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One emerging approach for the fabrication of complex architectures on the nanoscale is to utilize particles customized to intrinsically self-assemble into a desired structure. Inverse methods of statistical mechanics have proven…

材料科学 · 物理学 2017-09-08 R. B. Jadrich , B. A. Lindquist , T. M. Truskett

The optimization of functional materials is important to enhance their properties, but their complex geometries pose great challenges to optimization. Data-driven algorithms efficiently navigate such complex design spaces by learning…

计算工程、金融与科学 · 计算机科学 2025-06-05 Seongmin Kim , In-Saeng Suh

In performative stochastic optimization, decisions can influence the distribution of random parameters, rendering the data-generating process itself decision-dependent. In practice, decision-makers rarely have access to the true…

最优化与控制 · 数学 2025-10-27 Zhuangzhuang Jia , Yijie Wang , Roy Dong , Grani A. Hanasusanto

We study two-stage stochastic optimization problems with random recourse, where the adaptive decisions are multiplied with the uncertain parameters in both the objective function and the constraints. To mitigate the computational…

最优化与控制 · 数学 2021-10-05 Xiangyi Fan , Grani A. Hanasusanto

We develop a tractable and flexible approach for incorporating side information into dynamic optimization under uncertainty. The proposed framework uses predictive machine learning methods (such as $k$-nearest neighbors, kernel regression,…

最优化与控制 · 数学 2020-07-23 Dimitris Bertsimas , Christopher McCord , Bradley Sturt

An image based prediction of the effective heat conductivity for highly heterogeneous microstructured materials is presented. The synthetic materials under consideration show different inclusion morphology, orientation, volume fraction and…

计算工程、金融与科学 · 计算机科学 2019-04-02 Julian Lißner , Felix Fritzen

Stochastic microstructure reconstruction involves digital generation of microstructures that match key statistics and characteristics of a (set of) target microstructure(s). This process enables computational analyses on ensembles of…

材料科学 · 物理学 2023-01-02 Anindya Bhaduri , Ashwini Gupta , Audrey Olivier , Lori Graham-Brady

Taking uncertainty into account is crucial when making strategic decisions. To guard against the risk of adverse scenarios, traditional optimisation techniques incorporate uncertainty on the basis of prior knowledge on its distribution. In…

最优化与控制 · 数学 2022-12-06 Julien Vaes , Vassilis M. Charitopoulos

Automated analyses of the outcome of a simulation have been an important part of atomistic modeling since the early days, addressing the need of linking the behavior of individual atoms and the collective properties that are usually the…

化学物理 · 物理学 2019-05-22 Michele Ceriotti

Advances in robotics, artificial intelligence, and machine learning are ushering in a new age of automation, as machines match or outperform human performance. Machine intelligence can enable businesses to improve performance by reducing…

机器学习 · 计算机科学 2019-01-30 Oshin Olesegun , Ryan Noraas , Michael Giering , Nagendra Somanath

Robust optimization is a popular paradigm for modeling and solving two- and multi-stage decision-making problems affected by uncertainty. In many real-world applications, the time of information discovery is decision-dependent and the…

最优化与控制 · 数学 2022-08-24 Phebe Vayanos , Angelos Georghiou , Han Yu

In problems that involve input parameter information gathered from multiple data sources with varying reliability, incorporating decision makers' trust on different sources in optimization models can potentially improve solution…

最优化与控制 · 数学 2026-02-27 Yanru Guo , Ruiwei Jiang , Siqian Shen

Much more attention has been paid to unsupervised feature selection nowadays due to the emergence of massive unlabeled data. The distribution of samples and the latent effect of training a learning method using samples in more effective…

机器学习 · 计算机科学 2021-12-15 Weiyi Li , Hongmei Chen , Tianrui Li , Jihong Wan , Binbin Sang

The efficacy of robust optimization spans a variety of settings with uncertainties bounded in predetermined sets. In many applications, uncertainties are affected by decisions and cannot be modeled with current frameworks. This paper takes…

最优化与控制 · 数学 2018-03-29 Omid Nohadani , Kartikey Sharma

Likelihood-free inference is quickly emerging as a powerful tool to perform fast/effective parameter estimation. We demonstrate a technique of optimizing likelihood-free inference to make it even faster by marginalizing symmetries in a…

The last decade witnessed an explosion in the availability of data for operations research applications. Motivated by this growing availability, we propose a novel schema for utilizing data to design uncertainty sets for robust optimization…

最优化与控制 · 数学 2014-11-25 Dimitris Bertsimas , Vishal Gupta , Nathan Kallus

Mechanical metamaterials represent an innovative class of artificial structures, distinguished by their extraordinary mechanical characteristics, which are beyond the scope of traditional natural materials. The use of deep generative models…

信号处理 · 电气工程与系统科学 2024-07-31 Zihan Wang , Anindya Bhaduri , Hongyi Xu , Liping Wang

This article reviews recent inverse statistical-mechanical methodologies that we have devised to optimize interaction potentials in soft matter systems that correspond to stable "target" structures. We are interested in finding the…

软凝聚态物质 · 物理学 2008-11-05 Salvatore Torquato

In order to optimally design materials, it is crucial to understand the structure-property relations in the material by analyzing the effect of microstructure parameters on the macroscopic properties. In computational homogenization, the…

计算工程、金融与科学 · 计算机科学 2022-08-24 Theron Guo , Ondřej Rokoš , Karen Veroy

Uncertainty is prevalent in engineering design, data-driven problems, and decision making broadly. Due to inherent risk-averseness and ambiguity about assumptions, it is common to address uncertainty by formulating and solving conservative…

最优化与控制 · 数学 2024-04-05 Johannes O. Royset