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Functional peptides have the potential to treat a variety of diseases. Their good therapeutic efficacy and low toxicity make them ideal therapeutic agents. Artificial intelligence-based computational strategies can help quickly identify new…

Quantitative Methods · Quantitative Biology 2023-09-27 Zebin Ma , Yonglin Zou , Xiaobin Huang , Wenjin Yan , Hao Xu , Jiexin Yang , Ying Zhang , Jinqi Huang

Human Pose Estimation (HPE) aims at retrieving the 3D position of human joints from images or videos. We show that current 3D HPE methods suffer a lack of viewpoint equivariance, namely they tend to fail or perform poorly when dealing with…

Computer Vision and Pattern Recognition · Computer Science 2021-08-20 Nicola Garau , Niccolò Bisagno , Piotr Bródka , Nicola Conci

Transcriptional profiling on microarrays to obtain gene expressions has been used to facilitate cancer diagnosis. We propose a deep generative machine learning architecture (called DeepCancer) that learn features from unlabeled microarray…

Artificial Intelligence · Computer Science 2016-12-14 Rajendra Rana Bhat , Vivek Viswanath , Xiaolin Li

The treatment effects of medications play a key role in guiding medical prescriptions. They are usually assessed with randomized controlled trials (RCTs), which are expensive. Recently, large-scale electronic health records (EHRs) have…

Machine Learning · Statistics 2019-08-20 Linying Zhang , Yixin Wang , Anna Ostropolets , Jami J. Mulgrave , David M. Blei , George Hripcsak

Targeted protein degradation (TPD) induced by small molecules has emerged as a rapidly evolving modality in drug discovery, targeting proteins traditionally considered "undruggable". Proteolysis-targeting chimeras (PROTACs) and molecular…

Biomolecules · Quantitative Biology 2025-02-27 Fanglei Xue , Meihan Zhang , Shuqi Li , Xinyu Gao , James A. Wohlschlegel , Wenbing Huang , Yi Yang , Weixian Deng

The discovery of peptides having high biological activity is very challenging mainly because there is an enormous diversity of compounds and only a minority have the desired properties. To lower cost and reduce the time to obtain promising…

Quantitative Methods · Quantitative Biology 2014-04-11 Sébastien Giguère , François Laviolette , Mario Marchand , Denise Tremblay , Sylvain Moineau , Éric Biron , Jacques Corbeil

Selecting the right drugs for the right patients is a primary goal of precision medicine. In this manuscript, we consider the problem of cancer drug selection in a learning-to-rank framework. We have formulated the cancer drug selection…

Machine Learning · Computer Science 2025-03-25 Yicheng He , Junfeng Liu , Xia Ning

Prediction of genetic biomarkers, e.g., microsatellite instability in colorectal cancer is crucial for clinical decision making. But, two primary challenges hamper accurate prediction: (1) It is difficult to construct a pathology-aware…

Quantitative Methods · Quantitative Biology 2026-03-31 Ling Zhang , Boxiang Yun , Ting Jin , Qingli Li , Xinxing Li , Yan Wang

Melanoma is one of the ten most common cancers in the US. Early detection is crucial for survival, but often the cancer is diagnosed in the fatal stage. Deep learning has the potential to improve cancer detection rates, but its…

Computer Vision and Pattern Recognition · Computer Science 2019-05-16 Devansh Bisla , Anna Choromanska , Jennifer A. Stein , David Polsky , Russell Berman

Deep learning models are used to minimize the number of polyps that goes unnoticed by the experts and to accurately segment the detected polyps during interventions. Although state-of-the-art models are proposed, it remains a challenge to…

Image and Video Processing · Electrical Eng. & Systems 2023-03-21 Tugberk Erol , Duygu Sarikaya

1. Understanding the mechanisms underlying biological systems, and ultimately, predicting their behaviours in a changing environment requires overcoming the gap between mathematical models and experimental or observational data.…

Quantitative Methods · Quantitative Biology 2017-04-19 Philipp H Boersch-Supan , Sadie J Ryan , Leah R Johnson

Deep learning has deeply influenced protein science, enabling breakthroughs in predicting protein properties, higher-order structures, and molecular interactions. This paper introduces DeepProtein, a comprehensive and user-friendly deep…

Machine Learning · Computer Science 2025-06-17 Jiaqing Xie , Tianfan Fu

Staging of liver fibrosis is important in the diagnosis and treatment planning of patients suffering from liver diseases. Current deep learning-based methods using abdominal magnetic resonance imaging (MRI) usually take a sub-region of the…

Computer Vision and Pattern Recognition · Computer Science 2023-06-22 Zheyao Gao , Yuanye Liu , Fuping Wu , NanNan Shi , Yuxin Shi , Xiahai Zhuang

Computed tomography is widely used as an imaging tool to visualize three-dimensional structures with expressive bone-soft tissue contrast. However, CT resolution and radiation dose are tightly entangled, highlighting the importance of…

Machine learning (ML) and artificial intelligence (AI) have the remarkable ability to classify, recognize, and characterize complex patterns and trends in large data sets. Here, we adopt a subclass of machine learning methods viz., deep…

Soft Condensed Matter · Physics 2021-06-09 Debjyoti Bhattacharya , Tarak K Patra

In powder diffraction data analysis, phase identification is the process of determining the crystalline phases in a sample using its characteristic Bragg peaks. For multiphasic spectra, we must also determine the relative weight fraction of…

Machine Learning · Computer Science 2022-10-21 Patrick Hosein , Jaimie Greasley

The combination of Deep Learning techniques and Raman spectroscopy shows great potential offering precise and prompt identification of pathogenic bacteria in clinical settings. However, the traditional closed-set classification approaches…

Quantitative Methods · Quantitative Biology 2023-10-24 Yaroslav Balytskyi , Nataliia Kalashnyk , Inna Hubenko , Alina Balytska , Kelly McNear

Software debloating tools seek to improve program security and performance by removing unnecessary code, called bloat. While many techniques have been proposed, several barriers to their adoption have emerged. Namely, debloating tools are…

Software Engineering · Computer Science 2024-06-14 Michael D. Brown , Adam Meily , Brian Fairservice , Akshay Sood , Jonathan Dorn , Eric Kilmer , Ronald Eytchison

Predicting the subcellular localization of proteins is an important and challenging problem. Traditional experimental approaches are often expensive and time-consuming. Consequently, a growing number of research efforts employ a series of…

Machine Learning · Computer Science 2017-04-19 Shixiang Wan , Quan Zou

Antibiotic resistance presents a growing global health crisis, demanding new therapeutic strategies that target novel bacterial mechanisms. Recent advances in protein structure prediction and machine learning-driven molecule generation…

Biomolecules · Quantitative Biology 2025-05-22 Maximilian G. Schuh , Joshua Hesse , Stephan A. Sieber