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The increasing availability of full-field displacement data from imaging techniques in experimental mechanics is determining a gradual shift in the paradigm of material model calibration and discovery, from using several simple-geometry…

Computational Engineering, Finance, and Science · Computer Science 2025-07-01 Saeid Ghouli , Moritz Flaschel , Siddhant Kumar , Laura De Lorenzis

While automated experiments and high-throughput methods are becoming more mainstream in the age of data, empowering individual researchers to capture, collate, and contextualize their data faster and more reproducibly still remains a…

Computers and Society · Computer Science 2020-07-30 Ha-Kyung Kwon , Chirranjeevi Balaji Gopal , Jared Kirschner , Santiago Caicedo , Brian D. Storey

Algorithms for machine learning-guided design, or design algorithms, use machine learning-based predictions to propose novel objects with desired property values. Given a new design task -- for example, to design novel proteins with high…

Machine Learning · Computer Science 2025-07-04 Clara Fannjiang , Ji Won Park

Reliable artificial-intelligence models have the potential to accelerate the discovery of materials with optimal properties for various applications, including superconductivity, catalysis, and thermoelectricity. Advancements in this field…

Materials Science · Physics 2023-06-07 Thomas A. R. Purcell , Matthias Scheffler , Luca M. Ghiringhelli , Christian Carbogno

Advanced manufacturing techniques have enabled the production of materials with state-of-the-art properties. In many cases however, the development of physics-based models of these techniques lags behind their use in the lab. This means…

Machine Learning · Computer Science 2021-12-06 Loc Truong , WoongJo Choi , Colby Wight , Lizzy Coda , Tegan Emerson , Keerti Kappagantula , Henry Kvinge

In this work we consider data-driven optimization problems where one must maximize a function given only queries at a fixed set of points. This problem setting emerges in many domains where function evaluation is a complex and expensive…

Machine Learning · Computer Science 2021-02-17 Justin Fu , Sergey Levine

The latest Industrial revolution has helped industries in achieving very high rates of productivity and efficiency. It has introduced data aggregation and cyber-physical systems to optimize planning and scheduling. Although, uncertainty in…

Other Statistics · Statistics 2021-01-15 Ashwin Misra , Ankit Mittal , Vihaan Misra , Deepanshu Pandey

Constitutive models play a crucial role in materials science as they describe the behavior of the materials in mathematical forms. Over the last few decades, the rapid development of manufacturing technologies have led to the discovery of…

Materials Science · Physics 2024-10-17 Xinxin Wu , Yin Zhang , Sheng Mao

Measurement involves the determination of quantitative estimates of physical quantities from experiment, along with estimates of their associated uncertainties. Herewith an experimental system model is the key to extracting information from…

Applications · Statistics 2008-09-01 Vladimir B. Bokov

High-dimensional multivariate time series are challenging due to the dependent and high-dimensional nature of the data, but in many applications there is additional structure that can be exploited to reduce computing time along with…

Methodology · Statistics 2020-03-13 Michael Schweinberger , Sergii Babkin , Katherine Ensor

With the recent wave of digitalization, specifically in the context of safety-critical applications, there has been a growing need for computationally efficient, accurate, generalizable, and trustworthy models. Physics-based models have…

Numerical Analysis · Mathematics 2023-09-20 Sondre Sørbø , Sindre Stenen Blakseth , Adil Rasheed , Trond Kvamsdal , Omer San

In this paper, the preliminary design of a space mission is approached introducing uncertainties on the design parameters and formulating the resulting reliable design problem as a multiobjective optimization problem. Uncertainties are…

Computational Engineering, Finance, and Science · Computer Science 2015-06-05 Massimiliano Vasile

High-throughput computational and experimental design of materials aided by machine learning have become an increasingly important field in material science. This area of research has emerged in leaps and bounds in the thermal sciences, in…

Materials Science · Physics 2019-06-17 Hang Zhang , Kedar Hippalgaonkar , Tonio Buonassisi , Ole M. Løvvik , Espen Sagvolden , Ding Ding

Accelerated discovery in materials science demands autonomous systems capable of dynamically formulating and solving design problems. In this work, we introduce a novel framework that leverages Bayesian optimization over a problem…

Systems and Control · Electrical Eng. & Systems 2025-02-11 Danial Khatamsaz , Joseph Wagner , Brent Vela , Raymundo Arroyave , Douglas L. Allaire

This paper reviews past and ongoing efforts in using high-throughput ab-inito calculations in combination with machine learning models for materials design. The primary focus is on bulk materials, i.e., materials with fixed, ordered,…

Materials Science · Physics 2020-07-08 Rickard Armiento

Data-driven forecasts of air quality have recently achieved more accurate short-term predictions. Despite their success, most of the current data-driven solutions lack proper quantifications of model uncertainty that communicate how much to…

Machine Learning · Computer Science 2021-12-07 Abdulmajid Murad , Frank Alexander Kraemer , Kerstin Bach , Gavin Taylor

In this research, a new data mining-based design approach has been developed for designing complex mechanical systems such as a crashworthy passenger car with uncertainty modeling. The method allows exploring the big crash simulation…

Systems and Control · Electrical Eng. & Systems 2021-07-14 Xianping Du , Binhui Jiang , Feng Zhu

We study iterative methods for (two-stage) robust combinatorial optimization problems with discrete uncertainty. We propose a machine-learning-based heuristic to determine starting scenarios that provide strong lower bounds. To this end, we…

Optimization and Control · Mathematics 2022-12-26 Marc Goerigk , Jannis Kurtz

In large-scale, data-driven applications, parameters are often only known approximately due to noise and limited data samples. In this paper, we focus on high-dimensional optimization problems with linear constraints under uncertain…

Optimization and Control · Mathematics 2024-03-01 Naqi Huang , Nestor Parolya , Theresia van Essen

This paper presents a computational framework for the robust stiffness design of hyperelastic structures at finite deformations subject to various uncertain sources. In particular, the loading, material properties, and geometry…

Computational Engineering, Finance, and Science · Computer Science 2025-01-28 Nan Feng , Guodong Zhang , Kapil Khandelwal