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Machine Learning (ML) and its applications have been transforming our lives but it is also creating issues related to the development of fair, accountable, transparent, and ethical Artificial Intelligence. As the ML models are not fully…

Applications · Statistics 2021-06-30 Yihuang Kang , Yi-Wen Chiu , Ming-Yen Lin , Fang-yi Su , Sheng-Tai Huang

Introduction: Artificial intelligence (AI) is exhibiting tremendous potential to reduce the massive costs and long timescales of drug discovery. There are however important challenges currently limiting the impact and scope of AI models.…

Other Quantitative Biology · Quantitative Biology 2024-09-25 Ghita Ghislat , Saiveth Hernandez-Hernandez , Chayanit Piyawajanusorn , Pedro J. Ballester

Modern therapeutic antibody design often involves composing multi-part assemblages of individual functional domains, each of which may be derived from a different source or engineered independently. While these complex formats can expand…

Machine Learning · Computer Science 2025-09-25 Jiayi Xin , Aniruddh Raghu , Nick Bhattacharya , Adam Carr , Melanie Montgomery , Hunter Elliott

Over the last decade, the long-running endeavour to automate high-level processes in machine learning (ML) has risen to mainstream prominence, stimulated by advances in optimisation techniques and their impact on selecting ML…

Machine Learning · Computer Science 2022-03-30 David Jacob Kedziora , Katarzyna Musial , Bogdan Gabrys

Machine learning has the potential to automate molecular design and drastically accelerate the discovery of new functional compounds. Towards this goal, generative models and reinforcement learning (RL) using string and graph…

Machine Learning · Computer Science 2022-02-02 Daniel Flam-Shepherd , Alexander Zhigalin , Alán Aspuru-Guzik

Machine learning (ML) is becoming increasingly crucial in many fields of engineering but has not yet played out its full potential in bioprocess engineering. While experimentation has been accelerated by increasing levels of lab automation,…

Multimodal (MM) learning is emerging as a promising paradigm in biomedical artificial intelligence (AI) applications, integrating complementary modality, which highlight different aspects of patient health. The scarcity of large…

Artificial Intelligence · Computer Science 2025-12-01 Niccolo Marini , Zhaohui Liang , Sivaramakrishnan Rajaraman , Zhiyun Xue , Sameer Antani

To generate drug molecules of desired properties with computational methods is the holy grail in pharmaceutical research. Here we describe an AI strategy, retro drug design, or RDD, to generate novel small molecule drugs from scratch to…

Biomolecules · Quantitative Biology 2021-05-12 Yuhong Wang , Sam Michael , Ruili Huang , Jinghua Zhao , Katlin Recabo , Danielle Bougie , Qiang Shu , Paul Shinn , Hongmao Sun

Heterogeneous hardware and dynamic workloads worsen long-standing OS bottlenecks in scalability, adaptability, and manageability. At the same time, advances in machine learning (ML), large language models (LLMs), and agent-based methods…

Operating Systems · Computer Science 2025-11-12 Yifan Zhang , Xinkui Zhao , Ziying Li , Guanjie Cheng , Jianwei Yin , Lufei Zhang , Zuoning Chen

Cardiovascular diseases are widespread among patients with chronic noncommunicable diseases and are one of the leading causes of death, including in the working age. The article presents the relevance of the development and application of…

Machine Learning · Computer Science 2023-08-22 T. V. Afanasieva , A. P. Kuzlyakin , A. V. Komolov

Cutaneous malignancies demand early detection for favorable outcomes, yet current diagnostics suffer from inter-observer variability and access disparities. While AI shows promise, existing dermatological systems are limited by homogeneous…

Computer Vision and Pattern Recognition · Computer Science 2025-10-09 Sher Khan , Raz Muhammad , Adil Hussain , Muhammad Sajjad , Muhammad Rashid

Decision-making related to health is complex. Machine learning (ML) and patient generated data can identify patterns and insights at the individual level, where human cognition falls short, but not all ML-generated information is of equal…

Applications · Statistics 2021-01-15 Elliot G Mitchell , Esteban G Tabak , Matthew E Levine , Lena Mamykina , David J Albers

With the advancements in computer technology, there is a rapid development of intelligent systems to understand the complex relationships in data to make predictions and classifications. Artificail Intelligence based framework is rapidly…

Machine Learning · Computer Science 2021-07-30 G Jignesh Chowdary , Suganya G , Premalatha M , Asnath Victy Phamila Y , Karunamurthy K

Large language models (LLMs) have demonstrated notable potential in medical applications, yet they face substantial challenges in handling complex real-world clinical diagnoses using conventional prompting methods. Current prompt…

Artificial Intelligence · Computer Science 2026-03-02 Wenliang Li , Rui Yan , Xu Zhang , Li Chen , Hongji Zhu , Jing Zhao , Junjun Li , Mengru Li , Wei Cao , Zihang Jiang , Wei Wei , Kun Zhang , Shaohua Kevin Zhou

For the early identification, diagnosis, and treatment of mental health illnesses, the integration of deep learning (DL) and machine learning (ML) has started playing a significant role. By evaluating complex data from imaging, genetics,…

The optimal design of compounds through manipulating properties at the molecular level is often the key to considerable scientific advances and improved process systems performance. This paper highlights key trends, challenges, and…

Biomolecules · Quantitative Biology 2020-07-13 Abdulelah S. Alshehri , Rafiqul Gani , Fengqi You

The rapid global aging trend has led to an increase in dementia cases, including Alzheimer's disease, underscoring the urgent need for early and accurate diagnostic methods. Traditional diagnostic techniques, such as cognitive tests,…

Machine Learning · Computer Science 2024-09-06 Juan A. Berrios Moya

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

Artificial intelligence (AI) raises expectations of substantial increases in rates of technological and scientific progress, but such anticipations are often not connected to detailed ground-level studies of AI use in innovation processes.…

Computers and Society · Computer Science 2025-11-21 John P. Nelson , Olajide Olugbade , Philip Shapira , Justin B. Biddle

Machine learning (ML) has shown great promise for revolutionizing a number of areas, including healthcare. However, it is also facing a reproducibility crisis, especially in medicine. ML models that are carefully constructed from and…

Machine Learning · Computer Science 2024-09-16 Rongguang Wang , Guray Erus , Pratik Chaudhari , Christos Davatzikos