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In recent years, the state-of-the-art in deep learning has been dominated by very large models that have been pre-trained on vast amounts of data. The paradigm is very simple: investing more computational resources (optimally) leads to…

Machine Learning · Computer Science 2024-05-24 Sotiris Anagnostidis , Gregor Bachmann , Imanol Schlag , Thomas Hofmann

Optimization has found numerous applications in engineering, particularly since 1960s. Many optimization applications in engineering have more than one objective (or performance criterion). Such applications require multi-objective (or…

Chemical Physics · Physics 2024-07-16 Zhiyuan Wang , Seyed Reza Nabavi , Gade Pandu Rangaiah

A computer model can be used for predicting an output only after specifying the values of some unknown physical constants known as calibration parameters. The unknown calibration parameters can be estimated from real data by conducting…

Methodology · Statistics 2021-06-18 Arvind Krishna , V. Roshan Joseph , Shan Ba , William A. Brenneman , William R. Myers

Research in manipulation of deformable objects is typically conducted on a limited range of scenarios, because handling each scenario on hardware takes significant effort. Realistic simulators with support for various types of deformations…

Robotics · Computer Science 2025-05-15 Priya Sundaresan , Rika Antonova , Jeannette Bohg

System-level design, once the province of board designers, has now become a central concern for chip designers. Because chip design is a less forgiving design medium -- design cycles are longer and mistakes are harder to correct --…

Hardware Architecture · Computer Science 2025-07-15 Shuvra S. Bhattacharyya , Marilyn Wolf

Materials science inherently spans disciplines: experimentalists use advanced microscopy to uncover micro- and nanoscale structure, while theorists and computational scientists develop models that link processing, structure, and properties.…

Machine Learning · Computer Science 2026-03-25 Simon Daubner , Alexander E. Cohen , Benjamin Dörich , Samuel J. Cooper

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

In this research, atomistic molecular dynamics simulations are combined with mesoscopic phase-field computational methods in order to investigate phase-transformation in polycrystalline Aluminum microstructure. In fact, microstructural…

Materials Science · Physics 2019-07-03 Mehrdad Yousefi

Two-scale topology optimization, combined with the design of microstructure families with a broad range of effective material parameters, is increasingly widely used in many fabrication applications to achieve a target deformation behavior…

Graphics · Computer Science 2024-07-25 Davi Colli Tozoni , Zizhou Huang , Daniele Panozzo , Denis Zorin

We present the advantages of a multiscale modelling strategy for the understanding of systems with charged interfaces. On the one hand, one can simulate a complex system at different levels, depending on the relevant length and time scales…

Chemical Physics · Physics 2018-11-26 Benjamin Rotenberg

The optimization of large experiments in fundamental science, such as detectors for subnuclear physics at particle colliders, shares with the optimization of complex systems for industrial or societal applications the common issue of…

Instrumentation and Detectors · Physics 2026-03-30 Tommaso Dorigo , Pietro Vischia , Shahzaib Abbas , Tosin Adewumi , Lama Alkhaled , Lorenzo Arsini , Muhammad Awais , Maxim Borisyak , András Bóta , Florian Bury , Sascha Caron , James Carzon , Long Chen , Prakash C. Chhipa , Paul Christakopoulos , Jacopo De Piccoli , Andrea De Vita , Zlatan Dimitrov , Michele Doro , Luigi Favaro , Francesco Ferranti , Santiago Folgueras , Rihab Gargouri , Nicolas R. Gauger , Andrea Giammanco , Christian Glaser , Tobias Golling , João A. Gonçalves , Hui Han , Hamza Hanif , Lukas Heinrich , Yan Chai Hum , Florent Imbert , Andreas Ipp , Michael Kagan , Noor Kainat Syeda , Rukshak Kapoor , Aparup Khatua , Eduard J. Kerkhoven , Jan Kieseler , Tobias Kortus , Ashish Kumar Singh , Marius S. Köppel , Daniel Lanchares , Ann Lee , Pelayo Leguina , Christos Leonidopoulos , Giuseppe Levi , Boying Li , Chang Liu , Marcus Liwicki , Karl Lowenmark , Enrico Lupi , Carlo Mancini-Terracciano , Dominik Maršík , Leonidas Matsakas , Hamam Mokayed , Federico Nardi , Amirhossein Nayebiastaneh , Xuan T. Nguyen , Aitor Orio , Jingjing Pan , Jigar Patel , Carmelo Pellegrino , María Pereira Martínez , Karolos Potamianos , Shah Rukh Qasim , Martin Ravn , Luis Recabarren Vergara , Humberto Reyes-González , Hipolito A. Riveros Guevara , Ippocratis D. Saltas , Rajkumar Saini , Fredrik Sandin , Alexander Schilling , Kylian Schmidt , Nicola Serra , Saqib Shahzad , Foteini Simistira Liwicki , Giles C. Strong , Kristian Tchiorniy , Mia Tosi , Andrey Ustyuzhanin , Xabier Cid Vidal , Kinga A. Wozniak , Mengqing Wu , Zahraa Zaher

The ever increasing demands placed upon machine performance have resulted in the need for more comprehensive particle accelerator modeling. Computer simulations are key to the success of particle accelerators. Many aspects of particle…

As data-driven methods rise in popularity in materials science applications, a key question is how these machine learning models can be used to understand microstructure. Given the importance of process-structure-property relations…

Artificial Intelligence · Computer Science 2017-11-02 Julia Ling , Maxwell Hutchinson , Erin Antono , Brian DeCost , Elizabeth A. Holm , Bryce Meredig

Plasticity is inherent to many engineering materials such as metals. While it can degrade the load-carrying capacity of structures via material yielding, it can also protect structures through plastic energy dissipation. To fully harness…

Computational Engineering, Finance, and Science · Computer Science 2025-02-05 Yingqi Jia , Xiaojia Shelly Zhang

Biological systems offer a great many examples of how sophisticated, highly adapted behavior can emerge from training. Here we discuss how training might be used to impart similarly adaptive properties in physical matter. As a special form…

Soft Condensed Matter · Physics 2024-03-12 Heinrich M. Jaeger , Arvind Murugan , Sidney R. Nagel

Designing metamaterials that carry out advanced computations poses a significant challenge. A powerful design strategy splits the problem into two steps: First, encoding the desired functionality in a discrete or tight-binding model, and…

Mesoscale and Nanoscale Physics · Physics 2025-09-03 Sima Zahedi Fard , Paolo Tiso , Parisa Omidvar , Marc Serra-Garcia

Reduced order models are computationally inexpensive approximations that capture the important dynamical characteristics of large, high-fidelity computer models of physical systems. This paper applies machine learning techniques to improve…

Machine Learning · Computer Science 2015-11-11 Azam Moosavi , Razvan Stefanescu , Adrian Sandu

Materials with higher operating temperatures than today's state of the art can improve system performance in several applications and enable new technologies. Under most scenarios, a protective oxide scale with high melting temperatures and…

Materials Science · Physics 2020-07-27 Zachary D. McClure , Alejandro H. Strachan

Machine learning is increasingly recognized as a promising technology in the biological, biomedical, and behavioral sciences. There can be no argument that this technique is incredibly successful in image recognition with immediate…

Biological processes involve a variety of spatial and temporal scales. A holistic understanding of many biological processes therefore requires multi-scale models which capture the relevant properties on all these scales. In this manuscript…

Molecular Networks · Quantitative Biology 2015-06-23 Jan Hasenauer , Nick Jagiella , Sabrina Hross , Fabian J. Theis