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The interpretation of experiments on reactive semiconductor surfaces requires statistically significant sampling of molecular dynamics, but conventional ab initio methods are limited due to prohibitive computational costs. Machine-learning…

材料科学 · 物理学 2025-09-19 Hendrik Weiske , Rhyan Barrett , Ralf Tonner-Zech , Patrick Melix , Julia Westermayr

Interrelated Two-way Clustering (ITC) is an unsupervised clustering method developed to divide samples into two groups in gene expression data obtained through microarrays, selecting important genes simultaneously in the process. This has…

统计计算 · 统计学 2018-05-08 Subhabrata Majumdar , Subhash C. Basak , Gregory D. Grunwald

This article focuses on making discrete-time Adaptive Iterative Learning Control (ILC) more effective using multiple estimation models. Existing strategies use the tracking error to adjust the parametric estimates. Our strategy uses the…

系统与控制 · 电气工程与系统科学 2024-06-14 Ram Padmanabhan , Rajini Makam , Koshy George

Altering chemical reactivity and material structure in confined optical environments is on the rise, and yet, a conclusive understanding of the microscopic mechanisms remains elusive. This originates mostly from the fact that accurately…

化学物理 · 物理学 2024-03-22 Christian Schäfer , Jakub Fojt , Eric Lindgren , Paul Erhart

This work introduces a comprehensive approach to assess the sensitivity of model outputs to changes in parameter values, constrained by the combination of prior beliefs and data. This novel approach identifies stiff parameter combinations…

Dose selection is critical in pharmaceutical drug development, as it directly impacts therapeutic efficacy and patient safety of a drug. The Generalized Multiple Comparison Procedures and Modeling (MCP-Mod) approach is commonly used in…

统计方法学 · 统计学 2025-05-23 Lukas Pin , Oleksandr Sverdlov , Frank Bretz , Björn Bornkamp

Environmental health researchers often aim to identify sources/behaviors that give rise to potentially harmful exposures. We adapted principal component pursuit (PCP)-a robust technique for dimensionality reduction in computer vision and…

As with many parts of the natural sciences, machine learning interatomic potentials (MLIPs) are revolutionizing the modeling of molecular crystals. However, challenges remain for the accurate and efficient calculation of sublimation…

The journey of reducing noise from distant supervision (DS) generated training data has been started since the DS was first introduced into the relation extraction (RE) task. For the past decade, researchers apply the multi-instance…

计算与语言 · 计算机科学 2021-06-22 Tao Chen , Haizhou Shi , Siliang Tang , Zhigang Chen , Fei Wu , Yueting Zhuang

Scaling analysis exploiting timescale separation has been one of the most important techniques in the quantitative analysis of nonlinear dynamical systems in mathematical and theoretical biology. In the case of enzyme catalyzed reactions,…

定量方法 · 定量生物学 2023-03-21 Justin Eilertsen , Wylie Stroberg , Santiago Schnell

Scientists use mathematical modelling to understand and predict the properties of complex physical systems. In highly parameterised models there often exist relationships between parameters over which model predictions are identical, or…

数据分析、统计与概率 · 物理学 2017-03-24 Dhruva V. Raman , James Anderson , Antonis Papachristodoulou

Multi-Instance Learning(MIL) aims to learn the mapping between a bag of instances and the bag-level label. Therefore, the relationships among instances are very important for learning the mapping. In this paper, we propose an MIL algorithm…

机器学习 · 计算机科学 2021-02-04 Yangling Ma , Zhouwang Yang

Multiple Instance Learning (MIL) has been widely used in weakly supervised whole slide image (WSI) classification. Typical MIL methods include a feature embedding part, which embeds the instances into features via a pre-trained feature…

计算机视觉与模式识别 · 计算机科学 2024-08-02 Peijie Qiu , Pan Xiao , Wenhui Zhu , Yalin Wang , Aristeidis Sotiras

For linear models with a diverging number of parameters, it has recently been shown that modified versions of Bayesian information criterion (BIC) can identify the true model consistently. However, in many cases there is little…

统计方法学 · 统计学 2011-07-26 Heng Lian

Composed Image Retrieval (CIR) is the task of retrieving images matching a reference image augmented with a text, where the text describes changes to the reference image in natural language. Traditionally, models designed for CIR have…

计算机视觉与模式识别 · 计算机科学 2025-06-16 Yiqun Duan , Sameera Ramasinghe , Stephen Gould , Ajanthan Thalaiyasingam

A mixture of multivariate contaminated normal distributions is developed for model-based clustering. In addition to the parameters of the classical normal mixture, our contaminated mixture has, for each cluster, a parameter controlling the…

统计方法学 · 统计学 2016-05-20 Antonio Punzo , Paul D. McNicholas

Hybrid systems are traditionally difficult to identify and analyze using classical dynamical systems theory. Moreover, recently developed model identification methodologies largely focus on identifying a single set of governing equations…

动力系统 · 数学 2019-06-19 Niall M Mangan , Travis Askham , Steven L Brunton , J Nathan Kutz , Joshua L Proctor

Many collective systems exist in nature far from equilibrium, ranging from cellular sheets up to flocks of birds. These systems reflect a form of active matter, whereby individual material components have internal energy. Under specific…

软凝聚态物质 · 物理学 2023-04-17 Namid R. Stillman , Silke Henkes , Roberto Mayor , Gilles Louppe

Mathematical models are crucial for optimizing and controlling chemical processes, yet they often face significant limitations in terms of computational time, algorithm complexity, and development costs. Hybrid models, which combine…

Reduced-order models based on level-set methods are widely used tools to qualitatively capture and track the nonlinear dynamics of an interface. The aim of this paper is to develop a physics-informed, data-driven, statistically rigorous…

计算物理 · 物理学 2019-09-20 Hans Yu , Matthew P. Juniper , Luca Magri