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Antimicrobial peptides (AMPs) are promising therapeutic approaches against drug-resistant pathogens. Recently, deep generative models are used to discover new AMPs. However, previous studies mainly focus on peptide sequence attributes and…

Biomolecules · Quantitative Biology 2023-08-22 Danqing Wang , Zeyu Wen , Fei Ye , Lei Li , Hao Zhou

Feature selection in high-dimensional genomic data ($d \gg n$) demands methods that are simultaneously accurate, sparse, and stable. Existing approaches either require manual threshold specification (mRMR, stability selection), produce…

Machine Learning · Computer Science 2026-05-06 A. Yermekov , D. A. Herrera-Martí

Malware continues to be a major cyber threat, despite the tremendous effort that has been made to combat them. The number of malware in the wild steadily increases over time, meaning that we must resort to automated defense techniques. This…

Cryptography and Security · Computer Science 2020-09-17 Deqiang Li , Qianmu Li , Yanfang Ye , Shouhuai Xu

Since the mechanism of action of drug molecules in the human body is difficult to reproduce in the in vitro environment, it becomes difficult to reveal the causes of the activity cliff phenomenon of drug molecules. We found out the AC of…

Biomolecules · Quantitative Biology 2024-11-05 Kewei Li , Yuqian Wu , Yinheng Li , Yutong Guo , Yan Wang , Yiyang Liang , Yusi Fan , Lan Huang , Ruochi Zhang , Fengfeng Zhou

Deep learning models are vulnerable to adversarial examples, which poses an indisputable threat to their applications. However, recent studies observe gradient-masking defenses are self-deceiving methods if an attacker can realize this…

Machine Learning · Computer Science 2019-02-19 Yueyao Yu , Pengfei Yu , Wenye Li

For many membrane proteins the determination of their topology remains a challenge for methods like X-ray crystallography and nuclear magnetic resonance (NMR) spectroscopy. Electron paramagnetic resonance (EPR) spectroscopy has evolved as…

As a new programming paradigm, deep learning has expanded its application to many real-world problems. At the same time, deep learning based software are found to be vulnerable to adversarial attacks. Though various defense mechanisms have…

Cryptography and Security · Computer Science 2021-03-16 Zhe Zhao , Guangke Chen , Jingyi Wang , Yiwei Yang , Fu Song , Jun Sun

Predictions of certifiably robust classifiers remain constant in a neighborhood of a point, making them resilient to test-time attacks with a guarantee. In this work, we present a previously unrecognized threat to robust machine learning…

Machine Learning · Computer Science 2021-03-31 Akshay Mehra , Bhavya Kailkhura , Pin-Yu Chen , Jihun Hamm

Large language models (LLMs) demonstrate strong performance in math reasoning benchmarks, but their performance varies inconsistently across problems with varying levels of difficulty. This paper describes Adaptive Multi-Expert Reasoning…

Computation and Language · Computer Science 2026-04-14 Mohamed Ehab , Ali Hamdi

Modern language models often rely on Reinforcement Learning from Human Feedback (RLHF) to encourage safe behaviors. However, they remain vulnerable to adversarial attacks due to three key limitations: (1) the inefficiency and high cost of…

Our aim is to establish a framework where reinforcement learning (RL) of optimizing interventions retrospectively allows us a regulatory compliant pathway to prospective clinical testing of the learned policies in a clinical deployment. We…

Machine Learning · Computer Science 2020-03-20 Luchen Li , Ignacio Albert-Smet , Aldo A. Faisal

Clinical diagnosis guidelines aim at specifying the steps that may lead to a diagnosis. Inspired by guidelines, we aim to learn the optimal sequence of actions to perform in order to obtain a correct diagnosis from electronic health…

Machine Learning · Computer Science 2023-11-16 Lillian Muyama , Antoine Neuraz , Adrien Coulet

In the study of drug function and precision medicine, identifying new drug-microbe associations is crucial. However, current methods isolate association and similarity analysis of drug and microbe, lacking effective inter-view optimization…

Machine Learning · Computer Science 2025-06-24 Xin An , Ruijie Li , Qiao Ning , Shikai Guo , Hui Li , Qian Ma

Resilience of safety-critical systems is gaining importance, particularly with the increasing number of cyber and physical threats. Cyber-physical threats are becoming increasingly prevalent, as digital systems are ubiquitous in critical…

Systems and Control · Electrical Eng. & Systems 2025-01-22 Abhijeet Sahu , Venkatesh Venkataramanan , Richard Macwan

The SARS-CoV-2 pandemic has created a global race for a cure. One approach focuses on designing a novel variant of the human angiotensin-converting enzyme 2 (ACE2) that binds more tightly to the SARS-CoV-2 spike protein and diverts it from…

Class incremental learning approaches are useful as they help the model to learn new information (classes) sequentially, while also retaining the previously acquired information (classes). However, it has been shown that such approaches are…

Machine Learning · Computer Science 2023-05-01 Muhammad Umer , Robi Polikar

Matrix multiplication is the bedrock in Deep Learning inference application. When it comes to hardware acceleration on edge computing devices, matrix multiplication often takes up a great majority of the time. To achieve better performance…

Machine Learning · Computer Science 2021-10-12 Yuyang Zhang , Dik Hin Leung , Min Guo , Yijia Xiao , Haoyue Liu , Yunfei Li , Jiyuan Zhang , Guan Wang , Zhen Chen

We present a new algorithm to train a robust malware detector. Modern malware detectors rely on machine learning algorithms. Now, the adversarial objective is to devise alterations to the malware code to decrease the chance of being…

Understanding how antibiotics inhibit bacteria can help to reduce antibiotic use and hence avoid antimicrobial resistance - yet few theoretical models exist for bacterial growth inhibition by a clinically relevant antibiotic treatment…

Cell Behavior · Quantitative Biology 2017-12-06 Philip Greulich , Jakub Dolezal , Matthew Scott , Martin R. Evans , Rosalind J. Allen