMs) with powerful knowledge reserves and interactive capabilities, has provided…

Machine Learning · Computer Science 2026-02-10 Haoran Liu , Zheni Zeng , Yukun Yan , Yuxuan Chen , Yunduo Xiao

Recent advances in large language models (LLMs) have shown promising results in medical diagnosis, with some studies indicating superior performance compared to human physicians in specific scenarios. However, the diagnostic capabilities of…

Artificial Intelligence · Computer Science 2025-03-24 Zhoujian Sun , Ziyi Liu , Cheng Luo , Jiebin Chu , Zhengxing Huang

Recent advances and achievements of artificial intelligence (AI) as well as deep and graph learning models have established their usefulness in biomedical applications, especially in drug-drug interactions (DDIs). DDIs refer to a change in…

Machine learning (ML) is a promising approach for predicting small molecule properties in drug discovery. Here, we provide a comprehensive overview of various ML methods introduced for this purpose in recent years. We review a wide range of…

Biomolecules · Quantitative Biology 2023-08-25 Nikolai Schapin , Maciej Majewski , Alejandro Varela , Carlos Arroniz , Gianni De Fabritiis

Suicide is a pressing global issue, demanding urgent and effective preventive interventions. Among the various strategies in place, psychological support hotlines had proved as a potent intervention method. Approximately two million people…

Computation and Language · Computer Science 2024-09-11 Yining Chen , Jianqiang Li , Changwei Song , Qing Zhao , Yongsheng Tong , Guanghui Fu

Precise estimation of cardiac patients' current and future comorbidities is an important factor in prioritizing continuous physiological monitoring and new therapies. ML models have shown satisfactory performance in short-term mortality…

Machine Learning · Computer Science 2024-03-05 Bijan Roudini , Boshra Khajehpiri , Hamid Abrishami Moghaddam , Mohamad Forouzanfar

Mean arterial blood pressure (MAP) dynamics estimation and its automated regulation could benefit the clinical and emergency resuscitation of critical patients. In order to address the variability and complexity of the MAP response of a…

Systems and Control · Electrical Eng. & Systems 2020-07-09 Shahin Tasoujian , Saeed Salavati , Matthew Franchek , Karolos Grigoriadis

Autonomous machine learning agents have revolutionized scientific discovery, yet they remain constrained by a Generate-Execute-Feedback paradigm. Previous approaches suffer from a severe Execution Bottleneck, as hypothesis evaluation relies…

Computation and Language · Computer Science 2026-04-08 Jingsheng Zheng , Jintian Zhang , Yujie Luo , Yuren Mao , Yunjun Gao , Lun Du , Huajun Chen , Ningyu Zhang

Multimodal artificial intelligence (AI) systems have the potential to enhance clinical decision-making by interpreting various types of medical data. However, the effectiveness of these models across all medical fields is uncertain. Each…

Artificial intelligence (AI) techniques are widely applied in the life sciences. However, applying innovative AI techniques to understand and deconvolute biological complexity is hindered by the learning curve for life science scientists to…

Artificial Intelligence · Computer Science 2024-03-28 Nisha Pillai , Athish Ram Das , Moses Ayoola , Ganga Gireesan , Bindu Nanduri , Mahalingam Ramkumar

Large language models (LLMs) are increasingly used to generate labels from radiology reports to enable large-scale AI evaluation. However, label noise from LLMs can introduce bias into performance estimates, especially under varying disease…

In the past, the development of vaccines and immunotherapeutics relied heavily on trial-and-error experimentation and extensive in vivo testing, often requiring years of pre-clinical and clinical trials. Today, artificial intelligence (AI)…

Artificial Intelligence · Computer Science 2025-06-17 Elhoucine Elfatimi , Yassir Lekbach , Swayam Prakash , Lbachir BenMohamed

Deep learning-based automated contouring and treatment planning has been proven to improve the efficiency and accuracy of radiotherapy. However, conventional radiotherapy treatment planning process has the automated contouring and treatment…

Medical Physics · Physics 2024-12-02 Sangwook Kim , Aly Khalifa , Thomas G. Purdie , Chris McIntosh

Interference between pharmacological substances can cause serious medical injuries. Correctly predicting so-called drug-drug interactions (DDI) does not only reduce these cases but can also result in a reduction of drug development cost.…

Machine Learning · Computer Science 2019-08-06 Md. Rezaul Karim , Michael Cochez , Joao Bosco Jares , Mamtaz Uddin , Oya Beyan , Stefan Decker

Chemists in search of structure-property relationships face great challenges due to limited high quality, concordant datasets. Machine learning (ML) has significantly advanced predictive capabilities in chemical sciences, but these modern…

Machine Learning · Computer Science 2025-09-18 Yulia Pimonova , Michael G. Taylor , Alice Allen , Ping Yang , Nicholas Lubbers

Traditionally, yield strength prediction relies on detailed and resource-intensive microstructural characterization combined with empirical equations. However, quantifying microstructural feature length scales for novel processes like…

Materials Science · Physics 2024-12-12 Abhinav Chandraker , Sampad Barik , Nichenametla Jai Sai , Ankur Chauhan

Non-neural Machine Learning (ML) and Deep Learning (DL) models are often used to predict system failures in the context of industrial maintenance. However, only a few researches jointly assess the effect of varying the amount of past data…

Machine Learning · Computer Science 2024-05-24 Nicolò Oreste Pinciroli Vago , Francesca Forbicini , Piero Fraternali

Although Multi-Agent Reinforcement Learning (MARL) is effective for complex multi-robot tasks, it suffers from low sample efficiency and requires iterative manual reward tuning. Large Language Models (LLMs) have shown promise in…

Robotics · Computer Science 2025-06-04 Guobin Zhu , Rui Zhou , Wenkang Ji , Shiyu Zhao

Predicting mechanical properties in metal additive manufacturing (MAM) is essential for ensuring the performance and reliability of printed parts, as well as their suitability for specific applications. However, conducting experiments to…

Machine Learning · Computer Science 2024-11-01 Parand Akbari , Masoud Zamani , Amir Mostafaei
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