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Data scarcity, bias, and experimental noise are all frequently encountered problems in the application of deep learning to chemical and material science disciplines. Transfer learning has proven effective in compensating for the lack in…

Chemical Physics · Physics 2021-03-16 Florence H. Vermeire , William H. Green

The time-dependent exchange-correlation potential has an unusual task in directing fictitious non-interacting electrons to move with exactly the same probability density as true interacting electrons. This has intriguing implications for…

Chemical Physics · Physics 2024-06-19 Davood Dar , Lionel Lacombe , Neepa T. Maitra

Given a heterogeneous time-series sample, the objective is to find points in time (called change points) where the probability distribution generating the data has changed. The data are assumed to have been generated by arbitrary unknown…

Machine Learning · Statistics 2015-05-13 Azadeh Khaleghi , Daniil Ryabko

We present a new method, Non-Stationary Forward Flux Sampling, that allows efficient simulation of rare events in both stationary and non-stationary stochastic systems. The method uses stochastic branching and pruning to achieve uniform…

Molecular Networks · Quantitative Biology 2015-06-03 Nils B. Becker , Rosalind J. Allen , Pieter Rein ten Wolde

The field-circuit coupled simulation of switch-mode power converters with conventional time discretization is computationally expensive since very small time steps are needed to appropriately account for steep transients occurring inside…

Computational Engineering, Finance, and Science · Computer Science 2019-07-09 Andreas Pels , Herbert De Gersem , Ruth V. Sabariego , Sebastian Schöps

We show that a quantum state transfer, previously studied as a continuous time process in networks of interacting spins, can be achieved within the model of discrete time quantum walks with position dependent coin. We argue that due to…

Quantum Physics · Physics 2016-10-05 Pawel Kurzynski , Antoni Wojcik

An algorithm for simulation of switching converters is proposed in the paper. The algorithm is based on simulation of averaged circuit model applying "switching cell" concept, and construction of instantaneous values of the waveforms using…

Systems and Control · Electrical Eng. & Systems 2026-04-22 Aleksandra Lekić , Predrag Pejović

Real world systems of interest often feature interactions between discrete and continuous dynamics. Various hybrid system formalisms have been used to model and analyze this combination of dynamics, ranging from mathematical descriptions,…

Logic in Computer Science · Computer Science 2021-09-22 Yong Kiam Tan , André Platzer

Peak estimation bounds extreme values of a function of state along trajectories of a dynamical system. This paper focuses on extending peak estimation to continuous and discrete settings with time-independent and time-dependent uncertainty.…

Optimization and Control · Mathematics 2021-03-25 Jared Miller , Didier Henrion , Mario Sznaier , Milan Korda

This work studies a class of switching diffusion systems where the switching component takes values in a countable state space and its transition rates depend on the history of the continuous component. Under suitable conditions, we…

Probability · Mathematics 2025-08-08 Fubao Xi , Yafei Zhai , Chao Zhu

This paper proposes a new event-based parameter switching method for the control tasks of cybersecurity in the context of preventive and reactive cyber defense dynamics. Our parameter switching method helps avoid excessive control costs as…

Cryptography and Security · Computer Science 2021-04-28 Zhaofeng Liu , Wenlian Lu , Yingying Lang

Quantum walks are a well-established model for the study of coherent transport phenomena and provide a universal platform in quantum information theory. Dynamically influencing the walker's evolution gives a high degree of flexibility for…

Regime shifts in high-dimensional time series arise naturally in many applications, from neuroimaging to finance. This problem has received considerable attention in low-dimensional settings, with both Bayesian and frequentist methods used…

Methodology · Statistics 2025-09-05 Xiudi Li , Abolfazl Safikhani , Ali Shojaie

Symbolic event recognition systems have been successfully applied to a variety of application domains, extracting useful information in the form of events, allowing experts or other systems to monitor and respond when significant events are…

Artificial Intelligence · Computer Science 2013-08-16 Anastasios Skarlatidis , Georgios Paliouras , Alexander Artikis , George A. Vouros

Differential-algebraic equations (DAEs) with state-dependent events arise in systems whose continuous dynamics are constrained by algebraic equations and interrupted by mode changes, switching logic, impacts, or state reinitializations.…

Machine Learning · Computer Science 2026-05-08 Ion Matei , Maksym Zhenirovskyy , Anthony Wong

We propose a numerical method to simulate electrohydrodynamic phenomena in charged colloidal dispersions. This method enables us to compute the time evolutions of colloidal particles, ions, and host fluids simultaneously by solving Newton,…

Soft Condensed Matter · Physics 2007-05-23 Kang Kim , Yasuya Nakayama , Ryoichi Yamamoto

Missing data and noisy observations pose significant challenges for reliably predicting events from irregularly sampled multivariate time series (longitudinal) data. Imputation methods, which are typically used for completing the data prior…

Machine Learning · Statistics 2017-08-17 Hossein Soleimani , James Hensman , Suchi Saria

This paper focuses on the invariance control problem for discrete-time switched nonlinear systems. The proposed approach computes controlled invariant sets in a finite number of iterations and directly yields a partition-based invariance…

Optimization and Control · Mathematics 2016-09-01 Yinan Li , Jun Liu

A symbolic approach to decentralized set-valued state estimation and prediction for systems that admit a hybrid state machine representations is proposed. The decentralized computational scheme represents a conj unction of a finite number…

Systems and Control · Computer Science 2013-02-28 Naim Bajcinca

Understanding dynamics in complex systems is challenging because there are many degrees of freedom, and those that are most important for describing events of interest are often not obvious. The leading eigenfunctions of the transition…

Computational Physics · Physics 2023-07-24 John Strahan , Spencer C. Guo , Chatipat Lorpaiboon , Aaron R. Dinner , Jonathan Weare
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