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Related papers: Supply Risk-Aware Alloy Discovery and Design

200 papers

Bayesian optimization (BO) is increasingly employed in critical applications such as materials design and drug discovery. An increasingly popular strategy in BO is to forgo the sole reliance on high-fidelity data and instead use an ensemble…

Machine Learning · Statistics 2023-03-22 Zahra Zanjani Foumani , Mehdi Shishehbor , Amin Yousefpour , Ramin Bostanabad

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…

Optimization and Control · Mathematics 2024-04-05 Johannes O. Royset

Inventory management is a fundamental challenge in supply chain management. The challenge is compounded when the associated products have unpredictable demands. This study proposes an innovative optimization approach combining…

Optimization and Control · Mathematics 2024-02-20 Sarit Maitra

Multi-principal element alloys open large composition spaces for alloy development. The large compositional space necessitates rapid synthesis and characterization to identify promising materials, as well as predictive strategies for alloy…

The development of machine learning sheds new light on the traditionally complicated problem of thermodynamics in multicomponent alloys. Successful application of such a method, however, strongly depends on the quality of the data and…

Materials Science · Physics 2019-06-10 Xianglin Liu , Jiaxin Zhang , Markus Eisenbach , Yang Wang

Small molecules exhibiting desirable property profiles are often discovered through an iterative process of designing, synthesizing, and testing sets of molecules. The selection of molecules to synthesize from all possible candidates is a…

Quantitative Methods · Quantitative Biology 2024-05-29 Jenna C. Fromer , Connor W. Coley

Polymers are attractive in applications like flexible electronics and thermal interface materials due to their mechanical compliance and processability. However, conventional polymers have low thermal conductivity (TC), limiting their heat…

Materials Science · Physics 2026-03-25 Yuhan Liu , Jiaxin Xu , Renzheng Zhang , Meng Jiang , Tengfei Luo

We propose an approach to materials prediction that uses a machine-learning interatomic potential to approximate quantum-mechanical energies and an active learning algorithm for the automatic selection of an optimal training dataset. Our…

Materials Science · Physics 2018-06-28 Konstantin Gubaev , Evgeny V. Podryabinkin , Gus L. W. Hart , Alexander V. Shapeev

Additive manufacturing has become one of the forefront technologies in fabrication, enabling new products impossible to manufacture before. Although many materials exist for additive manufacturing, they typically suffer from performance…

Designing molecules that must satisfy multiple, often conflicting objectives is a central challenge in molecular discovery. The enormous size of chemical space and the cost of high-fidelity simulations have driven the development of machine…

Machine Learning · Statistics 2025-12-22 Madhav R. Muthyala , Farshud Sorourifar , Tianhong Tan , You Peng , Joel A. Paulson

Identifying and mitigating safety risks is paramount in a number of industries. In addition to guidelines and best practices, many industries already have safety management systems (SMSs) designed to monitor and reinforce good safety…

Applications · Statistics 2022-05-03 Ashutosh Tewari , Antonio R. Paiva

Robust navigation in changing marine environments requires autonomous systems capable of perceiving, reasoning, and acting under uncertainty. This study introduces a hybrid risk-aware navigation architecture that integrates probabilistic…

Robotics · Computer Science 2026-03-25 Ozan Kaya , Emir Cem Gezer , Roger Skjetne , Ingrid Bouwer Utne

While material innovation can enable sustainable development, environmental and social impacts of emerging materials are often assessed only after design choices are "locked in." Here, we argue for a shift in perspective: life cycle…

Materials Science · Physics 2026-04-28 Rachel Woods-Robinson , Amalie Trewartha

The growing need for structural materials with strength, mechanical stability, and durability in extreme environments is driving the development of high entropy alloys. These are materials with near equiatomic mixing of five or more…

Materials Science · Physics 2025-09-18 Rahul Bouri , Manikantan R. Nair , Tribeni Roy

Corrosion has a wide impact on society, causing catastrophic damage to structurally engineered components. An emerging class of corrosion-resistant materials are high-entropy alloys. However, high-entropy alloys live in high-dimensional…

Materials Science · Physics 2024-09-12 Cheng Zeng , Andrew Neils , Jack Lesko , Nathan Post

Considering health and safety factors in supply chain network design brings safer place for employer and help firm to have better image in the society. There are many health and safety factors overlooked by literature studies of supply…

Optimization and Control · Mathematics 2019-09-10 Sajad Karimi , Zaniar Ardalan

Discovering novel high-entropy alloys (HEAs) with desirable properties is challenging due to the vast compositional space and complex phase formation mechanisms. Efficient exploration of this space requires a strategic approach that…

High entropy alloys add a new dimension, atomic-scale randomness and the associated scale-dependent composition fluctuations, to the traditional metallurgical axes of time-temperature-composition-microstructure. Alloy performance is…

Materials Science · Physics 2020-09-25 Wolfram Georg Nöhring , W. A. Curtin

High-entropy alloys (HEAs) are metallic materials with solid solutions stabilized by high mixing entropy. Some exhibit excellent strength, often accompanied by additional properties such as magnetic, invar, corrosion, or cryogenic response.…

Materials Science · Physics 2024-09-26 Anurag Bajpai , Ziyuan Rao , Abhinav Dixit , Krishanu Biswas , Dierk Raabe

As AI models scale to billions of parameters and operate with increasing autonomy, ensuring their safe, reliable operation demands engineering-grade security and assurance frameworks. This paper presents an enterprise-level, risk-aware,…

Cryptography and Security · Computer Science 2025-05-13 Krti Tallam