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Related papers: Supply Risk-Aware Alloy Discovery and Design

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The worldwide economy and environmental sustainability depend on eff icient and reliable supply chains, in which container shipping plays a crucial role as an environmentally friendly mode of transport. Liner shipping companies seek to…

Optimization and Control · Mathematics 2025-04-08 Jaike Van Twiller , Djordje Grbic , Rune Møller Jensen

The efficiency of active learning (AL) approaches to identify materials with desired properties relies on the knowledge of a few parameters describing the property. However, these parameters are unknown if the property is governed by a high…

Materials Science · Physics 2024-12-10 Akhil S. Nair , Lucas Foppa , Matthias Scheffler

Rapid discovery and synthesis of new materials requires intelligent data acquisition strategies to navigate large design spaces. A popular strategy is Bayesian optimization, which aims to find candidates that maximize material properties;…

Supply and manufacturing networks in the chemical industry involve diverse processing steps across different locations, rendering their operation vulnerable to disruptions from unplanned events. Optimal responses should consider factors…

Optimization and Control · Mathematics 2024-12-12 Daniel Ovalle , Joshua L. Pulsipher , Yixin Ye , Kyle Harshbarger , Scott Bury , Carl D. Laird , Ignacio E. Grossmann

Although Bayesian Optimization (BO) has been employed for accelerating materials design in computational materials engineering, existing works are restricted to problems with quantitative variables. However, real designs of materials…

Machine Learning · Statistics 2019-10-07 Yichi Zhang , Daniel Apley , Wei Chen

Modern distributed systems employ aggressive optimization strategies that create latent risks - hidden vulnerabilities where exceptional performance masks catastrophic fragility when optimizations fail. Cache layers achieving 99% hit rates…

Software Engineering · Computer Science 2025-10-24 Jahidul Arafat , Kh. M. Moniruzzaman , Shamim Hossain , Fariha Tasmin

Balancing safety and efficiency when planning in crowded scenarios with uncertain dynamics is challenging where it is imperative to accomplish the robot's mission without incurring any safety violations. Typically, chance constraints are…

Robotics · Computer Science 2023-02-22 Khaled A. Mustafa , Oscar de Groot , Xinwei Wang , Jens Kober , Javier Alonso-Mora

Bayesian optimization (BO) is a sample-efficient approach for tuning design parameters to optimize expensive-to-evaluate, black-box performance metrics. In many manufacturing processes, the design parameters are subject to random input…

Machine Learning · Computer Science 2022-06-06 Samuel Daulton , Sait Cakmak , Maximilian Balandat , Michael A. Osborne , Enlu Zhou , Eytan Bakshy

This paper presents a computationally efficient method for the optimal design of silica aerogel porous material systems, balancing thermal insulation performance with mechanical stability under stress concentrations. The proposed approach…

Computational Engineering, Finance, and Science · Computer Science 2025-04-03 Pratyush Kumar Singh , Danial Faghihi

To facilitate rational molecular and materials design, this research proposes an integrated computational framework that combines stochastic simulation, ab initio quantum chemistry, and molecular docking. The suggested workflow allows…

Materials Science · Physics 2026-01-08 Md Rakibul Karim Akanda , Michael P. Richard

In contemporary Electronic Design Automation (EDA) tools, security often takes a backseat to the primary goals of power, performance, and area optimization. Commonly, the security analysis is conducted by hand, leading to vulnerabilities in…

Cryptography and Security · Computer Science 2024-02-07 Lennart M. Reimann , Anshul Prashar , Chiara Ghinami , Rebecca Pelke , Dominik Sisejkovic , Farhad Merchant , Rainer Leupers

This paper studied a robust concurrent topology optimization (RCTO) approach to design the structure and its composite materials simultaneously. For the first time, the material uncertainty with imprecise probability is integrated into the…

Computational Engineering, Finance, and Science · Computer Science 2020-03-10 Y. Wu , Eric Li , Z. C. He , X. Y. Lin , H. X. Jiang

The conflict between stiffness and toughness is a fundamental problem in engineering materials design. However, the systematic discovery of microstructured composites with optimal stiffness-toughness trade-offs has never been demonstrated,…

Materials Science · Physics 2024-01-05 Beichen Li , Bolei Deng , Wan Shou , Tae-Hyun Oh , Yuanming Hu , Yiyue Luo , Liang Shi , Wojciech Matusik

A key challenge in science and engineering is to design experiments to learn about some unknown quantity of interest. Classical experimental design optimally allocates the experimental budget to maximize a notion of utility (e.g., reduction…

Machine Learning · Computer Science 2022-11-10 Mojmír Mutný , Tadeusz Janik , Andreas Krause

Model-based process simulation can be used to derive designs and operating conditions of chemical processes that optimally balance multiple objectives, such as quality, costs, or environmental impacts. This work focuses on identifying…

Scientific hypothesis generation is central to materials discovery, yet current approaches often emphasize either conceptual (idea-to-data) reasoning or data-driven (data-to-idea) analysis, rarely achieving an effective integration of both.…

Materials Science · Physics 2025-09-24 Kangyu Ji , Tianran Liu , Fang Sheng , Shaun Tan , Moungi Bawendi , Tonio Buonassisi

Robust optimization is a method for optimization under uncertainties in engineering systems and designs for applications ranging from aeronautics to nuclear. In a robust design process, parameter variability (or uncertainty) is incorporated…

Computation · Statistics 2022-10-17 Richa Verma , Dinesh Kumar , Kazuma Kobayashi , Syed Alam

The growing emphasis on energy efficiency and environmental sustainability in global supply chains introduces new challenges in the deployment of hyperconnected logistic hub networks. In current volatile, uncertain, complex, and ambiguous…

Computation and Language · Computer Science 2025-03-28 Yinzhu Quan , Yujia Xu , Guanlin Chen , Frederick Benaben , Benoit Montreuil

Designing sustainable systems involves complex interactions between environmental resources, social impact/adoption, and financial costs/benefits. In a constrained world, achieving a balanced design across those dimensions has become…

Software Engineering · Computer Science 2025-03-04 Christophe Ponsard

This paper proposes strategies for designing a system whose computational model is subject to aleatory and epistemic uncertainty. Aleatory variables, which are caused by randomness in physical parameters, are draws from a possibly unknown…

Methodology · Statistics 2026-02-18 Luis G. Crespo
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