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Modern potential energy surfaces have shifted attention to molecular simulations of chemical reactions. While various methods can estimate rate constants for conformational transitions in molecular dynamics simulations, their applicability…

Chemical Physics · Physics 2024-07-10 Simon Ghysbrecht , Luca Donati , Bettina G. Keller

Time course measurement of single molecules on a cell surface provides detailed information on the dynamics of the molecules, which is otherwise inaccessible. To extract the quantitative information, single particle tracking (SPT) is…

Quantitative Methods · Quantitative Biology 2016-01-06 Shunsuke Teraguchi , Yutaro Kumagai

We study the problem of deriving policies, or rules, that when enacted on a complex system, cause a desired outcome. Absent the ability to perform controlled experiments, such rules have to be inferred from past observations of the system's…

Machine Learning · Computer Science 2020-09-09 Kailash Budhathoki , Mario Boley , Jilles Vreeken

We consider a setting where multiple entities inter-act with each other over time and the time-varying statuses of the entities are represented as multiple correlated time series. For example, speed sensors are deployed in different…

Machine Learning · Computer Science 2021-03-23 Razvan-Gabriel Cirstea , Chenjuan Guo , Bin Yang

Linear causal analysis is central to a wide range of important application spanning finance, the physical sciences, and engineering. Much of the existing literature in linear causal analysis operates in the time domain. Unfortunately, the…

Machine Learning · Computer Science 2016-03-11 Francois W. Belletti , Evan R. Sparks , Michael J. Franklin , Alexandre M. Bayen , Joseph E. Gonzalez

Estimating causal effects from observational data has become increasingly critical in diverse fields including healthcare, economics, and social policy. The fundamental challenge in causal inference arises from the missing counterfactuals…

Machine Learning · Computer Science 2026-05-08 Yifei Xie , Jian Huang

We discuss the identification of a time-dependent potential in a time-fractional diffusion model from a boundary measurement taken at a single point. Theoretically, we establish a conditional Lipschitz stability for this inverse problem.…

Numerical Analysis · Mathematics 2024-07-23 Siyu Cen , Kwancheol Shin , Zhi Zhou

Time series is the most prevalent form of input data for educational prediction tasks. The vast majority of research using time series data focuses on hand-crafted features, designed by experts for predictive performance and…

Machine Learning · Computer Science 2023-03-01 Mohammad Asadi , Vinitra Swamy , Jibril Frej , Julien Vignoud , Mirko Marras , Tanja Käser

Temporal feature extraction is an important issue in video-based action recognition. Optical flow is a popular method to extract temporal feature, which produces excellent performance thanks to its capacity of capturing pixel-level…

Computer Vision and Pattern Recognition · Computer Science 2020-05-07 Yuecong Xu , Jianfei Yang , Kezhi Mao , Jianxiong Yin , Simon See

We present a general formalism based on scattering theory to calculate quantum correlation functions involving several time-dependent current operators. A key ingredient is the causality of the scattering matrix, which allows one to deal…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 J. Salo , F. W. J. Hekking , J. P. Pekola

We propose a function-on-function linear regression model for time-dependent curve data that is consistently estimated by imposing factor structures on the regressors. An integral operator based on cross-covariances identifies two…

Econometrics · Economics 2025-08-08 Sven Otto , Luis Winter

Linear dynamical relations that may exist in continuous-time, or at some natural sampling rate, are not directly discernable at reduced observational sampling rates. Indeed, at reduced rates, matricial spectral densities of vectorial time…

Systems and Control · Computer Science 2018-07-25 Tryphon T. Georgiou , Anders Lindquist

We derive a novel efficient scheme to measure the rate constant of transitions between stable states separated by high free energy barriers in a complex environment within the framework of transition path sampling. The method is based on…

Statistical Mechanics · Physics 2009-11-07 Titus S. van Erp , Daniele Moroni , Peter G. Bolhuis

Concurrent time series commonly arise in various applications, including when monitoring the environment such as in air quality measurement networks, weather stations, oceanographic buoys, or in paleo form such as lake sediments, tree…

Methodology · Statistics 2015-10-20 Matz A. Haugen , Bala Rajaratnam , Paul Switzer

We have developed a new analytic method to calculate the galaxy two-point correlation functions (TPCFs) accurately and efficiently, applicable to surveys with finite, regular, and mask-free geometries. We have derived simple, accurate…

Astrophysics of Galaxies · Physics 2021-11-17 Chong-Chong He

Analysing stationary point databases to extract phenomenological rate constants can become time-consuming for systems with large potential energy barriers. In the present contribution we analyse several different approaches to this problem.…

Soft Condensed Matter · Physics 2009-11-11 Semen A. Trygubenko , David J. Wales

A procedure is described for estimating evolutionary rate matrices from observed site frequency data. The procedure assumes (1) that the data are obtained from a constant size population evolving according to a stationary Wright-Fisher…

Populations and Evolution · Quantitative Biology 2016-07-18 Conrad J. Burden , Yurong Tang

Most existing temporal point process models are characterized by conditional intensity function. These models often require numerical approximation methods for likelihood evaluation, which potentially hurts their performance. By directly…

Machine Learning · Computer Science 2024-05-03 Bingqing Liu

The field of hypothesis generation promises to reduce costs in neuroscience by narrowing the range of interventional studies needed to study various phenomena. Existing machine learning methods can generate scientific hypotheses from…

Machine Learning · Computer Science 2025-07-04 Zachary C. Brown , David Carlson

This paper deals with rate distortion or source coding with fidelity criterion, in measure spaces, for a class of source distributions. The class of source distributions is described by a relative entropy constraint set between the true and…

Information Theory · Computer Science 2013-05-07 Farzad Rezaei , Charalambos D. Charalambous , Photios A. Stavrou
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