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We propose a two-level stochastic context-free grammar (SCFG) architecture for parametrized stochastic modeling of a family of RNA sequences, including their secondary structure. A stochastic model of this type can be used for maximum a…

Biomolecules · Quantitative Biology 2014-03-06 Robert S. Maier

Neural network architecture search provides a solution to the automatic design of network structures. However, it is difficult to search the whole network architecture directly. Although using stacked cells to search neural network…

Computer Vision and Pattern Recognition · Computer Science 2023-10-17 Juan Zou , Shenghong Wu , Yizhang Xia , Weiwei Jiang , Zeping Wu , Jinhua Zheng

Recent advances in adversarial attacks show the vulnerability of deep neural networks searched by Neural Architecture Search (NAS). Although NAS methods can find network architectures with the state-of-the-art performance, the adversarial…

Machine Learning · Computer Science 2020-11-20 Zhixiong Yue , Baijiong Lin , Xiaonan Huang , Yu Zhang

MicroRNAs (miRNAs) are endogenous small non-coding RNAs that play an important role in post-transcriptional gene regulation. However, the experimental determination of miRNA sequence and structure is both expensive and time-consuming.…

Genomics · Quantitative Biology 2021-06-30 Shyaman Jayasundara , Sandali Lokuge , Puwasuru Ihalagedara , Damayanthi Herath

The number of graph neural network (GNN) architectures has increased rapidly due to the growing adoption of graph analysis. Although we use GNNs in wide application scenarios, it is a laborious task to design/select optimal GNN…

Machine Learning · Computer Science 2025-11-05 Yuya Sasaki

The secondary structure of ribonucleic acid (RNA) is more stable and accessible in the cell than its tertiary structure, making it essential for functional prediction. Although deep learning has shown promising results in this field,…

Biomolecules · Quantitative Biology 2024-06-21 Cheng Tan , Zhangyang Gao , Hanqun Cao , Xingran Chen , Ge Wang , Lirong Wu , Jun Xia , Jiangbin Zheng , Stan Z. Li

In this paper we present a selfcontained analysis and description of the novel {\it ab initio} folding algorithm {\sf cross}, which generates the minimum free energy (mfe), 3-noncrossing, $\sigma$-canonical RNA structure. Here an RNA…

Combinatorics · Mathematics 2008-09-30 Fenix W. D. Huang , Wade W. J. Peng , Christian M. Reidys

Many existing neural architecture search (NAS) solutions rely on downstream training for architecture evaluation, which takes enormous computations. Considering that these computations bring a large carbon footprint, this paper aims to…

Machine Learning · Computer Science 2021-11-29 Jingjing Xu , Liang Zhao , Junyang Lin , Rundong Gao , Xu Sun , Hongxia Yang

Predicting the properties of a molecule from its structure is a challenging task. Recently, deep learning methods have improved the state of the art for this task because of their ability to learn useful features from the given data. By…

Machine Learning · Computer Science 2020-08-28 Shengli Jiang , Prasanna Balaprakash

Leveraging the power of a graph neural network (GNN) with message passing, we present a Monte Carlo Tree Search (MCTS) method to solve stochastic orienteering problems with chance constraints. While adhering to an assigned travel budget the…

Robotics · Computer Science 2025-08-19 Marcos Abel Zuzuárregui , Stefano Carpin

Accurate RNA secondary structure prediction is vital for understanding cellular regulation and disease mechanisms. Deep learning (DL) methods have surpassed traditional algorithms by predicting complex features like pseudoknots and…

Biomolecules · Quantitative Biology 2024-01-12 Frederic Runge , Jörg K. H. Franke , Daniel Fertmann , Frank Hutter

Graph Neural Networks (GNNs) are becoming increasingly popular for vision-based applications due to their intrinsic capacity in modeling structural and contextual relations between various parts of an image frame. On another front, the…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-07-18 Mohanad Odema , Halima Bouzidi , Hamza Ouarnoughi , Smail Niar , Mohammad Abdullah Al Faruque

Graph Neural Networks (GNNs) have been popularly used for analyzing non-Euclidean data such as social network data and biological data. Despite their success, the design of graph neural networks requires a lot of manual work and domain…

Machine Learning · Computer Science 2020-11-03 Yang Gao , Hong Yang , Peng Zhang , Chuan Zhou , Yue Hu

Neural Architecture Search (NAS) has proven effective in discovering new Convolutional Neural Network (CNN) architectures, particularly for scenarios with well-defined accuracy optimization goals. However, previous approaches often involve…

Machine Learning · Computer Science 2024-08-28 Ye Qiao , Haocheng Xu , Yifan Zhang , Sitao Huang

Neural Architecture Search (NAS) is quickly becoming the go-to approach to optimize the structure of Deep Learning (DL) models for complex tasks such as Image Classification or Object Detection. However, many other relevant applications of…

We present the first differentiable Network Architecture Search (NAS) for Graph Neural Networks (GNNs). GNNs show promising performance on a wide range of tasks, but require a large amount of architecture engineering. First, graphs are…

Machine Learning · Computer Science 2020-03-24 Yiren Zhao , Duo Wang , Xitong Gao , Robert Mullins , Pietro Lio , Mateja Jamnik

The alignment between RNA sequences and structures in foundation models (FMs) has yet to be thoroughly investigated. Existing FMs have struggled to establish sequence-structure alignment, hindering the free flow of genomic information…

Genomics · Quantitative Biology 2024-12-16 Heng Yang , Renzhi Chen , Ke Li

Generative Flow Networks (GFlowNets) treat sampling from distributions over compositional discrete spaces as a sequential decision-making problem, training a stochastic policy to construct objects step by step. Recent studies have revealed…

Machine Learning · Computer Science 2024-06-21 Nikita Morozov , Daniil Tiapkin , Sergey Samsonov , Alexey Naumov , Dmitry Vetrov

Neural architecture search (NAS) automatically finds the best task-specific neural network topology, outperforming many manual architecture designs. However, it can be prohibitively expensive as the search requires training thousands of…

Machine Learning · Computer Science 2020-12-21 Chris Zhang , Mengye Ren , Raquel Urtasun

Repetitive DNA (repeats) poses significant challenges for accurate and efficient genome assembly and sequence alignment. This is particularly true for metagenomic data, where genome dynamics such as horizontal gene transfer, gene…

Machine Learning · Computer Science 2024-02-15 Ali Azizpour , Advait Balaji , Todd J. Treangen , Santiago Segarra