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Antibody therapeutics has been extensively studied in drug discovery and development within the past decades. One increasingly popular focus in the antibody discovery pipeline is the optimization step for therapeutic leads. Both traditional…

Biomolecules · Quantitative Biology 2022-08-16 Yue Kang , Dawei Leng , Jinjiang Guo , Lurong Pan

Antibiotic resistance poses a significant threat in in-patient settings with high mortality. Using MIMIC-III data, we generated Sentence-BERT embeddings from clinical notes and applied Neural Networks and XGBoost to predict antibiotic…

Computation and Language · Computer Science 2025-09-19 Mahmoud Alwakeel , Michael E. Yarrington , Rebekah H. Wrenn , Ethan Fang , Jian Pei , Anand Chowdhury , An-Kwok Ian Wong

Predicting molecule-protein interactions (MPIs) is a fundamental task in computational biology, with crucial applications in drug discovery and molecular function annotation. However, existing MPI models face two major challenges. First,…

Machine Learning · Computer Science 2025-12-11 Jiayu Qin , Zhengquan Luo , Guy Tadmor , Changyou Chen , David Zeevi , Zhiqiang Xu

The Antibiotic Resistance Microbiology Dataset (ARMD) is a de-identified resource derived from electronic health records (EHR) that facilitates research in antimicrobial resistance (AMR). ARMD encompasses big data from adult patients…

Molecular Property Prediction (MPP) plays a pivotal role across diverse domains, spanning drug discovery, material science, and environmental chemistry. Fueled by the exponential growth of chemical data and the evolution of artificial…

Machine Learning · Computer Science 2024-08-23 Tanya Liyaqat , Tanvir Ahmad , Chandni Saxena

Attack detection problems in the smart grid are posed as statistical learning problems for different attack scenarios in which the measurements are observed in batch or online settings. In this approach, machine learning algorithms are used…

Machine Learning · Computer Science 2015-03-24 Mete Ozay , Inaki Esnaola , Fatos T. Yarman Vural , Sanjeev R. Kulkarni , H. Vincent Poor

Over the past 40 years, the discovery and development of therapeutic antibodies to treat disease has become common practice. However, as therapeutic antibody constructs are becoming more sophisticated (e.g., multi-specifics), conventional…

Biomolecules · Quantitative Biology 2023-12-19 Leonard Wossnig , Norbert Furtmann , Andrew Buchanan , Sandeep Kumar , Victor Greiff

Mixed-integer linear programming (MILP) is widely employed for modeling combinatorial optimization problems. In practice, similar MILP instances with only coefficient variations are routinely solved, and machine learning (ML) algorithms are…

Optimization and Control · Mathematics 2023-03-07 Qingyu Han , Linxin Yang , Qian Chen , Xiang Zhou , Dong Zhang , Akang Wang , Ruoyu Sun , Xiaodong Luo

Though deep neural networks have achieved significant progress on various tasks, often enhanced by model ensemble, existing high-performance models can be vulnerable to adversarial attacks. Many efforts have been devoted to enhancing the…

Machine Learning · Computer Science 2019-05-30 Tianyu Pang , Kun Xu , Chao Du , Ning Chen , Jun Zhu

Artificial neural networks have been successfully used for many different classification tasks including malware detection and distinguishing between malicious and non-malicious programs. Although artificial neural networks perform very…

Machine Learning · Computer Science 2019-09-12 Robert Podschwadt , Hassan Takabi

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

Mass spectrometry provides a high-throughput approach to identify proteins in biological samples. A key step in the analysis of mass spectrometry data is to identify the peptide sequence that, most probably, gave rise to each observed…

Applications · Statistics 2013-01-14 Qunhua Li , Jimmy K. Eng , Matthew Stephens

Gene-disease associations are fundamental for understanding disease etiology and developing effective interventions and treatments. Identifying genes not yet associated with a disease due to a lack of studies is a challenging task in which…

Machine Learning · Computer Science 2023-03-08 Paola Stolfi , Andrea Mastropietro , Giuseppe Pasculli , Paolo Tieri , Davide Vergni

Adversarial attacks and defenses are currently active areas of research for the deep learning community. A recent review paper divided the defense approaches into three categories; gradient masking, robust optimization, and adversarial…

Machine Learning · Computer Science 2019-10-24 Leslie N. Smith

Deep Learning algorithms have achieved the state-of-the-art performance for Image Classification and have been used even in security-critical applications, such as biometric recognition systems and self-driving cars. However, recent works…

Computer Vision and Pattern Recognition · Computer Science 2021-11-30 Gabriel Resende Machado , Eugênio Silva , Ronaldo Ribeiro Goldschmidt

One of the biggest challenges that the farmers go through is to fight insect pests during agricultural product yields. The problem can be solved easily and avoid economic losses by taking timely preventive measures. This requires…

Computer Vision and Pattern Recognition · Computer Science 2023-10-27 Mohtasim Hadi Rafi , Mohammad Ratul Mahjabin , Md Sabbir Rahman

Recent advances in artificial intelligence (AI) and multimodal data collection are revolutionizing dermatology. Generative AI and machine learning approaches offer opportunities to enhance the diagnosis and treatment of inflammatory skin…

Other Quantitative Biology · Quantitative Biology 2025-05-15 Alice Tang , Maria Wei , Anna Haemel , Cindy La , Marina Sirota , Ernest Y. Lee

Anomaly detection is facing with emerging challenges in many important industry domains, such as cyber security and online recommendation and advertising. The recent trend in these areas calls for anomaly detection on time-evolving data…

Machine Learning · Computer Science 2019-07-16 Zheng Gao , Lin Guo , Chi Ma , Xiao Ma , Kai Sun , Hang Xiang , Xiaoqiang Zhu , Hongsong Li , Xiaozhong Liu

Therapeutic antibody candidates often require extensive engineering to improve key functional and developability properties before clinical development. This can be achieved through iterative design, where starting molecules are optimized…

Machine Learning · Computer Science 2025-09-23 Aniruddh Raghu , Sebastian Ober , Maxwell Kazman , Hunter Elliott

Advancements in artificial intelligence (AI) have transformed many scientific fields, with microbiology and microbiome research now experiencing significant breakthroughs through machine learning applications. This review provides a…

Quantitative Methods · Quantitative Biology 2025-12-19 Xu-Wen Wang , Tong Wang , Yang-Yu Liu