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In this study, we propose HOPER (HOlistic ProtEin Representation), a novel multimodal learning framework designed to enhance protein function prediction (PFP) in low-data settings. The challenge of predicting protein functions is compounded…

Biomolecules · Quantitative Biology 2024-12-18 Serbülent Ünsal , Sinem Özdemir , Bünyamin Kasap , M. Erşan Kalaycı , Kemal Turhan , Tunca Doğan , Aybar C. Acar

Identifying novel functional protein structures is at the heart of molecular engineering and molecular biology, requiring an often computationally exhaustive search. We introduce the use of a Deep Convolutional Generative Adversarial…

Biomolecules · Quantitative Biology 2021-04-20 Ethan Moyer , Jeff Winchell , Isamu Isozaki , Yigit Alparslan , Mali Halac , Edward Kim

Protein function annotation is an important yet challenging task in biology. Recent deep learning advancements show significant potential for accurate function prediction by learning from protein sequences and structures. Nevertheless,…

Biomolecules · Quantitative Biology 2024-02-14 Zuobai Zhang , Jiarui Lu , Vijil Chenthamarakshan , Aurélie Lozano , Payel Das , Jian Tang

Public repositories for genome and proteome annotations, such as the Gene Ontology (GO), rarely stores negative annotations, i.e. proteins not possessing a given function. This leaves undefined or ill defined the set of negative examples,…

Computational Engineering, Finance, and Science · Computer Science 2018-05-24 Maryam Sepehri , Marco Frasca

Diffusion-based network models are widely used for protein function prediction using protein network data and have been shown to outperform neighborhood- and module-based methods. Recent studies have shown that integrating the hierarchical…

Molecular Networks · Quantitative Biology 2016-05-24 Biaobin Jiang , Kyle Kloster , David F. Gleich , Michael Gribskov

In automatic financial feature construction task, the state-of-the-art technic leverages reverse polish expression to represent the features, then use genetic programming (GP) to conduct its evolution process. In this paper, we propose a…

Machine Learning · Computer Science 2020-10-06 Jie Fang , Shutao Xia , Jianwu Lin , Yong Jiang

Proteins are the workhorses of life and gaining insight on their functions is of paramount importance for applications such as drug design. However, the experimental validation of functions of proteins is highly-resource consuming.…

Software Engineering · Computer Science 2019-04-18 Morteza Pourreza Shahri , Madhusudan Srinivasan , Gillian Reynolds , Diane Bimczok , Indika Kahanda , Upulee Kanewala

A classification technique incorporating a novel feature derivation method is proposed for predicting failure of a system or device with multivariate time series sensor data. We treat the multivariate time series sensor data as images for…

Machine Learning · Computer Science 2021-09-22 Lanfa Frank Wang , Danjue Li

Multiple hypothesis testing is a fundamental problem in high dimensional inference, with wide applications in many scientific fields. In genome-wide association studies, tens of thousands of tests are performed simultaneously to find if any…

Methodology · Statistics 2011-11-16 Jianqing Fan , Xu Han , Weijie Gu

Due to the lack of a method to efficiently represent the multimodal information of a protein, including its structure and sequence information, predicting compound-protein binding affinity (CPA) still suffers from low accuracy when applying…

Biomolecules · Quantitative Biology 2022-11-28 Binjie Guo , Hanyu Zheng , Haohan Jiang , Xiaodan Li , Naiyu Guan , Yanming Zuo , Yicheng Zhang , Hengfu Yang , Xuhua Wang

Automatic feature recognition (AFR) on B-Rep 3D-CAD models is central to CAD/CAM automation, yet most learning-based methods are complex, data-hungry, and evaluate instance grouping and semantic labeling separately. We present FeatureFox, a…

Computational Engineering, Finance, and Science · Computer Science 2026-04-30 Bertram Fuchs , Altay Kacan , Aaron Haag , Oliver Lohse

Designing DNA and protein sequences with improved function has the potential to greatly accelerate synthetic biology. Machine learning models that accurately predict biological fitness from sequence are becoming a powerful tool for…

Machine Learning · Computer Science 2022-03-17 Johannes Linder , Georg Seelig

In the present paper a newer application of Artificial Neural Network (ANN) has been developed i.e., predicting response-function results of electrical-mechanical system through ANN. This method is specially useful to complex systems for…

Neural and Evolutionary Computing · Computer Science 2011-11-09 R. C. Gupta , Ankur Agarwal , Ruchi Gupta , Sanjay Gupta

Intrinsically disordered regions (IDRs) account for one-third of the human proteome and play essential biological roles. However, predicting the functions of IDRs remains a major challenge due to their lack of stable structures, rapid…

Biomolecules · Quantitative Biology 2025-07-04 Đesika Kolarić , Chi Fung Willis Chow , Rita Zi Zhu , Agnes Toth-Petroczy , T. Reid Alderson , Iva Pritišanac

The Absorption, Distribution, Metabolism, Elimination, and Toxicity (ADMET) properties of drug candidates are estimated to account for up to 50% of all clinical trial failures. Predicting ADMET properties has therefore been of great…

Machine Learning · Computer Science 2019-03-29 Evan N. Feinberg , Robert Sheridan , Elizabeth Joshi , Vijay S. Pande , Alan C. Cheng

Handwritten Word Recognition and Spotting is a challenging field dealing with handwritten text possessing irregular and complex shapes. The design of deep neural network models makes it necessary to extend training datasets in order to…

Computer Vision and Pattern Recognition · Computer Science 2019-02-26 Ayan Kumar Bhunia , Abhirup Das , Ankan Kumar Bhunia , Perla Sai Raj Kishore , Partha Pratim Roy

The advent of highly accurate protein structure prediction methods has fueled an exponential expansion of the protein structure database. Consequently, there is a rising demand for rapid and precise structural homolog search. Traditional…

Biomolecules · Quantitative Biology 2023-12-01 Yuan Liu , Hong-Bin Shen

Recent advances in protein function prediction exploit graph-based deep learning approaches to correlate the structural and topological features of proteins with their molecular functions. However, proteins in vivo are not static but…

Biomolecules · Quantitative Biology 2022-11-22 Yuan Chiang , Wei-Han Hui , Shu-Wei Chang

Reverse engineers would acquire valuable insights from descriptive function names, which are absent in publicly released binaries. Recent advances in binary function name prediction using data-driven machine learning show promise. However,…

Software Engineering · Computer Science 2024-05-16 Xiaoling Zhang , Zhengzi Xu , Shouguo Yang , Zhi Li , Zhiqiang Shi , Limin Sun

As protein therapeutics play an important role in almost all medical fields, numerous studies have been conducted on proteins using artificial intelligence. Artificial intelligence has enabled data driven predictions without the need for…

Quantitative Methods · Quantitative Biology 2023-03-30 Myeonghun Lee , Kyoungmin Min