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The ultimate goal of drug design is to find novel compounds with desirable pharmacological properties. Designing molecules retaining particular scaffolds as the core structures of the molecules is one of the efficient ways to obtain…

Quantitative Methods · Quantitative Biology 2019-09-06 Yibo Li , Jianxing Hu , Yanxing Wang , Jielong Zhou , Liangren Zhang , Zhenming Liu

Network biology has been successfully used to help reveal complex mechanisms of disease, especially cancer. On the other hand, network biology requires in-depth knowledge to construct disease-specific networks, but our current knowledge is…

Computer Vision and Pattern Recognition · Computer Science 2018-06-18 Sungmin Rhee , Seokjun Seo , Sun Kim

Deep neural networks are revolutionizing the way complex systems are developed. However, these automatically-generated networks are opaque to humans, making it difficult to reason about them and guarantee their correctness. Here, we propose…

Artificial Intelligence · Computer Science 2020-08-11 Yuval Jacoby , Clark Barrett , Guy Katz

Motivation: As cancer researchers have come to appreciate the importance of intratumor heterogeneity, much attention has focused on the challenges of accurately profiling heterogeneity in individual patients. Experimental technologies for…

Genomics · Quantitative Biology 2018-02-07 Theodore Roman , Lu Xie , Russell Schwartz

Finding a template in a search image is an important task underlying many computer vision applications. Recent approaches perform template matching in a deep feature-space, produced by a convolutional neural network (CNN), which is found to…

Computer Vision and Pattern Recognition · Computer Science 2021-05-10 Bo Gao , M. W. Spratling

DNA methylation (DNAme) is a critical component of the epigenetic regulatory machinery and aberrations in DNAme patterns occur in many diseases, such as cancer. Mapping and understanding DNAme profiles offers considerable promise for…

Convolutional neural networks (CNNs) have constantly achieved better performance over years by introducing more complex topology, and enlarging the capacity towards deeper and wider CNNs. This makes the manual design of CNNs extremely…

Computer Vision and Pattern Recognition · Computer Science 2022-12-09 Bin Wang , Bing Xue , Mengjie Zhang

The architectures of deep neural networks (DNN) rely heavily on the underlying grid structure of variables, for instance, the lattice of pixels in an image. For general high dimensional data with variables not associated with a grid, the…

Machine Learning · Statistics 2024-08-07 Lixiang Zhang , Lin Lin , Jia Li

Motivation: Deep learning architectures have recently demonstrated their power in predicting DNA- and RNA-binding specificities. Existing methods fall into three classes: Some are based on Convolutional Neural Networks (CNNs), others use…

Machine Learning · Computer Science 2019-01-31 Ameni Trabelsi , Mohamed Chaabane , Asa Ben Hur

The combination of Deep Learning techniques and Raman spectroscopy shows great potential offering precise and prompt identification of pathogenic bacteria in clinical settings. However, the traditional closed-set classification approaches…

Quantitative Methods · Quantitative Biology 2023-10-24 Yaroslav Balytskyi , Nataliia Kalashnyk , Inna Hubenko , Alina Balytska , Kelly McNear

Decompilation aims to recover the source code form of a binary executable. It has many security applications, such as malware analysis, vulnerability detection, and code hardening. A prominent challenge in decompilation is to recover…

Software Engineering · Computer Science 2024-12-10 Xiangzhe Xu , Zhuo Zhang , Zian Su , Ziyang Huang , Shiwei Feng , Yapeng Ye , Nan Jiang , Danning Xie , Siyuan Cheng , Lin Tan , Xiangyu Zhang

The classification of genetic variants, particularly Variants of Uncertain Significance (VUS), poses a significant challenge in clinical genetics and precision medicine. Large Language Models (LLMs) have emerged as transformative tools in…

Human cancers present a significant public health challenge and require the discovery of novel drugs through translational research. Transcriptomics profiling data that describes molecular activities in tumors and cancer cell lines are…

Embedding is a useful technique to project a high-dimensional feature into a low-dimensional space, and it has many successful applications including link prediction, node classification and natural language processing. Current approaches…

Information Retrieval · Computer Science 2020-09-21 Meimei Liu , Hongxia Yang

The emerging trend of advancing generalist artificial intelligence, such as GPTv4 and Gemini, has reshaped the landscape of research (academia and industry) in machine learning and many other research areas. However, domain-specific…

Computer Vision and Pattern Recognition · Computer Science 2024-03-05 Xiaosong Wang , Xiaofan Zhang , Guotai Wang , Junjun He , Zhongyu Li , Wentao Zhu , Yi Guo , Qi Dou , Xiaoxiao Li , Dequan Wang , Liang Hong , Qicheng Lao , Tong Ruan , Yukun Zhou , Yixue Li , Jie Zhao , Kang Li , Xin Sun , Lifeng Zhu , Shaoting Zhang

Genomic foundation models have the potential to decode DNA syntax, yet face a fundamental tradeoff in their input representation. Standard fixed-vocabulary tokenizers fragment biologically meaningful motifs such as codons and regulatory…

One of the main challenges in drug discovery is to find molecules that bind specifically and strongly to their target protein while having minimal binding to other proteins. By predicting binding affinity, it is possible to identify the…

Quantum Physics · Physics 2023-01-19 L. Domingo , M. Djukic , C. Johnson , F. Borondo

Deep convolutional neural networks (CNNs) have achieved breakthrough performance in many pattern recognition tasks such as image classification. However, the development of high-quality deep models typically relies on a substantial amount…

Computer Vision and Pattern Recognition · Computer Science 2016-05-05 Mengchen Liu , Jiaxin Shi , Zhen Li , Chongxuan Li , Jun Zhu , Shixia Liu

Model-based clustering integrated with variable selection is a powerful tool for uncovering latent structures within complex data. However, its effectiveness is often hindered by challenges such as identifying relevant variables that define…

Traditional drug design faces significant challenges due to inherent chemical and biological complexities, often resulting in high failure rates in clinical trials. Deep learning advancements, particularly generative models, offer potential…

Quantitative Methods · Quantitative Biology 2025-08-27 Mahsa Sheikholeslami , Navid Mazrouei , Yousof Gheisari , Afshin Fasihi , Matin Irajpour , Ali Motahharynia
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