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Molecular dynamics simulation is now a widespread approach for understanding complex systems on the atomistic scale. It finds applications from physics and chemistry to engineering, life and medical science. In the last decade, the approach…

Computational Physics · Physics 2021-04-28 Shunzhou Wan , Robert C. Sinclair , Peter V. Coveney

Random walkers absorbing on a boundary sample the Harmonic Measure linearly and independently: we discuss how the recurrence times between impacts enable non-linear moments of the measure to be estimated. From this we derive a new technique…

Statistical Mechanics · Physics 2007-05-23 Ellak Somfai , Nicholas R. Goold , Robin C. Ball , Jason P. DeVita , Leonard M. Sander

The majority of research on efficient and scalable algorithms in computational science and engineering has focused on the forward problem: given parameter inputs, solve the governing equations to determine output quantities of interest. In…

Optimization and Control · Mathematics 2015-11-05 Tobin Isaac , Noemi Petra , Georg Stadler , Omar Ghattas

The pursuit of quality improvements and accountability in the food supply chains, especially how they relate to food-related outcomes, such as hunger, has become increasingly vital, necessitating a comprehensive approach that encompasses…

Physics and Society · Physics 2025-01-13 Bart Gajderowicz , Mark S Fox , Yongchao Gao

In imaging inverse problems, one seeks to recover an image from missing/corrupted measurements. Because such problems are ill-posed, there is great motivation to quantify the uncertainty induced by the measurement-and-recovery process.…

Computer Vision and Pattern Recognition · Computer Science 2024-07-15 Jeffrey Wen , Rizwan Ahmad , Philip Schniter

Medical multimodal learning faces significant challenges with missing modalities prevalent in clinical practice. Existing approaches assume equal contribution of modality and random missing patterns, neglecting inherent uncertainty in…

Machine Learning · Computer Science 2026-01-30 Linxiao Gong , Yang Liu , Lianlong Sun , Yulai Bi , Jing Liu , Xiaoguang Zhu

Timely detection of abrupt anomalies is crucial for real-time monitoring and security of modern systems producing high-dimensional data. With this goal, we propose effective and scalable algorithms. Proposed algorithms are nonparametric as…

Machine Learning · Computer Science 2020-02-19 Mehmet Necip Kurt , Yasin Yilmaz , Xiaodong Wang

This work develops a measurement-driven and model-based formal verification approach, applicable to systems with partly unknown dynamics. We provide a principled method, grounded on reachability analysis and on Bayesian inference, to…

Systems and Control · Computer Science 2015-09-14 Sofie Haesaert , Paul M. J. Van den Hof , Alessandro Abate

Conventional formulation of quantum sensing has been mostly developed in the context of local estimation, where the unknown parameter is roughly known. In contrast, global sensing, where the prior information is incomplete and the unknown…

Quantum Physics · Physics 2025-07-08 Chiranjib Mukhopadhyay , Matteo G. A. Paris , Abolfazl Bayat

Results of neural network learning are always subject to some variability, due to the sensitivity to initial conditions, to convergence to local minima, and, sometimes more dramatically, to sampling variability. This paper presents a set of…

Statistics Theory · Mathematics 2007-06-13 Eric De Bodt , Marie Cottrell , Michel Verleysen

Gaussian processes are the gold standard for many real-world modeling problems, especially in cases where a model's success hinges upon its ability to faithfully represent predictive uncertainty. These problems typically exist as parts of…

In software-intensive organizations, an organizational management system will not guarantee organizational success unless the business strategy can be translated into a set of operational software goals. The Goal Question Metric (GQM)…

Software Engineering · Computer Science 2014-02-04 Victor Basili , Jens Heidrich , Mikael Lindvall , Jürgen Münch , Myrna Regardie , Dieter Rombach , Carolyn Seaman , Adam Trendowicz

The relationship between micro-structure and macro-structure of complex systems using information geometry has been dealt by several authors. From this perspective, we are going to apply it as a geometrical structure connecting both…

General Finance · Quantitative Finance 2013-10-17 M. E. Kahil

Wearable devices, such as actigraphy monitors and continuous glucose monitors (CGMs), capture high-frequency data, which are often summarized by the percentages of time spent within fixed thresholds. For example, actigraphy data are…

Methodology · Statistics 2025-01-22 Junyoung Park , Neo Kok , Irina Gaynanova

We develop an encompassing framework for matching, covariate balancing, and doubly-robust methods for causal inference from observational data called generalized optimal matching (GOM). The framework is given by generalizing a new…

Machine Learning · Statistics 2017-10-30 Nathan Kallus

We consider high-dimensional generalized linear models when the covariates are contaminated by measurement error. Estimates from errors-in-variables regression models are well-known to be biased in traditional low-dimensional settings if…

Computation · Statistics 2020-01-06 Michael Byrd , Monnie McGee

We study distributions of persistent homology barcodes associated to taking subsamples of a fixed size from metric measure spaces. We show that such distributions provide robust invariants of metric measure spaces, and illustrate their use…

Computational Geometry · Computer Science 2014-01-20 Andrew J. Blumberg , Itamar Gal , Michael A. Mandell , Matthew Pancia

Graphical models have demonstrated their exceptional capabilities across numerous applications. However, their performance, confidence, and trustworthiness are often limited by the inherent randomness in data generation and the lack of…

Machine Learning · Computer Science 2026-04-15 Chao Chen , Chenghua Guo , Rui Xu , Jiujiu Chen , Xiangwen Liao , Xi Zhang , Sihong Xie , Hui Xiong , Philip Yu

The accessibility of spatially distributed data, enabled by affordable sensors, field, and numerical experiments, has facilitated the development of data-driven solutions for scientific problems, including climate change, weather…

Machine Learning · Computer Science 2023-11-09 Vardhan Dongre , Gurpreet Singh Hora

Stochastic optimization has found wide applications in minimizing objective functions in machine learning, which motivates a lot of theoretical studies to understand its practical success. Most of existing studies focus on the convergence…

Artificial Intelligence · Computer Science 2023-07-19 Yunwen Lei