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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…

Knotted molecules occur naturally and are designed by scientists to gain special biological and material properties. Understanding and utilizing knotting require efficient methods to recognize and generate knotted structures, which are…

Computational Physics · Physics 2025-01-23 Zhiyu Zhang , Yongjian Zhu , Liang Dai

In this paper we experiment with using neural network structures to predict a protein's secondary structure ({\alpha} helix positions) from only its primary structure (amino acid sequence). We implement a fully connected neural network…

Machine Learning · Computer Science 2022-08-25 Sidharth Malhotra , Robin Walters

Revealing how a biological network is organized to realize its function is one of the main topics in systems biology. The functional backbone network, defined as the primary structure of the biological network, is of great importance in…

Adaptation and Self-Organizing Systems · Physics 2016-12-31 Zhiwei He , Meng Zhan , Jianxiong Wang , Chenggui Yao

We present a simple yet effective method for structure prediction of two-dimensional structures. The method is based on a combination of neural networks and evolutionary techniques. It allows finding pristine 2D structures as well as…

Materials Science · Physics 2020-05-15 K. Zberecki

Deep convolutional neural networks comprise a subclass of deep neural networks (DNN) with a constrained architecture that leverages the spatial and temporal structure of the domain they model. Convolutional networks achieve the best…

Machine Learning · Computer Science 2015-10-13 Izhar Wallach , Michael Dzamba , Abraham Heifets

In this paper, we focus on learning low-dimensional embeddings for nodes in graph-structured data. To achieve this, we propose Caps2NE -- a new unsupervised embedding model leveraging a network of two capsule layers. Caps2NE induces a…

Machine Learning · Computer Science 2020-08-19 Dai Quoc Nguyen , Tu Dinh Nguyen , Dat Quoc Nguyen , Dinh Phung

Tensor network (TN) representation is a powerful technique for computer vision and machine learning. TN structure search (TN-SS) aims to search for a customized structure to achieve a compact representation, which is a challenging NP-hard…

Machine Learning · Computer Science 2024-04-15 Yu-Bang Zheng , Xi-Le Zhao , Junhua Zeng , Chao Li , Qibin Zhao , Heng-Chao Li , Ting-Zhu Huang

RNA secondary structure prediction and classification are two important problems in the field of RNA biology. Here, we propose a new permutation based approach to create logical non-disjoint clusters of different secondary structures of a…

Biomolecules · Quantitative Biology 2014-03-24 Nilay Chheda , Manish K Gupta

Due to the hierarchical organization of RNA structures and their pivotal roles in fulfilling RNA functions, the formation of RNA secondary structure critically influences many biological processes and has thus been a crucial research topic.…

Cellular phenotypes are determined by the dynamical activity of networks of co-regulated genes. Elucidating such networks is crucial for the understanding of normal cell physiology as well as for the dissection of complex pathologic…

Molecular Networks · Quantitative Biology 2007-05-23 Kai Wang , Nilanjana Banerjee , Adam Margolin , Ilya Nemenman , Katia Basso , Riccardo Favera , Andrea Califano

Continuous-time Bayesian Networks (CTBNs) represent a compact yet powerful framework for understanding multivariate time-series data. Given complete data, parameters and structure can be estimated efficiently in closed-form. However, if…

Machine Learning · Statistics 2019-11-04 Dominik Linzner , Michael Schmidt , Heinz Koeppl

We consider the approximate solution of parametric PDEs using the low-rank Tensor Train (TT) decomposition. Such parametric PDEs arise for example in uncertainty quantification problems in engineering applications. We propose an algorithm…

Numerical Analysis · Mathematics 2018-07-06 Sergey Dolgov , Robert Scheichl

In this study, we propose a novel deep learning-based method to predict an optimized structure for a given boundary condition and optimization setting without using any iterative scheme. For this purpose, first, using open-source topology…

Machine Learning · Computer Science 2018-10-30 Yonggyun Yu , Taeil Hur , Jaeho Jung , In Gwun Jang

t-SNE and hierarchical clustering are popular methods of exploratory data analysis, particularly in biology. Building on recent advances in speeding up t-SNE and obtaining finer-grained structure, we combine the two to create tree-SNE, a…

Machine Learning · Computer Science 2020-02-14 Isaac Robinson , Emma Pierce-Hoffman

Neural architecture search (NAS) has demonstrated amazing success in searching for efficient deep neural networks (DNNs) from a given supernet. In parallel, the lottery ticket hypothesis has shown that DNNs contain small subnetworks that…

Computer Vision and Pattern Recognition · Computer Science 2025-03-04 Haoran You , Baopu Li , Zhanyi Sun , Xu Ouyang , Yingyan Celine Lin

The Click-though Rate (CTR) prediction task is a basic task in recommendation system. Most of the previous researches of CTR models built based on Wide \& deep structure and gradually evolved into parallel structures with different modules.…

Machine Learning · Computer Science 2022-06-22 Ri Su , Alphonse Houssou Hounye , Cong Cao , Muzhou Hou

Conditional t-SNE (ct-SNE) is a recent extension to t-SNE that allows removal of known cluster information from the embedding, to obtain a visualization revealing structure beyond label information. This is useful, for example, when one…

Machine Learning · Computer Science 2023-04-12 Edith Heiter , Bo Kang , Ruth Seurinck , Jefrey Lijffijt

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

This paper proposes a new topology optimization method that applies a convolutional neural network (CNN), which is one deep learning technique for topology optimization problems. Using this method, we acquire a structure with a little…

Machine Learning · Computer Science 2020-01-06 Yusuke Takahashi , Yoshiro Suzuki , Akira Todoroki
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