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In recent years, there has been a significant surge in malware attacks, necessitating more advanced preventive measures and remedial strategies. While several successful AI-based malware classification approaches exist categorized into…

密码学与安全 · 计算机科学 2024-04-22 Quincy Card , Daniel Simpson , Kshitiz Aryal , Maanak Gupta , Sheikh Rabiul Islam

Molecular property prediction is a fundamental task in computational chemistry with critical applications in drug discovery and materials science. While recent works have explored Large Language Models (LLMs) for this task, they primarily…

计算机视觉与模式识别 · 计算机科学 2025-07-08 Deepan Adak , Yogesh Singh Rawat , Shruti Vyas

Large Language Models (LLMs) stand at the forefront of a number of Natural Language Processing (NLP) tasks. Despite the widespread adoption of LLMs in NLP, much of their potential in broader fields remains largely unexplored, and…

机器学习 · 计算机科学 2024-03-11 Zhiqiang Zhong , Kuangyu Zhou , Davide Mottin

In this work we present a system based on a Deep Learning approach, by using a Convolutional Neural Network, capable of classifying protein chains of amino acids based on the protein description contained in the Protein Data Bank. Each…

机器学习 · 计算机科学 2021-11-04 Damiano Perri , Marco Simonetti , Andrea Lombardi , Noelia Faginas-Lago , Osvaldo Gervasi

A cross-benchmark has been done on three critical aspects, data imputing, feature selection and regression algorithms, for machine learning based chemical vapor deposition (CVD) virtual metrology (VM). The result reveals that linear feature…

机器学习 · 计算机科学 2021-07-29 Yunsong Xie , Ryan Stearrett

A fundamental goal of research in molecular biology is to understand protein structure. Protein crystallography is currently the most successful method for determining the three-dimensional (3D) conformation of a protein, yet it remains…

人工智能 · 计算机科学 2014-11-17 L. Leherte , J. Glasgow , K. Baxter , E. Steeg , S. Fortier

Flow-Imaging Microscopy (FIM) is commonly used in both academia and industry to characterize subvisible particles (those $\le 25 \mu m$ in size) in protein therapeutics. Pharmaceutical companies are required to record vast volumes of FIM…

定量方法 · 定量生物学 2017-09-04 Christopher P. Calderon , Austin L. Daniels , Theodore W. Randolph

This work investigates the ability of Vision Large Language Models (VLLMs) to understand and interpret the structure of tables in scientific articles. Specifically, we explore whether VLLMs can infer the hierarchical structure of tables…

计算与语言 · 计算机科学 2025-11-12 Luca Bindini , Simone Giovannini , Simone Marinai , Valeria Nardoni , Kimiya Noor Ali

Representation learning and \emph{de novo} generation of proteins are pivotal computational biology tasks. Whilst natural language processing (NLP) techniques have proven highly effective for protein sequence modelling, structure modelling…

定量方法 · 定量生物学 2025-01-08 Benoit Gaujac , Jérémie Donà , Liviu Copoiu , Timothy Atkinson , Thomas Pierrot , Thomas D. Barrett

Judging whether an integer can be divided by prime numbers such as 2 or 3 may appear trivial to human beings, but can be less straightforward for computers. Here, we tested multiple deep learning architectures and feature engineering…

机器学习 · 计算机科学 2023-12-27 Da Wu , Jingye Yang , Mian Umair Ahsan , Kai Wang

While RNA technologies hold immense therapeutic potential in a range of applications from vaccination to gene editing, the broad implementation of these technologies is hindered by the challenge of delivering these agents effectively. Lipid…

生物大分子 · 定量生物学 2023-08-30 Daisy Yi Ding , Yuhui Zhang , Yuan Jia , Jiuzhi Sun

Nuclei instance segmentation on histopathology images is of great clinical value for disease analysis. Generally, fully-supervised algorithms for this task require pixel-wise manual annotations, which is especially time-consuming and…

计算机视觉与模式识别 · 计算机科学 2023-06-06 Yang Zhou , Yongjian Wu , Zihua Wang , Bingzheng Wei , Maode Lai , Jianzhong Shou , Yubo Fan , Yan Xu

The intersection of medical imaging and artificial intelligence has become an important research direction in intelligent medical treatment, particularly in the analysis of medical images using deep learning for clinical diagnosis. Despite…

计算机视觉与模式识别 · 计算机科学 2025-02-18 Xiangxiang Cui , Zhongyu Li , Xiayue Fan , Peng Huang , Ying Wang , Meng Yang , Shi Chang , Jihua Zhu

Important variables of processes are often categorical, i.e. names or labels representing, e.g. categories of inputs, or types of reactors or a sequence of steps. In this work, we use Natural Language Processing Models to derive embeddings…

Accessing the thermal transport properties of glasses is a major issue for the design of production strategies of glass industry, as well as for the plethora of applications and devices where glasses are employed. From the computational…

无序系统与神经网络 · 物理学 2024-02-12 Paolo Pegolo , Federico Grasselli

Many learning algorithms such as kernel machines, nearest neighbors, clustering, or anomaly detection, are based on the concept of 'distance' or 'similarity'. Before similarities are used for training an actual machine learning model, we…

Machine-learning techniques are evolving into a subsidiary tool for studying phase transitions in many-body systems. However, most studies are tied to situations involving only one phase transition and one order parameter. Systems that…

统计力学 · 物理学 2019-03-20 Ke Liu , Jonas Greitemann , Lode Pollet

Protein-specific large language models (Protein LLMs) are revolutionizing protein science by enabling more efficient protein structure prediction, function annotation, and design. While existing surveys focus on specific aspects or…

Microbial identification is a central issue in microbiology, in particular in the fields of infectious diseases diagnosis and industrial quality control. The concept of species is tightly linked to the concept of biological and clinical…

机器学习 · 统计学 2015-06-25 Kévin Vervier , Pierre Mahé , Jean-Baptiste Veyrieras , Jean-Philippe Vert

Transposable Elements (TEs) or jumping genes are the DNA sequences that have an intrinsic capability to move within a host genome from one genomic location to another. Studies show that the presence of a TE within or adjacent to a…

机器学习 · 计算机科学 2019-08-27 Manisha Panta , Avdesh Mishra , Md Tamjidul Hoque , Joel Atallah