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Generative artificial intelligence (AI) technology is revolutionizing the computing industry. Not only its applications have broadened to various sectors but also poses new system design and optimization opportunities. The technology is…

The development of novel pharmaceuticals represents a significant challenge in modern science, with substantial costs and time investments. Deep generative models have emerged as promising tools for accelerating drug discovery by…

Atomic Physics · Physics 2025-05-20 Adarsh Singh

Generative AI has the potential to transform knowledge work, but further research is needed to understand how knowledge workers envision using and interacting with generative AI. We investigate the development of generative AI tools to…

Developing targeted therapies based on patients' baseline characteristics and genomic profiles such as biomarkers has gained growing interests in recent years. Depending on patients' clinical characteristics, the expression of specific…

Applications · Statistics 2019-02-26 Yanxun Xu , Florica Constantine , Yuan Yuan , Yili L. Pritchett

The field of deep generative modeling has grown rapidly in the last few years. With the availability of massive amounts of training data coupled with advances in scalable unsupervised learning paradigms, recent large-scale generative models…

Accurate diagnosis and prognosis of Alzheimer's disease are crucial to develop new therapies and reduce the associated costs. Recently, with the advances of convolutional neural networks, methods have been proposed to automate these two…

Image and Video Processing · Electrical Eng. & Systems 2022-11-29 Huy-Dung Nguyen , Michaël Clément , Boris Mansencal , Pierrick Coupé

Motivation: Many researchers with domain expertise are unable to easily apply machine learning to their bioinformatics data due to a lack of machine learning and/or coding expertise. Methods that have been proposed thus far to automate…

Machine Learning · Computer Science 2020-04-29 William La Cava , Heather Williams , Weixuan Fu , Steve Vitale , Durga Srivatsan , Jason H. Moore

Machine learning algorithms have difficulties to generalize over a small set of examples. Humans can perform such a task by exploiting vast amount of background knowledge they possess. One method for enhancing learning algorithms with…

Machine Learning · Computer Science 2020-06-09 Michal Badian , Shaul Markovitch

In the field of functional genomics, the analysis of gene expression profiles through Machine and Deep Learning is increasingly providing meaningful insight into a number of diseases. The paper proposes a novel algorithm to perform Feature…

Genomics · Quantitative Biology 2023-03-31 Carlo Adornetto , Gianluigi Greco

Autonomous systems that generate scientific hypotheses, conduct experiments, and draft manuscripts have recently emerged as a promising paradigm for accelerating discovery. However, existing AI Scientists remain largely domain-agnostic,…

Artificial Intelligence · Computer Science 2026-03-31 Hongtao Wu , Boyun Zheng , Dingjie Song , Yu Jiang , Jianfeng Gao , Lei Xing , Lichao Sun , Yixuan Yuan

Self-driving labs are transforming drug discovery by enabling automated, AI-guided experimentation, but they face challenges in orchestrating complex workflows, integrating diverse instruments and AI models, and managing data efficiently.…

Software Engineering · Computer Science 2025-04-02 Yao Fehlis , Paul Mandel , Charles Crain , Betty Liu , David Fuller

Medical image segmentation is vital for modern healthcare and is a key element of computer-aided diagnosis. While recent advancements in computer vision have explored unsupervised segmentation using pre-trained models, these methods have…

Computer Vision and Pattern Recognition · Computer Science 2025-08-07 Mosong Ma , Tania Stathaki , Michalis Lazarou

Optimizing molecular properties while preserving biological activity is a central challenge in drug design. Bioisosteric replacement, which substitutes a molecular fragment with a chemically or biologically analogous moiety, offers a…

Biomolecules · Quantitative Biology 2025-12-04 Hyeongwoo Kim , Seokhyun Moon , Wonho Zhung , Shinwoo Kim , Jaechang Lim , Woo Youn Kim

An endeavor central to precision medicine is predictive biomarker discovery; they define patient subpopulations which stand to benefit most, or least, from a given treatment. The identification of these biomarkers is often the byproduct of…

Methodology · Statistics 2022-08-01 Philippe Boileau , Nina Ting Qi , Mark J. van der Laan , Sandrine Dudoit , Ning Leng

Accurate classification of second-trimester fetal ultrasound images remains challenging due to low image quality, high intra-class variability, and significant class imbalance. In this work, we introduce a simple yet powerful, biologically…

Image and Video Processing · Electrical Eng. & Systems 2025-06-11 Rinat Prochii , Elizaveta Dakhova , Pavel Birulin , Maxim Sharaev

Biomedical named entity recognition (NER) presents unique challenges due to specialized vocabularies, the sheer volume of entities, and the continuous emergence of novel entities. Traditional NER models, constrained by fixed taxonomies and…

Computation and Language · Computer Science 2025-05-22 Anthony Yazdani , Ihor Stepanov , Douglas Teodoro

The idea of using deep-learning-based molecular generation to accelerate discovery of drug candidates has attracted extraordinary attention, and many deep generative models have been developed for automated drug design, termed molecular…

Biomolecules · Quantitative Biology 2024-05-01 Odin Zhang , Haitao Lin , Hui Zhang , Huifeng Zhao , Yufei Huang , Yuansheng Huang , Dejun Jiang , Chang-yu Hsieh , Peichen Pan , Tingjun Hou

With the rapid development of precision medicine, a large amount of health data (such as electronic health records, gene sequencing, medical images, etc.) has been produced. It encourages more and more interest in data-driven insight…

Computation and Language · Computer Science 2019-12-10 Sendong Zhao , Fei Wang

In current biological and medical research, statistical shape modeling (SSM) provides an essential framework for the characterization of anatomy/morphology. Such analysis is often driven by the identification of a relatively small number of…

Computer Vision and Pattern Recognition · Computer Science 2021-11-16 Riddhish Bhalodia , Shireen Elhabian , Ladislav Kavan , Ross Whitaker

Generative Artificial Intelligence (AI) holds immense potential in medical applications. Numerous studies have explored the efficacy of various generative AI models within healthcare contexts, but there is a lack of a comprehensive and…

Human-Computer Interaction · Computer Science 2023-12-19 Jinghong Chen , Lingxuan Zhu , Weiming Mou , Zaoqu Liu , Quan Cheng , Anqi Lin , Jian Zhang , Peng Luo
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