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Pocket representations play a vital role in various biomedical applications, such as druggability estimation, ligand affinity prediction, and de novo drug design. While existing geometric features and pretrained representations have…

Machine Learning · Computer Science 2024-03-08 Bowen Gao , Yinjun Jia , Yuanle Mo , Yuyan Ni , Weiying Ma , Zhiming Ma , Yanyan Lan

In the past years, software reverse engineering dealt with source code understanding. Nowadays, it is levered to software requirements abstract level, supported by feature model notations, language independent, and simpler than the source…

Software Engineering · Computer Science 2019-04-30 Anas Alhamwieh , Said Ghoul

Few-Shot Medical Image Segmentation (FSMIS) has been widely used to train a model that can perform segmentation from only a few annotated images. However, most existing prototype-based FSMIS methods generate multiple prototypes from the…

Computer Vision and Pattern Recognition · Computer Science 2025-05-29 Jianchao Jiang , Haofeng Zhang

Weakly-supervised segmentation (WSS) has emerged as a solution to mitigate the conflict between annotation cost and model performance by adopting sparse annotation formats (e.g., point, scribble, block, etc.). Typical approaches attempt to…

Computer Vision and Pattern Recognition · Computer Science 2024-12-25 Y. Liu , L. Lin , K. K. Y. Wong , X. Tang

The Internet of Things (IoT) has been introduced as a breakthrough technology that integrates intelligence into everyday objects, enabling high levels of connectivity between them. As the IoT networks grow and expand, they become more…

Cryptography and Security · Computer Science 2024-06-06 Safa Ben Atitallah , Maha Driss , Wadii Boulila , Anis Koubaa

As collaborative learning allows joint training of a model using multiple sources of data, the security problem has been a central concern. Malicious users can upload poisoned data to prevent the model's convergence or inject hidden…

Cryptography and Security · Computer Science 2021-01-21 Ximing Qiao , Yuhua Bai , Siping Hu , Ang Li , Yiran Chen , Hai Li

Post-translational modifications (PTMs) form a combinatorial "code" that regulates protein function, yet deciphering this code - linking modified sites to their catalytic enzymes - remains a central unsolved problem in understanding…

Computational Engineering, Finance, and Science · Computer Science 2025-10-28 Jingjie Zhang , Hanqun Cao , Zijun Gao , Yu Wang , Shaoning Li , Jun Xu , Cheng Tan , Jun Zhu , Chang-Yu Hsieh , Chunbin Gu , Pheng Ann Heng

Functional peptides have the potential to treat a variety of diseases. Their good therapeutic efficacy and low toxicity make them ideal therapeutic agents. Artificial intelligence-based computational strategies can help quickly identify new…

Quantitative Methods · Quantitative Biology 2023-09-27 Zebin Ma , Yonglin Zou , Xiaobin Huang , Wenjin Yan , Hao Xu , Jiexin Yang , Ying Zhang , Jinqi Huang

String matching is the problem of finding all the substrings of a text which match a given pattern. It is one of the most investigated problems in computer science, mainly due to its very diverse applications in several fields. Recently,…

Data Structures and Algorithms · Computer Science 2017-07-04 Domenico Cantone , Simone Faro , Arianna Pavone

Mass spectrometry provides a high-throughput approach to identify proteins in biological samples. A key step in the analysis of mass spectrometry data is to identify the peptide sequence that, most probably, gave rise to each observed…

Applications · Statistics 2013-01-14 Qunhua Li , Jimmy K. Eng , Matthew Stephens

Pre-trained protein models (PTPMs) represent a protein with one fixed embedding and thus are not capable for diverse tasks. For example, protein structures can shift, namely protein folding, between several conformations in various…

Artificial Intelligence · Computer Science 2022-02-08 Qiang Zhang , Zeyuan Wang , Yuqiang Han , Haoran Yu , Xurui Jin , Huajun Chen

In cancer therapeutics, protein-metal binding mechanisms critically govern the pharmacokinetics and targeting efficacy of drugs, thereby fundamentally shaping the rational design of anticancer metallodrugs. While conventional laboratory…

Intrusion Detection Systems (IDSs) have played a significant role in detecting and preventing cyber-attacks within traditional computing systems. It is not surprising that the same technology is being applied to secure Internet of Things…

Cryptography and Security · Computer Science 2024-12-17 Mohammed Jouhari , Mohsen Guizani

We consider the problem of estimating the number of distinct elements in a large data set (or, equivalently, the support size of the distribution induced by the data set) from a random sample of its elements. The problem occurs in many…

Machine Learning · Computer Science 2021-06-17 Talya Eden , Piotr Indyk , Shyam Narayanan , Ronitt Rubinfeld , Sandeep Silwal , Tal Wagner

Accurately predicting protein structures from amino acid sequences remains a fundamental challenge in computational biology, with profound implications for understanding biological functions and enabling structure-based drug discovery.…

Protein structure-based property prediction has emerged as a promising approach for various biological tasks, such as protein function prediction and sub-cellular location estimation. The existing methods highly rely on experimental protein…

Machine Learning · Computer Science 2023-10-20 Yufei Huang , Siyuan Li , Jin Su , Lirong Wu , Odin Zhang , Haitao Lin , Jingqi Qi , Zihan Liu , Zhangyang Gao , Yuyang Liu , Jiangbin Zheng , Stan. ZQ. Li

Tabular biomedical data poses challenges in machine learning because it is often high-dimensional and typically low-sample-size (HDLSS). Previous research has attempted to address these challenges via local feature selection, but existing…

Machine Learning · Computer Science 2024-06-04 Xiangjian Jiang , Andrei Margeloiu , Nikola Simidjievski , Mateja Jamnik

It is commonly recognized that color variations caused by differences in stains is a critical issue for histopathology image analysis. Existing methods adopt color matching, stain separation, stain transfer or the combination of them to…

Image and Video Processing · Electrical Eng. & Systems 2022-08-09 Hai-Li Ye , Da-Han Wang

Federated learning enables multiple medical institutions to train a global model without sharing data, yet feature heterogeneity from diverse scanners or protocols remains a major challenge. Many existing works attempt to address this issue…

Computer Vision and Pattern Recognition · Computer Science 2026-01-23 Xingyue Zhao , Wenke Huang , Xingguang Wang , Haoyu Zhao , Linghao Zhuang , Anwen Jiang , Guancheng Wan , Mang Ye

We formulate low-level malware detection using algorithms based on feature matching as Order-based Malware Detection with Critical Instructions (General-OMDCI): given a pattern in the form of a sequence \(M\) of colored blocks, where each…

Computational Complexity · Computer Science 2025-04-01 Adiesha Liyanage , Braeden Sopp , Binhai Zhu