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We explore efficient estimation of statistical quantities, particularly rare event probabilities, for stochastic reaction networks. Consequently, we propose an importance sampling (IS) approach to improve the Monte Carlo (MC) estimator…

Numerical Analysis · Mathematics 2024-03-12 Chiheb Ben Hammouda , Nadhir Ben Rached , Raúl Tempone , Sophia Wiechert

The paper presents a new efficient and robust method for rare event probability estimation for computational models of an engineering product or a process returning categorical information only, for example, either success or failure. For…

Computational Engineering, Finance, and Science · Computer Science 2022-10-11 Miroslav Vořechovský

Soft random sampling (SRS) is a simple yet effective approach for efficient training of large-scale deep neural networks when dealing with massive data. SRS selects a subset uniformly at random with replacement from the full data set in…

Machine Learning · Computer Science 2023-11-27 Xiaodong Cui , Ashish Mittal , Songtao Lu , Wei Zhang , George Saon , Brian Kingsbury

Spatial classification with limited feature observations has been a challenging problem in machine learning. The problem exists in applications where only a subset of sensors are deployed at certain spots or partial responses are collected…

Machine Learning · Computer Science 2020-09-03 Arpan Man Sainju , Wenchong He , Zhe Jiang , Da Yan , Haiquan Chen

The Random Batch Method (RBM) is an effective technique to reduce the computational complexity when solving certain stochastic differential problems (SDEs) involving interacting particles. It can transform the computational complexity from…

Numerical Analysis · Mathematics 2024-12-23 Yanshun Zhao , Jingrun Chen , Zhiwen Zhang

The ability to detect and classify rare occurrences in images has important applications - for example, counting rare and endangered species when studying biodiversity, or detecting infrequent traffic scenarios that pose a danger to…

Computer Vision and Pattern Recognition · Computer Science 2019-05-15 Sara Beery , Yang Liu , Dan Morris , Jim Piavis , Ashish Kapoor , Markus Meister , Neel Joshi , Pietro Perona

In order to perform autonomous sequential manipulation tasks, perception in cluttered scenes remains a critical challenge for robots. In this paper, we propose a probabilistic approach for robust sequential scene estimation and manipulation…

Robotics · Computer Science 2017-03-23 Zhiqiang Sui , Zheming Zhou , Zhen Zeng , Odest Chadwicke Jenkins

Simulation of surface processes is a key part of computational chemistry that offers atomic-scale insights into mechanisms of heterogeneous catalysis, diffusion dynamics, as well as quantum tunneling phenomena. The most common theoretical…

Chemical Physics · Physics 2023-05-01 Wei Fang , Yu-Cheng Zhu , Yi-Han Cheng , Yi-Ping Hao , Jeremy O. Richardson

Symbolic Regression (SR) offers an interpretable alternative to conventional Machine-Learning (ML) approaches, which are often criticized as ``black boxes''. In contrast to standard regression models that require a prescribed functional…

Artificial Intelligence · Computer Science 2026-05-05 Theofanis Aravanis , Grigorios Chrimatopoulos , Mohammad Ferdows , Michalis Xenos , Efstratios Em Tzirtzilakis

Randomized smoothing (RS) is one of the prominent techniques to ensure the correctness of machine learning models, where point-wise robustness certificates can be derived analytically. While RS is well understood for classification, its…

Machine Learning · Computer Science 2025-09-22 Emmanouil Seferis , Changshun Wu , Stefanos Kollias , Saddek Bensalem , Chih-Hong Cheng

This paper introduces a simple but highly efficient ensemble for robust texture classification, which can effectively deal with translation, scale and changes of significant viewpoint problems. The proposed method first inherits the spirit…

Computer Vision and Pattern Recognition · Computer Science 2012-03-06 Shu Kong , Donghui Wang

We address the problem of learning an unknown smooth function and its derivatives from noisy pointwise evaluations under the supremum norm. While classical nonparametric regression provides a strong theoretical foundation, traditional…

Machine Learning · Computer Science 2026-03-10 Davide Maran , Marcello Restelli

Graph-based representations such as Scene Graphs enable localization in structured indoor environments by matching a locally observed graph, constructed from sensor data, to a prior map. This process is particularly challenging in…

Particle-based shape modeling (PSM) is a popular approach to automatically quantify shape variability in populations of anatomies. The PSM family of methods employs optimization to automatically populate a dense set of corresponding…

Computer Vision and Pattern Recognition · Computer Science 2024-11-26 Hong Xu , Shireen Y. Elhabian

Randomized Smoothing (RS) is a promising method for obtaining robustness certificates by evaluating a base model under noise. In this work, we: (i) theoretically motivate why ensembles are a particularly suitable choice as base models for…

Machine Learning · Computer Science 2022-03-31 Miklós Z. Horváth , Mark Niklas Müller , Marc Fischer , Martin Vechev

Efficient stochastic simulation algorithms are of paramount importance to the study of spreading phenomena on complex networks. Using insights and analytical results from network science, we discuss how the structure of contacts affects the…

Physics and Society · Physics 2019-07-24 Guillaume St-Onge , Jean-Gabriel Young , Laurent Hébert-Dufresne , Louis J. Dubé

Randomized smoothing is the dominant standard for provable defenses against adversarial examples. Nevertheless, this method has recently been proven to suffer from important information theoretic limitations. In this paper, we argue that…

Machine Learning · Computer Science 2022-06-06 Raphael Ettedgui , Alexandre Araujo , Rafael Pinot , Yann Chevaleyre , Jamal Atif

This article presents a new method to compute matrices from numerical simulations based on the ideas of sparse sampling and compressed sensing. The method is useful for problems where the determination of the entries of a matrix constitutes…

Chemical Physics · Physics 2014-10-21 Jacob N. Sanders , Xavier Andrade , Alán Aspuru-Guzik

Due to the time scale problem, rare events are not accessible by straight forward molecular dynamics. The presence of multiple reaction channels complicates the problem even further. The feasibility of the standard free energy based methods…

Statistical Mechanics · Physics 2009-11-13 Titus S. van Erp

The dynamics of molecules are governed by rare event transitions between long-lived (metastable) states. To explore these transitions efficiently, many enhanced sampling protocols have been introduced that involve using simulations with…

Chemical Physics · Physics 2022-09-30 Maaike M. Galama , Hao Wu , Andreas Krämer , Mohsen Sadeghi , Frank Noé