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Materials discovery is crucial for making scientific advances in many domains. Collections of data from experiments and first-principle computations have spurred interest in applying machine learning methods to create predictive models…

We propose MatSci ML, a novel benchmark for modeling MATerials SCIence using Machine Learning (MatSci ML) methods focused on solid-state materials with periodic crystal structures. Applying machine learning methods to solid-state materials…

The optimization along the chain processing-structure-properties-performance is one of the core objectives in data-driven materials science. In this sense, processes are supposed to manufacture workpieces with targeted material…

Materials Science · Physics 2022-03-24 Tarek Iraki , Lukas Morand , Johannes Dornheim , Norbert Link , Dirk Helm

Materials science datasets are inherently heterogeneous and are available in different modalities such as characterization spectra, atomic structures, microscopic images, and text-based synthesis conditions. The advancements in multi-modal…

Machine Learning · Computer Science 2024-11-14 Janghoon Ock , Joseph Montoya , Daniel Schweigert , Linda Hung , Santosh K. Suram , Weike Ye

Interfaces between materials play a crucial role in the performance of most devices. However, predicting the structure of a material interface is computationally demanding due to the vast configuration space, which requires evaluating an…

Materials Science · Physics 2025-08-12 Ned Thaddeus Taylor , Joe Pitfield , Francis Huw Davies , Steven Paul Hepplestone

Software-hardware co-design is essential for optimizing in-memory computing (IMC) hardware accelerators for neural networks. However, most existing optimization frameworks target a single workload, leading to highly specialized hardware…

Hardware Architecture · Computer Science 2026-03-05 Olga Krestinskaya , Mohammed E. Fouda , Ahmed Eltawil , Khaled N. Salama

Multimodal deep learning harnesses diverse imaging modalities, such as MRI sequences, to enhance diagnostic accuracy in medical imaging. A key challenge is determining the optimal timing for integrating these modalities-specifically,…

Computer Vision and Pattern Recognition · Computer Science 2026-02-16 Valerio Guarrasi , Klara Mogensen , Sara Tassinari , Sara Qvarlander , Paolo Soda

As Generative Engines revolutionize information retrieval by synthesizing direct answers from retrieved sources, ensuring source visibility becomes a significant challenge. Improving it through targeted content revisions is a practical…

Information Retrieval · Computer Science 2026-01-21 Heyang Zhou , JiaJia Chen , Xiaolu Chen , Jie Bao , Zhen Chen , Yong Liao

Cyberattacks can cause a severe impact on power systems unless detected early. However, accurate and timely detection in critical infrastructure systems presents challenges, e.g., due to zero-day vulnerability exploitations and the…

Machine Learning · Computer Science 2022-03-14 Abhijeet Sahu , Zeyu Mao , Patrick Wlazlo , Hao Huang , Katherine Davis , Ana Goulart , Saman Zonouz

Advances in high-throughput technologies have originated an ever-increasing availability of omics datasets. The integration of multiple heterogeneous data sources is currently an issue for biology and bioinformatics. Multiple kernel…

Machine Learning · Statistics 2024-12-04 Mitja Briscik , Gabriele Tazza , Marie-Agnes Dillies , László Vidács , Sébastien Dejean

Multi-modality image fusion aims at fusing modality-specific (complementarity) and modality-shared (correlation) information from multiple source images. To tackle the problem of the neglect of inter-feature relationships, high-frequency…

Computer Vision and Pattern Recognition · Computer Science 2025-05-20 Xiaoli Zhang , Liying Wang , Libo Zhao , Xiongfei Li , Siwei Ma

In multimodal sentiment analysis (MSA), the performance of a model highly depends on the quality of synthesized embeddings. These embeddings are generated from the upstream process called multimodal fusion, which aims to extract and combine…

Computation and Language · Computer Science 2021-09-17 Wei Han , Hui Chen , Soujanya Poria

The increasing demands of sustainable energy, electronics, and biomedical applications call for next-generation functional materials with unprecedented properties. Of particular interest are emerging materials that display exceptional…

The "IMP Science Gateway Portal" (http://scigate.imp.kiev.ua) for complex workflow management and integration of distributed computing resources (like clusters, service grids, desktop grids, clouds) is presented. It is created on the basis…

Computational Engineering, Finance, and Science · Computer Science 2014-04-23 Yuri Gordienko , Lev Bekenov , Olexandr Gatsenko , Elena Zasimchuk , Valentin Tatarenko

To overcome the brittleness limitation of ceramics, various toughening mechanisms have been proposed. Some of the most remarkable, especially for oxides, include the tetragonal-to-monoclinic phase transformation leading to crack shielding…

Materials Science · Physics 2025-01-23 Jian Zhang , Francesco Aiello , Mauro Salazar , Diletta Giuntini

Increasing AI computing demands and slowing transistor scaling have led to the advent of Multi-Chip-Module (MCMs) based accelerators. MCMs enable cost-effective scalability, higher yield, and modular reuse by partitioning large chips into…

Hardware Architecture · Computer Science 2025-05-06 Ritik Raj , Shengjie Lin , William Won , Tushar Krishna

This work introduces an innovative parallel, fully-distributed finite element framework for growing geometries and its application to metal additive manufacturing. It is well-known that virtual part design and qualification in additive…

Computational Engineering, Finance, and Science · Computer Science 2019-04-30 Eric Neiva , Santiago Badia , Alberto F. Martín , Michele Chiumenti

In this position paper, we propose an approach for sustainable data collection in the field of optimal mix design for marble sludge reuse. Marble sludge, a calcium-rich residual from stone-cutting processes, can be repurposed by mixing it…

We have developed a graphical user interface (GUI) based package $\mu$2mech to perform phase-field simulation for predicting microstructure evolution. The package can take inputs from ab initio calculations and CALPHAD (Calculation of Phase…

Although the convergence of high-performance computing, automation, and machine learning has significantly altered the materials design timeline, transformative advances in functional materials and acceleration of their design will require…