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Generative machine learning models can use data generated by scientific modeling to create large quantities of novel material structures. Here, we assess how one state-of-the-art generative model, the physics-guided crystal generation model…

Spinodal metamaterials, with architectures inspired by natural phase-separation processes, have presented a significant alternative to periodic and symmetric morphologies when designing mechanical metamaterials with extreme performance.…

Computational Engineering, Finance, and Science · Computer Science 2025-01-10 Prakash Thakolkaran , Michael A. Espinal , Somayajulu Dhulipala , Siddhant Kumar , Carlos M. Portela

This short paper presents the potential of using machine learning to predict materials behaviour in the context of hydrogen interaction with steel. Effort has been made to understand the quality, and amount of data needed to get improved…

Materials Science · Physics 2021-10-22 M. Amir Siddiq

Data quality plays a pivotal role in the predictive performance of machine learning (ML) tasks - a challenge amplified by the deluge of data sources available in modern organizations. Prior work in data discovery largely focus on metadata…

Machine Learning · Computer Science 2025-08-04 Ambarish Singh , Romila Pradhan

When designing materials to optimize certain properties, there are often many possible configurations of designs that need to be explored. For example, the materials' composition of elements will affect properties such as strength or…

Machine Learning · Computer Science 2025-03-20 Shaan Pakala , Dawon Ahn , Evangelos Papalexakis

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…

Computational Engineering, Finance, and Science · Computer Science 2025-06-05 Seongmin Kim , In-Saeng Suh

Additive manufacturing methods together with topology optimization have enabled the creation of multiscale structures with controlled spatially-varying material microstructure. However, topology optimization or inverse design of such…

Materials Science · Physics 2024-08-28 Harikrishnan Vijayakumaran , Jonathan B. Russ , Glaucio H. Paulino , Miguel A. Bessa

We introduce the first application of the lean methodology to machine learning projects. Similar to lean startups and lean manufacturing, we argue that lean machine learning (LeanML) can drastically slash avoidable wastes in commercial…

Machine Learning · Computer Science 2021-08-13 Yves-Laurent Kom Samo

Machine learning models can assist with metamaterials design by approximating computationally expensive simulators or solving inverse design problems. However, past work has usually relied on black box deep neural networks, whose reasoning…

Machine Learning · Computer Science 2022-10-04 Zhi Chen , Alexander Ogren , Chiara Daraio , L. Catherine Brinson , Cynthia Rudin

Microstructure--property relationships are key to effective design of structural materials for advanced applications. Advances in computational methods enabled modeling microstructure-sensitive properties using 3D models (e.g., finite…

Materials Science · Physics 2023-03-20 Guangyu Hu , Marat I. Latypov

Making kirigami-inspired cuts into a sheet has been shown to be an effective way of designing stretchable materials with metamorphic properties where the 2D shape can transform into complex 3D shapes. However, finding the optimal solutions…

Computational Physics · Physics 2018-12-21 Paul Z. Hanakata , Ekin D. Cubuk , David K. Campbell , Harold S. Park

Two-dimensional (2D) materials have been a central focus of recent research because they host a variety of properties, making them attractive both for fundamental science and for applications. It is thus crucial to be able to identify…

Materials Science · Physics 2022-11-18 Mohammad Tohidi Vahdat , Kumar Agrawal Varoon , Giovanni Pizzi

Automated rock classification from mineral composition presents a significant challenge in geological applications, with critical implications for material recycling, resource management, and industrial processing. While existing methods…

Computational Engineering, Finance, and Science · Computer Science 2025-10-17 Iye Szin Ang , Martin Johannes Findl , Elisabeth Hauzinger , Klaus Philipp Sedlazeck , Jyrki Savolainen , Ronald Bakker , Robert Galler , Elmar Rueckert

The recent decades have seen various attempts at accelerating the process of developing materials targeted towards specific applications. The performance required for a particular application leads to the choice of a particular material…

Machine learning (ML) is emerging as a transformative tool for the design of architected materials, offering properties that far surpass those achievable through lab-based trial-and-error methods. However, a major challenge in current…

This paper addresses the problem of robotic cutting during disassembly of products for materials separation and recycling. Waste handling applications differ from milling in manufacturing processes, as they engender considerable variety and…

Robotics · Computer Science 2023-08-30 Jamie Hathaway , Alireza Rastegarpanah , Rustam Stolkin

The increasing prevalence of marine pollution during the past few decades motivated recent research to help ease the situation. Typical water quality assessment requires continuous monitoring of water and sediments at remote locations with…

Machine Learning · Computer Science 2022-03-08 Xiaoting Xu , Tin Lai , Sayka Jahan , Farnaz Farid

Sampling-based methods are widely adopted solutions for robot motion planning. The methods are straightforward to implement, effective in practice for many robotic systems. It is often possible to prove that they have desirable properties,…

Robotics · Computer Science 2022-11-16 Troy McMahon , Aravind Sivaramakrishnan , Edgar Granados , Kostas E. Bekris

A fundamental step in the development of machine learning models commonly involves the tuning of hyperparameters, often leading to multiple model training runs to work out the best-performing configuration. As machine learning tasks and…

Machine Learning · Computer Science 2024-12-12 Daniel Geissler , Bo Zhou , Sungho Suh , Paul Lukowicz

Predicting the thermodynamic properties of mixtures is crucial for process design and optimization in chemical engineering. Machine learning (ML) methods are gaining increasing attention in this field, but experimental data for training are…

Machine Learning · Computer Science 2024-10-10 Dominik Gond , Jan-Tobias Sohns , Heike Leitte , Hans Hasse , Fabian Jirasek