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Materials characterization remains a significant, time-consuming undertaking. Generally speaking, spectroscopic techniques are used in conjunction with empirical and ab-initio calculations in order to elucidate structure. These experimental…

Materials Science · Physics 2014-05-15 William J. Brouwer , James D. Kubicki , Jorge O. Sofo , C. Lee Giles

After AlphaFold won the Nobel Prize, protein prediction with deep learning once again became a hot topic. We comprehensively explore advanced deep learning methods applied to protein structure prediction and design. It begins by examining…

The tertiary structures of functional RNA molecules remain difficult to decipher. A new generation of automated RNA structure prediction methods may help address these challenges but have not yet been experimentally validated. Here we apply…

Biomolecules · Quantitative Biology 2011-10-05 Wipapat Kladwang , Fang-Chieh Chou , Rhiju Das

Ab initio RNA secondary structure predictions have long dismissed helices interior to loops, so-called pseudoknots, despite their structural importance. Here, we report that many pseudoknots can be predicted through long time scales RNA…

Biological Physics · Physics 2009-11-10 A. Xayaphoummine , T. Bucher , F. Thalmann , H. Isambert

Machine learning techniques have found their way into computational chemistry as indispensable tools to accelerate atomistic simulations and materials design. In addition, machine learning approaches hold the potential to boost the…

Chemical Physics · Physics 2025-10-03 Johannes Voss

The binary neural network, largely saving the storage and computation, serves as a promising technique for deploying deep models on resource-limited devices. However, the binarization inevitably causes severe information loss, and even…

Neural and Evolutionary Computing · Computer Science 2020-04-08 Haotong Qin , Ruihao Gong , Xianglong Liu , Xiao Bai , Jingkuan Song , Nicu Sebe

Given the importance of non-coding RNAs to cellular regulatory functions and rapid growth of RNA transcripts, computational prediction of RNA tertiary structure remains highly demanded yet significantly challenging. Even for a short RNA…

Biomolecules · Quantitative Biology 2014-07-29 Liang Ding , Xingran Xue , Sal LaMarca , Mohammad Mohebbi , Abdul Samad , Russell L. Malmberg , Liming Cai

Causal structure learning refers to a process of identifying causal structures from observational data, and it can have multiple applications in biomedicine and health care. This paper provides a practical review and tutorial on scalable…

Machine Learning · Computer Science 2023-01-20 Pulakesh Upadhyaya , Kai Zhang , Can Li , Xiaoqian Jiang , Yejin Kim

Random Neural Networks (RNNs) are a class of Neural Networks (NNs) that can also be seen as a specific type of queuing network. They have been successfully used in several domains during the last 25 years, as queuing networks to analyze the…

Neural and Evolutionary Computing · Computer Science 2016-09-19 Sebastián Basterrech , Gerardo Rubino

In recent years, a specific machine learning method called deep learning has gained huge attraction, as it has obtained astonishing results in broad applications such as pattern recognition, speech recognition, computer vision, and natural…

Machine Learning · Computer Science 2018-06-26 Seyed Sajad Mousavi , Michael Schukat , Enda Howley

The detection of phase transitions is a fundamental challenge in condensed matter physics, traditionally addressed through analytical methods and direct numerical simulations. In recent years, machine learning techniques have emerged as…

Disordered Systems and Neural Networks · Physics 2025-01-14 Djenabou Bayo , Burak Çivitcioğlu , Joseph J Webb , Andreas Honecker , Rudolf A. Römer

RNA molecules are known to form complex secondary structures including pseudoknots. A systematic framework for the enumeration, classification and prediction of secondary structures is critical to determine the biological significance of…

Biomolecules · Quantitative Biology 2025-12-24 Rayan Ibrahim , Allison H. Moore

Accurate prediction of RNA properties, such as stability and interactions, is crucial for advancing our understanding of biological processes and developing RNA-based therapeutics. RNA structures can be represented as 1D sequences, 2D…

Quantitative Methods · Quantitative Biology 2025-04-22 Junjie Xu , Artem Moskalev , Tommaso Mansi , Mangal Prakash , Rui Liao

Although the neural network (NN) technique plays an important role in machine learning, understanding the mechanism of NN models and the transparency of deep learning still require more basic research. In this study, we propose a novel…

Machine Learning · Computer Science 2023-11-10 Shuyue Guan , Murray Loew

Microproteins are a newly recognized and rapidly growing class of small proteins, typically encoded by fewer than 100 to 150 codons and translated from small open reading frames (smORFs). Although research has shown that smORFs and their…

Biomolecules · Quantitative Biology 2025-11-20 Julio C. Facelli

Determining, understanding, and predicting the so-called structure-property relation is an important task in many scientific disciplines, such as chemistry, biology, meteorology, physics, engineering, and materials science. Structure refers…

Machine Learning · Computer Science 2023-11-15 Binh Duong Nguyen , Pavlo Potapenko , Aytekin Dermici , Kishan Govind , Sébastien Bompas , Stefan Sandfeld

RNA secondary structures prediction is one of the main issues in bioinformatics. It seeks to elucidate structural conserved regions within a set of RNA sequences. Unfortunately, finding an accurate conserved structure is a very hard task to…

Data Structures and Algorithms · Computer Science 2013-02-07 Abdesslem Layeb , Amira Boudra , Wissem Korichi , Salim Chikhi

An RNA sequence is a word over an alphabet on four elements $\{A,C,G,U\}$ called bases. RNA sequences fold into secondary structures where some bases match one another while others remain unpaired. Pseudoknot-free secondary structures can…

Data Structures and Algorithms · Computer Science 2018-03-28 Édouard Bonnet , Paweł Rzążewski , Florian Sikora

Machine reading comprehension (MRC), which requires a machine to answer questions based on a given context, has attracted increasing attention with the incorporation of various deep-learning techniques over the past few years. Although…

Computation and Language · Computer Science 2019-11-06 Shanshan Liu , Xin Zhang , Sheng Zhang , Hui Wang , Weiming Zhang

Neural network interpretability is a vital component for applications across a wide variety of domains. In such cases it is often useful to analyze a network which has already been trained for its specific purpose. In this work, we develop…

Machine Learning · Computer Science 2019-11-19 Lawrence Phillips , Garrett Goh , Nathan Hodas
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