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The architecture of a neural network (NN) plays a critical role in determining its performance. However, there is no general closed-form function that maps between network structure and accuracy, making the process of architecture design…

机器学习 · 计算机科学 2025-07-29 Jinwook Hong

Accurate sleep stage classification across datasets remains challenging due to variability in EEG channel montages, sampling rates, recording environments, and subject populations. Although deep learning has shown considerable promise for…

机器学习 · 计算机科学 2026-05-11 Unaza Tallal , Shruti Kshirsagar , Ankita Shukla

Determining the different conformational states of a protein and the transition paths between them is key to fully understanding the relationship between biomolecular structure and function. This can be accomplished by sampling protein…

生物物理 · 物理学 2021-03-24 Venkata K. Ramaswamy , Chris G. Willcocks , Matteo T. Degiacomi

By folding into particular 3D structures, proteins play a key role in living beings. To learn meaningful representation from a protein structure for downstream tasks, not only the global backbone topology but the local fine-grained…

生物大分子 · 定量生物学 2025-02-05 Jiahan Li , Shitong Luo , Congyue Deng , Chaoran Cheng , Jiaqi Guan , Leonidas Guibas , Jian Peng , Jianzhu Ma

The field of protein folding research has been greatly advanced by deep learning methods, with AlphaFold2 (AF2) demonstrating exceptional performance and atomic-level precision. As co-evolution is integral to protein structure prediction,…

定量方法 · 定量生物学 2023-06-06 Le Zhang , Jiayang Chen , Tao Shen , Yu Li , Siqi Sun

Predicting ATP-Protein Binding sites in genes is of great significance in the field of Biology and Medicine. The majority of research in this field has been conducted through time- and resource-intensive 'wet experiments' in laboratories.…

生物大分子 · 定量生物学 2024-02-06 Shreyas V , Swati Agarwal

Graphs as a type of data structure have recently attracted significant attention. Representation learning of geometric graphs has achieved great success in many fields including molecular, social, and financial networks. It is natural to…

机器学习 · 计算机科学 2021-07-08 Tian Xia , Wei-Shinn Ku

Predicting protein structure from the amino acid sequence has been a challenge with theoretical and practical significance in biophysics. Despite the recent progresses elicited by improved residue-residue contact prediction, contact-based…

生物大分子 · 定量生物学 2019-12-19 Wenze Ding , Haipeng Gong

Graph neural networks (GNNs) have emerged as powerful tools for learning protein structures by capturing spatial relationships at the residue level. However, existing GNN-based methods often face challenges in learning multiscale…

机器学习 · 计算机科学 2026-02-03 Shih-Hsin Wang , Yuhao Huang , Taos Transue , Justin Baker , Jonathan Forstater , Thomas Strohmer , Bao Wang

Accurate classification of fine-grained images remains a challenge in backbones based on convolutional operations or self-attention mechanisms. This study proposes novel dual-current neural networks (DCNN), which combine the advantages of…

计算机视觉与模式识别 · 计算机科学 2024-05-08 Da Fu , Mingfei Rong , Eun-Hu Kim , Hao Huang , Witold Pedrycz

Biological data including gene expression data are generally high-dimensional and require efficient, generalizable, and scalable machine-learning methods to discover their complex nonlinear patterns. The recent advances in machine learning…

机器学习 · 计算机科学 2020-12-21 Dinesh Singh , Héctor Climente-González , Mathis Petrovich , Eiryo Kawakami , Makoto Yamada

Multiple Sequence Alignment (MSA) plays a pivotal role in unveiling the evolutionary trajectories of protein families. The accuracy of protein structure predictions is often compromised for protein sequences that lack sufficient homologous…

生物大分子 · 定量生物学 2024-10-29 Bo Chen , Zhilei Bei , Xingyi Cheng , Pan Li , Jie Tang , Le Song

Accurate Quality of Service (QoS) prediction is essential for enhancing user satisfaction in web recommendation systems, yet existing prediction models often overlook feature noise, focusing predominantly on label noise. In this paper, we…

软件工程 · 计算机科学 2024-11-11 Ziliang Wang , Xiaohong Zhang , Ze Shi Li , Sheng Huang , Meng Yan

The biological function of a protein stems from its 3-dimensional structure, which is thermodynamically determined by the energetics of interatomic forces between its amino acid building blocks (the order of amino acids, known as the…

生物大分子 · 定量生物学 2019-05-03 Sean Mullane , Ruoyan Chen , Sri Vaishnavi Vemulapalli , Eli J. Draizen , Ke Wang , Cameron Mura , Philip E. Bourne

Deep Neural Networks (DNNs) require highly efficient matrix multiplication engines for complex computations. This paper presents a systolic array architecture incorporating novel exact and approximate processing elements (PEs), designed…

硬件体系结构 · 计算机科学 2026-03-24 Pragun Jaswal , L. Hemanth Krishna , B. Srinivasu

As a result of the growing size of Deep Neural Networks (DNNs), the gap to hardware capabilities in terms of memory and compute increases. To effectively compress DNNs, quantization and connection pruning are usually considered. However,…

机器学习 · 计算机科学 2019-06-13 Guenther Schindler , Wolfgang Roth , Franz Pernkopf , Holger Froening

The deep Convolutional Neural Network (CNN) is the state-of-the-art solution for large-scale visual recognition. Following basic principles such as increasing the depth and constructing highway connections, researchers have manually…

计算机视觉与模式识别 · 计算机科学 2017-03-07 Lingxi Xie , Alan Yuille

Despite the rapid progress of neuromorphic computing, inadequate capacity and insufficient representation power of spiking neural networks (SNNs) severely restrict their application scope in practice. Residual learning and shortcuts have…

神经与进化计算 · 计算机科学 2023-03-13 Yifan Hu , Lei Deng , Yujie Wu , Man Yao , Guoqi Li

As high-throughput biological sequencing becomes faster and cheaper, the need to extract useful information from sequencing becomes ever more paramount, often limited by low-throughput experimental characterizations. For proteins, accurate…

定量方法 · 定量生物学 2017-01-31 Xueliang Liu

Structure-based virtual screening (SBVS) is a key computational strategy for identifying potential drug candidates by estimating the binding free energies (delta G_bind) of protein-ligand complexes. The immense size of chemical libraries,…

量子物理 · 物理学 2025-07-15 Pei-Kun Yang
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