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Using an interface inserted in a background mesh is an alternative way of constructing a complex geometrical shape with a relative low meshing efforts. However, this process may require special treatment of elements cut by the interface.…

Computational Engineering, Finance, and Science · Computer Science 2025-09-26 Guilherme Henrique Teixeira , Michael Loibl , Benjamin Marussig

Artificial intelligence (AI) has transformed materials discovery, enabling rapid exploration of chemical space through generative models and surrogate screening. Yet current AI workflows optimize performance first, deferring sustainability…

The materials engineering data base relevant to fusion irradiation is poorly populated and it has long been recognized that a fusion spectrum neutron source will be required, the facility IFMIF being the present proposal. Re- evaluation of…

Instrumentation and Detectors · Physics 2014-07-23 E. Surrey , M. Porton , T. Davenne , D. Findlay , A. Letchford , J. Thomason , S. G. Roberts , J. Marrow , A. Seryi , B. Connolly , H. Owen

Despite the successful implementations of physics-informed neural networks in different scientific domains, it has been shown that for complex nonlinear systems, achieving an accurate model requires extensive hyperparameter tuning, network…

Computational Engineering, Finance, and Science · Computer Science 2022-11-30 Milad Ramezankhani , Amir Nazemi , Apurva Narayan , Heinz Voggenreiter , Mehrtash Harandi , Rudolf Seethaler , Abbas S. Milani

Synthetic polymeric materials underpin fundamental technologies in the energy, electronics, consumer goods, and medical sectors, yet their development still suffers from prolonged design timelines. Although polymer informatics tools have…

Computational Engineering, Finance, and Science · Computer Science 2025-06-12 Ayush Jain , Rampi Ramprasad

By combining metal nodes with organic linkers we can potentially synthesize millions of possible metal organic frameworks (MOFs). At present, we have libraries of over ten thousand synthesized materials and millions of in-silico predicted…

Materials Science · Physics 2020-06-12 Kevin Maik Jablonka , Daniele Ongari , Seyed Mohamad Moosavi , Berend Smit

Modelling the impact of a material's mesostructure on device level performance typically requires access to 3D image data containing all the relevant information to define the geometry of the simulation domain. This image data must include…

Computer Vision and Pattern Recognition · Computer Science 2024-08-07 Amir Dahari , Steve Kench , Isaac Squires , Samuel J. Cooper

The emerging demand for advanced structural and biological materials calls for novel modeling tools that can rapidly yield high-fidelity estimation on materials properties in design cycles. Lattice spring model (LSM), a coarse-grained…

Materials Science · Physics 2022-02-28 Yuan Chiang , Ting-Wai Chiu , Shu-Wei Chang

This paper demonstrates a methodology to help practitioners maximise the utility of complex multidisciplinary engineering models implemented as spreadsheets, an area presenting unique challenges. As motivation we investigate the expanding…

Software Engineering · Computer Science 2014-01-21 David Birch , Helen Liang , Paul H J Kelly , Glen Mullineux , Tony Field , Joan Ko , Alvise Simondetti

Task-oriented integrated sensing, communication, and computation (ISCC) is a key technology for achieving low-latency edge inference and enabling efficient implementation of artificial intelligence (AI) in industrial cyber-physical systems…

Information Theory · Computer Science 2025-03-04 Jiacheng Yao , Wei Xu , Guangxu Zhu , Kaibin Huang , Shuguang Cui

This article introduces a model-driven engineering (MDE) integrated development environment (IDE) for Data-Intensive Cloud Applications (DIA) with iterative quality enhancements. As part of the H2020 DICE project (ICT-9-2014, id 644869), a…

Software Engineering · Computer Science 2017-09-20 Marc Gil , Christophe Joubert , Ismael Torres

A coupled hygro-thermo-mechanical computational model is proposed for fibre reinforced polymers, formulated within the framework of Computational Homogenisation (CH). At each macrostructure Gauss point, constitutive matrices for thermal,…

Computational Engineering, Finance, and Science · Computer Science 2016-10-14 Zahur Ullah , Lukasz Kaczmarczyk , Sotirios Grammatikos , Mark Evernden , Chris Pearce

The discovery and optimization of phase-change and shape memory alloys remain a tedious and expensive process. Here a simple computational method is proposed to determine the ideal phase-change material for a given alloy composed of three…

Materials Science · Physics 2019-03-05 Nicholas A. Pike , Amina Matt , Ole M. Løvvik

Multimodal deep learning (MDL) has emerged as a transformative approach in computational pathology. By integrating complementary information from multiple data sources, MDL models have demonstrated superior predictive performance across…

Quantitative Methods · Quantitative Biology 2025-11-17 Seth Alain Chang , Muhammad Mueez Amjad , Noorul Wahab , Ethar Alzaid , Nasir Rajpoot , Adam Shephard

Recent advances in product bundling have leveraged multimodal information through sophisticated encoders, but remain constrained by limited semantic understanding and a narrow scope of knowledge. Therefore, some attempts employ In-context…

Information Retrieval · Computer Science 2025-02-04 Xiaohao Liu , Jie Wu , Zhulin Tao , Yunshan Ma , Yinwei Wei , Tat-seng Chua

Collaborative filtering (CF) has been one of the most important and popular recommendation methods, which aims at predicting users' preferences (ratings) based on their past behaviors. Recently, various types of side information beyond the…

Information Retrieval · Computer Science 2020-12-29 Huan Zhao , Quanming Yao , Yangqiu Song , James Kwok , Dik Lun Lee

We consider Bayesian optimization of an expensive-to-evaluate black-box objective function, where we also have access to cheaper approximations of the objective. In general, such approximations arise in applications such as reinforcement…

Machine Learning · Statistics 2016-11-16 Matthias Poloczek , Jialei Wang , Peter I. Frazier

Informatics-driven approaches, such as machine learning and sequential experimental design, have shown the potential to drastically impact next-generation materials discovery and design. In this perspective, we present a few guiding…

An outstanding challenge with the Integrated Information Theory of Consciousness (IIT) is to find a way of rapidly and accurately calculating integrated information from neural data. A number of measures of integrated information based on…

Neurons and Cognition · Quantitative Biology 2016-05-05 Daniel Toker , Friedrich Sommer

The tools used to engineer something are just as important as the thing that is actually being engineered. In fact, in many cases, the tools can indeed determine what is engineerable. In fusion and fission1 energy engineering, software has…

Software Engineering · Computer Science 2025-07-14 Andrea Morales Coto , Aditi Verma
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