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Accurate identification of protein binding sites is crucial for understanding biomolecular interaction mechanisms and for the rational design of drug targets. Traditional predictive methods often struggle to balance prediction accuracy with…

Machine Learning · Computer Science 2026-01-06 Weisen Yang , Hanqing Zhang , Wangren Qiu , Xuan Xiao , Weizhong Lin

The analysis of defects and defect dynamics in crystalline materials is important for fundamental science and for a wide range of applied engineering. With increasing system size the analysis of molecular-dynamics simulation data becomes…

Computational Physics · Physics 2020-04-20 U. von Toussaint , F. J. Dominguez-Gutierrez , M. Compostella , M. Rampp

This paper studies the sparse identification problem of unknown sparse parameter vectors in stochastic dynamic systems. Firstly, a novel sparse identification algorithm is proposed, which can generate sparse estimates based on least squares…

Optimization and Control · Mathematics 2024-04-02 Ziming Wang , Xinghua Zhu

Protein structure prediction can be shown to be an NP-hard problem; the number of conformations grows exponentially with the number of residues. The native conformations of proteins occupy a very small subset of these, hence an exploratory,…

Chemical Physics · Physics 2008-02-03 Mehul M. Khimasia , Peter V. Coveney

Anomaly detection and localization in automated industrial manufacturing can significantly enhance production efficiency and product quality. Existing methods are capable of detecting surface defects in pre-defined or controlled imaging…

Robotics · Computer Science 2025-06-23 Jiawen Yu , Jieji Ren , Yang Chang , Qiaojun Yu , Xuan Tong , Boyang Wang , Yan Song , You Li , Xinji Mai , Wenqiang Zhang

Systems exhibiting nonlinear dynamics, including but not limited to chaos, are ubiquitous across Earth Sciences such as Meteorology, Hydrology, Climate and Ecology, as well as Biology such as neural and cardiac processes. However, System…

Machine Learning · Computer Science 2020-08-14 Nishant Yadav , Sai Ravela , Auroop R. Ganguly

The tunability of physical properties in transition metal dichalcogenides (TMDCs) through point defect engineering offers significant potential for the development of next-generation optoelectronic and high-tech applications. Building upon…

Materials Science · Physics 2025-01-30 Abdalaziz Al-Maeeni , Denis Derkach , Andrey Ustyuzhanin

Photoplasticity, the light-induced change in plastic deformation, plays a pivotal role in the mechanical durability and manufacturing of semiconductor materials. Yet, its governing mechanisms remain incompletely understood, owing to the…

Materials Science · Physics 2026-03-31 Huicong Chen , Mingqiang Li , Zheyuan Ji , Yu Zou

Point defects are a universal feature of crystalline materials. Their identification is often addressed by combining experimental measurements with theoretical models. The standard approach of simulating defects is, however, prone to…

Materials Science · Physics 2023-02-20 Irea Mosquera-Lois , Seán R. Kavanagh , Aron Walsh , David O. Scanlon

Inverse problem for the identification of the parameters for large-scale systems of nonlinear ordinary differential equations (ODEs) arising in systems biology is analyzed. In a recent paper in \textit{Mathematical Biosciences, 305(2018),…

Quantitative Methods · Quantitative Biology 2020-12-07 Ugur G. Abdulla , Roby Poteau

Branch-specific substitution models are popular for detecting evolutionary change-points, such as shifts in selective pressure. However, applying such models typically requires prior knowledge of change-point locations on the phylogeny or…

Populations and Evolution · Quantitative Biology 2026-05-06 Xiang Ji , Benjamin Redelings , Shuo Su , Hongcun Bao , Wu-Min Deng , Samuel L. Hong , Guy Baele , Philippe Lemey , Marc A. Suchard

The global market for textile industry is highly competitive nowadays. Quality control in production process in textile industry has been a key factor for retaining existence in such competitive market. Automated textile inspection systems…

Neural and Evolutionary Computing · Computer Science 2012-08-31 Md. Tarek Habib , Rahat Hossain Faisal , M. Rokonuzzaman

$Q_\beta$ represents one of the most important factors characterizing unstable nuclei, as it can lead to a better understanding of nuclei behavior and the origin of heavy atoms. Recently, machine learning methods have been shown to be a…

Nuclear Theory · Physics 2023-03-29 Jose M. Munoz , Serkan Akkoyun , Zayda P. Reyes , Leonardo A. Pachon

The quality control of printed circuit boards (PCBs) is paramount in advancing electronic device technology. While numerous machine learning methodologies have been utilized to augment defect detection efficiency and accuracy, previous…

Machine Learning · Computer Science 2024-09-17 Ka Nam Canaan Law , Mingshuo Yu , Lianglei Zhang , Yiyi Zhang , Peng Xu , Jerry Gao , Jun Liu

Reconstructing unstable heavy particles requires sophisticated techniques to sift through the large number of possible permutations for assignment of detector objects to the underlying partons. Anapproach based on a generalized attention…

High Energy Physics - Experiment · Physics 2024-05-02 Michael James Fenton , Alexander Shmakov , Hideki Okawa , Yuji Li , Ko-Yang Hsiao , Shih-Chieh Hsu , Daniel Whiteson , Pierre Baldi

Geometry and topology constitute complementary descriptors of three-dimensional shape, yet existing benchmark datasets primarily capture geometric information while neglecting topological structure. This work addresses this limitation by…

Computer Vision and Pattern Recognition · Computer Science 2026-02-17 Prachi Kudeshia , Jiju Poovvancheri

Gaussian Processes (GPs) provide a powerful framework for making predictions and understanding uncertainty for classification with kernels and Bayesian non-parametric learning. Building such models typically requires strong prior knowledge…

Machine Learning · Computer Science 2024-08-16 Changze Huang , Di Wang

Atomic defects underpin the properties of van der Waals materials, and their understanding is essential for advancing quantum and energy technologies. Scanning transmission electron microscopy is a powerful tool for defect identification in…

Despite its potential for label-free particle diagnostics, holographic microscopy is limited by specialized processing methods that struggle to generalize across diverse settings. We introduce a deep learning architecture leveraging human…

Optics · Physics 2024-11-26 Shyam Kumar , Jiarong Hong

In materials science, point defects play a crucial role in materials properties. This is particularly well known for the wide band gap insulators where the defect formation/compensation determines the equilibrium Fermi level and generally…

Materials Science · Physics 2023-11-29 Harshan Reddy Gopidi , Lovelesh Vashist , Oleksandr I. Malyi