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Materials exhibit geometric structures across mesoscopic to microscopic scales, influencing macroscale properties such as appearance, mechanical strength, and thermal behavior. Capturing and modeling these multiscale structures is…

Graphics · Computer Science 2025-04-15 Bojja Venu , Adam Bosak , Juan Raul Padron-Griffe

Microstructures, characterized by intricate structures at the microscopic scale, hold the promise of important disruptions in the field of mechanical engineering due to the superior mechanical properties they offer. One fundamental…

Computational Geometry · Computer Science 2024-11-26 Qiang Zou , Guoyue Luo

This paper highlights new opportunities for designing large-scale machine learning systems as a consequence of blurring traditional boundaries that have allowed algorithm designers and application-level practitioners to stay -- for the most…

Machine Learning · Computer Science 2014-09-10 Suyog Gupta , Vikas Sindhwani , Kailash Gopalakrishnan

Co-simulation is commonly used for the analysis of complex cyber-physical energy systems (CPES). Different domain-specific simulation tools and modeling approaches are used to simulate all or parts of the system. The co-simulation framework…

Computational Engineering, Finance, and Science · Computer Science 2024-10-23 Annika Ofenloch , Jan Sören Schwarz , Deborah Tolk , Tobias Brandt , Reef Eilers , Rebeca Ramirez

Computational materials science increasingly benefits from data management, automation, and algorithm-based decision-making for the simulation of material properties and behavior. Experimental materials science also changes rapidly by…

One of the possible objectives when designing experiments is to build or formulate a model for predicting future observations. When the primary objective is prediction, some typical approaches in the planning phase are to use…

Methodology · Statistics 2021-10-04 Trent Lemkus , Philip Ramsey , Christopher Gotwalt , Maria Weese

Architected materials can achieve enhanced properties compared to their plain counterparts. Specific architecting serves as a powerful design lever to achieve targeted behavior without changing the base material. Thus, the connection…

Materials Science · Physics 2023-02-14 Andrew J. Lew , Kai Jin , Markus J. Buehler

Designing civil structures such as bridges, dams or buildings is a complex task requiring many synergies from several experts. Each is responsible for different parts of the process. This is often done in a sequential manner, e.g. the…

Optimization and Control · Mathematics 2023-12-07 Atul Agrawal , Erik Tamsen , Phaedon-Stelios Koutsourelakis , Joerg F. Unger

Symbolic regression aims to discover human-interpretable equations that explain observational data. However, existing approaches rely heavily on discrete structure search (e.g., genetic programming), which often leads to high computational…

Machine Learning · Computer Science 2026-03-25 Fateme Memar , Tao Zhe , Dongjie Wang

Modelling, simulation and optimization form an integrated part of modern design practice in engineering and industry. Tremendous progress has been observed for all three components over the last few decades. However, many challenging issues…

Neural and Evolutionary Computing · Computer Science 2014-04-04 Xin-She Yang , Slawomir Koziel , Leifur Leifsson

As industrial recommender systems enter a scaling-driven regime, Transformer architectures have become increasingly attractive for scaling models towards larger capacity and longer sequence. However, existing Transformer-based…

Information Retrieval · Computer Science 2026-02-17 Xu Huang , Hao Zhang , Zhifang Fan , Yunwen Huang , Zhuoxing Wei , Zheng Chai , Jinan Ni , Yuchao Zheng , Qiwei Chen

Accurately predicting when and how materials fail is critical to designing safe, reliable structures, mechanical systems, and engineered components that operate under stress. Yet, fracture behavior remains difficult to model across the…

Scientific discovery evolves from the experimental, through the theoretical and computational, to the current data-intensive paradigm. Materials science is no exception, especially for computational materials science. In recent years, great…

Materials Science · Physics 2018-04-24 Tao Qiang , Honghong Gao

The last decade has witnessed a swiftly increasing interest in the design and production of novel multivalent molecules as powerful alternatives for conventional antibodies in the fight against cancer and infectious diseases. However, while…

Soft Condensed Matter · Physics 2019-08-23 Suman Saurabh , Francesco Piazza

Soft robots promise inherent safety via their material compliance for seamless interactions with humans or delicate environments. Yet, their development is challenging because it requires integrating materials, geometry, actuation, and…

Many very large-scale systems are networks of cyber-physical systems in which humans and autonomous software agents cooperate. To make the cooperation safe for the humans involved, the systems have to follow protocols with rigid real-time…

Software Engineering · Computer Science 2024-10-21 Heinz Schmidt , Peter Herrmann , Maria Spichkova , James Harland , Ian Peake , Ergys Puka

Psychological interventions, especially those leveraging mobile and wireless technologies, often include multiple components that are delivered and adapted on multiple timescales (e.g., coaching sessions adapted monthly based on clinical…

Experimental materials science is experiencing significant growth due to automated experimentation and AI techniques. Integrated autonomous platforms are emerging, combining generative models, robotics, simulations, and automated systems…

Software Engineering · Computer Science 2024-05-31 Amarnath Gupta , Shweta Purawat , Subhasis Dasgupta , Pratyush Karmakar , Elaine Chi , Ilkay Altintas

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

Much of our mechanistic understanding of the functions of biological macromolecules is based on static structural experiments, which can be modelled either as single structures or conformational ensembles. While these provide us with…

Biomolecules · Quantitative Biology 2025-10-02 Daria Gusew , Carl G. Henning Hansen , Kresten Lindorff-Larsen