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Understanding and modeling enzyme-substrate interactions is crucial for catalytic mechanism research, enzyme engineering, and metabolic engineering. Although a large number of predictive methods have emerged, they do not incorporate prior…

Biomolecules · Quantitative Biology 2025-06-24 Zhiwei Nie , Hongyu Zhang , Hao Jiang , Yutian Liu , Xiansong Huang , Fan Xu , Jie Fu , Zhixiang Ren , Yonghong Tian , Wen-Bin Zhang , Jie Chen

Next-generation lithium-ion batteries with silicon anodes have positive characteristics due to higher energy densities compared to state-of-the-art graphite anodes. However, the large volume expansion of silicon anodes can cause high…

Numerical Analysis · Mathematics 2024-04-03 R. Schoof , G. F. Castelli , W. Dörfler

Change Detection (CD) is an essential field in remote sensing, with a primary focus on identifying areas of change in bi-temporal image pairs captured at varying intervals of the same region by a satellite. The data annotation process for…

Computer Vision and Pattern Recognition · Computer Science 2025-03-18 Ran Lingyan , Wen Dongcheng , Zhuo Tao , Zhang Shizhou , Zhang Xiuwei , Zhang Yanning

Highly accurate simulations of complex phenomena governed by partial differential equations (PDEs) typically require intrusive methods and entail expensive computational costs, which might become prohibitive when approximating steady-state…

Machine Learning · Computer Science 2023-05-17 Paolo Conti , Giorgio Gobat , Stefania Fresca , Andrea Manzoni , Attilio Frangi

Fast-charging of lithium-ion batteries is essential for electric vehicle adoption, but aggressive charging can accelerate its degradation and create safety risks. This study investigates a control framework that coordinates charging current…

Systems and Control · Electrical Eng. & Systems 2026-05-26 Frederic Fabry , Alessio Lodge , Robinson Medina , Feye Hoekstra , Steven Wilkins , Madalin Frunzete

Optimizing charging protocols is critical for reducing battery charging time and decelerating battery degradation in applications such as electric vehicles. Recently, reinforcement learning (RL) methods have been adopted for such purposes.…

Systems and Control · Electrical Eng. & Systems 2024-06-19 Myisha A. Chowdhury , Saif S. S. Al-Wahaibi , Qiugang Lu

Although the governing equations of many systems, when derived from first principles, may be viewed as known, it is often too expensive to numerically simulate all the interactions they describe. Therefore researchers often seek simpler…

Computation · Statistics 2021-05-03 Tapio Schneider , Andrew M. Stuart , Jin-Long Wu

Validating interpretable surrogate models for ensemble learners requires measuring agreement between the ensemble's internal representation and its surrogate approximation, rather than mere association. Correlation-based approaches are…

Machine Learning · Computer Science 2026-05-20 Massimo Aria , Agostino Gnasso , Carmela Iorio

Weather forecasting is fundamentally challenged by the chaotic nature of the atmosphere, necessitating probabilistic approaches to quantify uncertainty. While traditional ensemble prediction (EPS) addresses this through computationally…

Machine Learning · Computer Science 2025-11-19 Xinlei Xiong , Wenbo Hu , Shuxun Zhou , Kaifeng Bi , Lingxi Xie , Ying Liu , Richang Hong , Qi Tian

We address unsupervised dependency parsing by building an ensemble of diverse existing models through post hoc aggregation of their output dependency parse structures. We observe that these ensembles often suffer from low robustness against…

Computation and Language · Computer Science 2025-04-22 Behzad Shayegh , Hobie H. -B. Lee , Xiaodan Zhu , Jackie Chi Kit Cheung , Lili Mou

The additive partially linear model (APLM) combines the flexibility of nonparametric regression with the parsimony of regression models, and has been widely used as a popular tool in multivariate nonparametric regression to alleviate the…

Methodology · Statistics 2019-03-19 Xinyi Li , Li Wang , Dan Nettleton

This study proposes an Ensemble Differential Evolution with Simula-tion-Based Hybridization and Self-Adaptation (EDESH-SA) approach for inven-tory management (IM) under uncertainty. In this study, DE with multiple runs is combined with a…

Optimization and Control · Mathematics 2023-10-16 Sarit Maitra , Vivek Mishra , Sukanya Kundu

The Sparse Identification of Nonlinear Dynamics (SINDy) is a method for discovering nonlinear dynamical system models from data. Quantifying uncertainty in SINDy models is essential for assessing their reliability, particularly in…

Machine Learning · Computer Science 2025-07-17 Urban Fasel

Electrochemical Impedance Spectroscopy (EIS) and Equivalent Circuit Models (ECMs) are widely used to characterize the impedance and estimate parameters of electrochemical systems such as batteries. We use a generic ECM with ten parameters…

Systems and Control · Electrical Eng. & Systems 2024-03-18 Vladimir Sovljanski , Mario Paolone

An adaptive scheme to generate reduced-order models for parametric nonlinear dynamical systems is proposed. It aims to automatize the POD-Greedy algorithm combined with empirical interpolation. At each iteration, it is able to adaptively…

Numerical Analysis · Mathematics 2021-10-13 Sridhar Chellappa , Lihong Feng , Peter Benner

We propose machine learning (ML) models to predict the electron density -- the fundamental unknown of a material's ground state -- across the composition space of concentrated alloys. From this, other physical properties can be inferred,…

Solid-state electrolytes (SSEs) are attractive for next-generation lithium-ion batteries due to improved safety and stability but their low room-temperature ionic conductivity hinders practical application. Experimental synthesis and…

Materials Science · Physics 2026-03-31 Haewon Kim , Taekgi Lee , Seongeun Hong , Kyeong-Ho Kim , Yongchul G. Chung

We propose a hybrid meta-learning framework for forecasting and anomaly detection in nonlinear dynamical systems characterized by nonstationary and stochastic behavior. The approach integrates a physics-inspired simulator that captures…

Machine Learning · Computer Science 2025-06-18 Abdullah Burkan Bereketoglu

Reduced Order Models (ROMs) are of considerable importance in many areas of engineering in which computational time presents difficulties. Established approaches employ projection-based reduction such as Proper Orthogonal Decomposition,…

Numerical Analysis · Mathematics 2023-04-26 Thomas Simpson , Konstantinos Vlachas , Anthony Garland , Nikolaos Dervilis , Eleni Chatzi

The increasing penetration of electric vehicles (EVs) can provide substantial electricity to the grid, supporting the grids' stability. The state space model (SSM) has been proposed as an effective modeling method for power prediction and…

Systems and Control · Electrical Eng. & Systems 2025-03-07 Yiping Liu , Xiaozhe Wang , Geza Joos