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The cost of DNA sequencing has resulted in a surge of genetic data being utilised to improve scientific research, clinical procedures, and healthcare delivery in recent years. Since the human genome can uniquely identify an individual, this…

Cryptography and Security · Computer Science 2022-02-11 Sara Jafarbeiki , Raj Gaire , Amin Sakzad , Shabnam Kasra Kermanshahi , Ron Steinfeld

Drug discovery is a complex, multi-step pipeline that remains heavily dependent on manual, experience-driven operations; meanwhile, existing customized artificial intelligence tools are fragmented across web applications, desktop software,…

Biomolecules · Quantitative Biology 2026-03-03 Qihua Pan , Dong Xu , Qianwei Yang , Jenna Xinyi Yao , Sisi Yuan , Zexuan Zhu , Jianqiang Li , Junkai Ji

Scientific discovery is slowed by fragmented literature that requires excessive human effort to gather, analyze, and understand. AI tools, including autonomous summarization and question answering, have been developed to aid in…

Artificial Intelligence · Computer Science 2026-04-03 Maxwell J. Jacobson , Daniel Xie , Jackson Shen , Adil Wazeer , Haiyan Wang , Xinghang Zhang , Yexiang Xue

We study the human-in-the-loop customs inspection scenario, where an AI-assisted algorithm supports customs officers by recommending a set of imported goods to be inspected. If the inspected items are fraudulent, the officers can levy extra…

Machine Learning · Computer Science 2022-02-24 Sundong Kim , Tung-Duong Mai , Sungwon Han , Sungwon Park , Thi Nguyen Duc Khanh , Jaechan So , Karandeep Singh , Meeyoung Cha

This survey is focused on certain sequential decision-making problems that involve optimizing over probability functions. We discuss the relevance of these problems for learning and control. The survey is organized around a framework that…

Optimization and Control · Mathematics 2023-01-13 Emiland Garrabe , Giovanni Russo

Combinatorial optimization algorithm is essential in computer-aided drug design by progressively exploring chemical space to design lead compounds with high affinity to target protein. However current methods face inherent challenges in…

Biomolecules · Quantitative Biology 2025-07-23 Hao Tuo , Yan Li , Xuanning Hu , Haishi Zhao , Xueyan Liu , Bo Yang

Autonomous experimentation (AE) combines machine learning and research hardware automation in a closed loop, guiding subsequent experiments toward user goals. As applied to materials research, AE can accelerate materials exploration,…

Materials Science · Physics 2023-06-21 Felix Adams , Austin McDannald , Ichiro Takeuchi , A. Gilad Kusne

Drug repurposing (or repositioning) is the process of finding new therapeutic uses for drugs already approved by drug regulatory authorities (e.g., the Food and Drug Administration (FDA) and Therapeutic Goods Administration (TGA)) for other…

Artificial Intelligence · Computer Science 2023-06-27 Chaarvi Bansal , Rohitash Chandra , Vinti Agarwal , P. R. Deepa

Motivated by theoretical advancements in dimensionality reduction techniques we use a recent model, called Block Markov Chains, to conduct a practical study of clustering in real-world sequential data. Clustering algorithms for Block Markov…

Machine Learning · Computer Science 2022-10-05 Alexander Van Werde , Albert Senen-Cerda , Gianluca Kosmella , Jaron Sanders

In the field of sequential recommendation, deep learning (DL)-based methods have received a lot of attention in the past few years and surpassed traditional models such as Markov chain-based and factorization-based ones. However, there is…

Information Retrieval · Computer Science 2020-10-13 Hui Fang , Danning Zhang , Yiheng Shu , Guibing Guo

Pattern discovery algorithms in the music domain aim to find meaningful components in musical compositions. Over the years, although many algorithms have been developed for pattern discovery in music data, it remains a challenging task. To…

Sound · Computer Science 2020-10-26 Iris Ren , Anja Volk , Wouter Swierstra , Remco C. Veltkamp

The integration of Artificial Intelligence (AI) into the field of drug discovery has been a growing area of interdisciplinary scientific research. However, conventional AI models are heavily limited in handling complex biomedical structures…

Machine Learning · Computer Science 2024-07-25 Zhiqiang Zhong , Anastasia Barkova , Davide Mottin

As healthcare increasingly turns to AI for scalable and trustworthy clinical decision support, ensuring reliability in model reasoning remains a critical challenge. Individual large language models (LLMs) are susceptible to hallucinations…

Machine Learning · Computer Science 2025-12-05 Huascar Sanchez , Briland Hitaj , Jules Bergmann , Linda Briesemeister

The depth of knowledge offered by post-genomic medicine has carried the promise of new drugs, and cures for multiple diseases. To explore the degree to which this capability has materialized, we extract meta-data from 356,403 clinical…

Quantitative Methods · Quantitative Biology 2023-01-26 Kishore Vasan , Deisy Gysi , Albert-Laszlo Barabasi

In pattern mining, sequential rules provide a formal framework to capture the temporal relationships and inferential dependencies between items. However, the discovery process is computationally intensive. To obtain mining results…

Databases · Computer Science 2026-02-20 Wensheng Gan , Gengsen Huang , Junyu Ren , Philip S. Yu

While drug discovery is vital for human health, the process remains inefficient. Medicinal chemists must navigate a vast protein space to identify target proteins that meet three criteria: physical and functional interactions, therapeutic…

This paper systematically reviews recent advances in artificial intelligence (AI), with a particular focus on machine learning (ML), across the entire drug discovery pipeline. Due to the inherent complexity, escalating costs, prolonged…

Artificial Intelligence · Computer Science 2025-07-08 Junwei Su , Cheng Xin , Ao Shang , Shan Wu , Zhenzhen Xie , Ruogu Xiong , Xiaoyu Xu , Cheng Zhang , Guang Chen , Yau-Tuen Chan , Guoyi Tang , Ning Wang , Yong Xu , Yibin Feng

This paper presents resource-aware algorithms for distributed inter-robot loop closure detection for applications such as collaborative simultaneous localization and mapping (CSLAM) and distributed image retrieval. In real-world scenarios,…

Robotics · Computer Science 2019-07-12 Yulun Tian , Kasra Khosoussi , Jonathan P. How

Traditional drug design faces significant challenges due to inherent chemical and biological complexities, often resulting in high failure rates in clinical trials. Deep learning advancements, particularly generative models, offer potential…

Quantitative Methods · Quantitative Biology 2025-08-27 Mahsa Sheikholeslami , Navid Mazrouei , Yousof Gheisari , Afshin Fasihi , Matin Irajpour , Ali Motahharynia

The automation of the medical evidence acquisition and diagnosis process has recently attracted increasing attention in order to reduce the workload of doctors and democratize access to medical care. However, most works proposed in the…

Computation and Language · Computer Science 2022-10-14 Arsene Fansi Tchango , Rishab Goel , Julien Martel , Zhi Wen , Gaetan Marceau Caron , Joumana Ghosn