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Active learning (AL) plays a critical role in materials science, enabling applications such as the construction of machine-learning interatomic potentials for atomistic simulations and the operation of self-driving laboratories. Despite its…

Materials Science · Physics 2026-01-12 Akhil S. Nair , Lucas Foppa

Increasing spatial and temporal resolution of numerical models continues to propel progress in hydrological sciences, but, at the same time, it has strained the ability of modern automatic calibration methods to produce realistic model…

Applications · Statistics 2020-04-08 Ruochen Sun , Felipe Hernández , Xu Liang , Huiling Yuan

We study the problem of learning the objective functions or constraints of a multiobjective decision making model, based on a set of sequentially arrived decisions. In particular, these decisions might not be exact and possibly carry…

Machine Learning · Computer Science 2022-12-27 Chaosheng Dong , Yijia Wang , Bo Zeng

Rapidly determining structure-property correlations in materials is an important challenge in better understanding fundamental mechanisms and greatly assists in materials design. In microscopy, imaging data provides a direct measurement of…

Material extrusion is one of the most commonly used approaches within the additive manufacturing processes available. Despite its popularity and related technical advancements, process reliability and quality assurance remain only partially…

Machine Learning · Computer Science 2024-06-21 Fátima García-Martínez , Diego Carou , Francisco de Arriba-Pérez , Silvia García-Méndez

A key task in the emerging field of materials informatics is to use machine learning to predict a material's properties and functions. A fast and accurate predictive model allows researchers to more efficiently identify or construct a…

Applications · Statistics 2022-02-01 Mohamed A. Abba , Jonathan P Williams , Brian J Reich

System reliability analysis aims at computing the probability of failure of an engineering system given a set of uncertain inputs and limit state functions. Active-learning solution schemes have been shown to be a viable tool but as of yet…

Methodology · Statistics 2024-05-10 Maliki Moustapha , Pietro Parisi , Stefano Marelli , Bruno Sudret

Advancements in deep learning and machine learning have improved the ability to model complex, nonlinear relationships, such as those encountered in complex material inverse problems. However, the effectiveness of these methods often…

Machine Learning · Computer Science 2025-04-10 Qinyi Tian , Winston Lindqwister , Manolis Veveakis , Laura E. Dalton

In the pursuit of sustainable manufacturing, ultra-short pulse laser micromachining stands out as a promising solution while also offering high-precision and qualitative laser processing. However, unlocking the full potential of ultra-short…

Signal Processing · Electrical Eng. & Systems 2025-12-03 Luis Correas-Naranjo , Miguel Camacho-Sánchez , Laëtitia Launet , Milena Zuric , Valery Naranjo

Forming a hetero-interface is a materials-design strategy that can access an astronomically large phase space. However, the immense phase space necessitates a high-throughput approach for optimal interface design. Here we introduce a…

We propose and show the efficacy of a new method to address generic inverse problems. Inverse modeling is the task whereby one seeks to determine the control parameters of a natural system that produce a given set of observed measurements.…

Machine Learning · Computer Science 2023-08-15 Gregory P. Spell , Simiao Ren , Leslie M. Collins , Jordan M. Malof

Manual modeling in Constraint Programming is a substantial bottleneck, which Constraint Acquisition (CA) aims to automate. However, passive CA methods are prone to over-fitting, often learning models that include spurious global constraints…

Artificial Intelligence · Computer Science 2025-09-30 Vasileios Balafas , Dimos Tsouros , Nikolaos Ploskas , Kostas Stergiou

Optimization modeling underpins decision-making in logistics, manufacturing, energy, and finance, yet translating natural-language requirements into correct optimization formulations and solver-executable code remains labor-intensive.…

Machine Learning · Computer Science 2026-05-27 Zhong Li , Hongliang Lu , Tao Wei , Yuxuan Chen , Wenyu Liu , Yuan Lan , Fan Zhang , Zaiwen Wen

The thermoelastic metamaterial based on a bimaterial hybrid-honeycomb structure, exhibiting simultaneously negative Poisson's ratios and negative thermal expansion coefficients is very promising for various application. This work is…

Applied Physics · Physics 2026-02-25 Xiang-Long Peng , Bai-Xiang Xu

Machine learning-based compact models provide a rapid and efficient approach for estimating device behavior across multiple input parameter variations. In this study, we introduce two reverse-design algorithms that utilize these compact…

Emerging Technologies · Computer Science 2025-08-29 Diego Ferrer , Jack Hutchins , Revanth Koduru , Sumeet Kumar Gupta , Admedullah Aziz

Revealing and analyzing the various properties of materials is an essential and critical issue in the development of materials, including batteries, semiconductors, catalysts, and pharmaceuticals. Traditionally, these properties have been…

Machine Learning · Computer Science 2023-08-21 Limin Wang , Masatoshi Hanai , Toyotaro Suzumura , Shun Takashige , Kenjiro Taura

Designing novel materials that possess desired properties is a central need across many manufacturing industries. Driven by that industrial need, a variety of algorithms and tools have been developed that combine AI (machine learning and…

Computational Engineering, Finance, and Science · Computer Science 2020-01-27 Seiji Takeda , Toshiyuki Hama , Hsiang-Han Hsu , Toshiyuki Yamane , Koji Masuda , Victoria A. Piunova , Dmitry Zubarev , Jed Pitera , Daniel P. Sanders , Daiju Nakano

Hierarchically designed mechanical metamaterials involve nested levels of structural organization, mimicking natural structures (such as bones, wood, and bird feathers) to create advanced functional materials. Compositional hierarchy, a…

Soft Condensed Matter · Physics 2026-05-21 Shammo Dutta , Girish Krishnan , Sree Kalyan Patiballa

Predictive models that accurately emulate complex scientific processes can achieve exponential speed-ups over numerical simulators or experiments, and at the same time provide surrogates for improving the subsequent analysis. Consequently,…

Model predictive control (MPC) is a popular control method that has proved effective for robotics, among other fields. MPC performs re-planning at every time step. Re-planning is done with a limited horizon per computational and real-time…

Robotics · Computer Science 2017-03-22 Aviv Tamar , Garrett Thomas , Tianhao Zhang , Sergey Levine , Pieter Abbeel