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Materials informatics is increasingly used to support modelling, analysis and design across the length scales of materials science, from atomistic simulations to microstructural characterisation and continuum descriptions. Despite rapid…

Multidimensional optimization has consistently been a critical challenge in engineering. However, traditional simulation-based optimization methods have long been plagued by significant limitations: they are typically capable of optimizing…

Machine Learning · Computer Science 2025-11-12 Meraj Hassanzadeh , Ehsan Ghaderi , Mohamad Ali Bijarchi , Siamak Kazemzadeh Hannani

For a very long time, computational approaches to the design of new materials have relied on an iterative process of finding a candidate material and modeling its properties. AI has played a crucial role in this regard, helping to…

Application of artificial intelligence (AI), and more specifically machine learning, to the physical sciences has expanded significantly over the past decades. In particular, science-informed AI, also known as scientific AI or inductive…

Designing generalized in-memory computing (IMC) hardware that efficiently supports a variety of workloads requires extensive design space exploration, which is infeasible to perform manually. Optimizing hardware individually for each…

Hardware Architecture · Computer Science 2025-02-04 Olga Krestinskaya , Mohammed E. Fouda , Ahmed Eltawil , Khaled N. Salama

The information plane (Tishby et al. arXiv:physics/0004057, Shwartz-Ziv et al. arXiv:1703.00810) has been proposed as an analytical tool for studying the learning dynamics of neural networks. It provides quantitative insight on how the…

Quantum Physics · Physics 2024-11-05 Nathan Haboury , Mo Kordzanganeh , Alexey Melnikov , Pavel Sekatski

Energy system optimization models are increasing in scope and resolution, yielding large and challenging linear programs. For a long time, the standard way to address such problems has relied on shared-memory interior-point methods (IPM),…

Optimization and Control · Mathematics 2026-05-07 Janina Zittel , Annika Buchholz , Michael Bussieck , Frederik Fiand , Thorsten Koch , Lukas Mehl , Niels Lindner , Manuel Wetzel

Additive manufacturing has become one of the forefront technologies in fabrication, enabling new products impossible to manufacture before. Although many materials exist for additive manufacturing, they typically suffer from performance…

Machine learning-based inverse materials discovery has attracted enormous attention recently due to its flexibility in dealing with black box models. Yet, many metaheuristic algorithms are not as widely applied to materials discovery…

Materials Science · Physics 2023-12-15 Hanfeng Zhai , Hongxia Hao , Jingjie Yeo

Photonic computing using chalcogenide phase-change materials (PCMs) is under active development for energy-efficient artificial intelligence (AI) applications. A key requirement is to enable as many optically programmable levels per device…

The ever-increasing parameter counts of deep learning models necessitate effective compression techniques for deployment on resource-constrained devices. This paper explores the application of information geometry, the study of…

Machine Learning · Computer Science 2025-07-15 Zakhar Shumaylov , Vasileios Tsiaras , Yannis Stylianou

Does a machine learning model actually gain an understanding of the material space? We answer this question in the affirmative on the example of the OptiMate model, a graph attention network trained to predict the optical properties of…

Materials Science · Physics 2026-01-19 Malte Grunert , Max Großmann , Erich Runge

While machine learning has emerged in recent years as a useful tool for rapid prediction of materials properties, generating sufficient data to reliably train models without overfitting is still impractical for many applications. Towards…

Materials Science · Physics 2022-07-29 Rees Chang , Yu-Xiong Wang , Elif Ertekin

Multi-modal entity alignment (MMEA) is essential for enhancing knowledge graphs and improving information retrieval and question-answering systems. Existing methods often focus on integrating modalities through their complementarity but…

Artificial Intelligence · Computer Science 2024-10-21 Wei Ai , Wen Deng , Hongyi Chen , Jiayi Du , Tao Meng , Yuntao Shou

Infrared and visible image fusion aims at generating a fused image containing the intensity and detail information of source images, and the key issue is effectively measuring and integrating the complementary information of multi-modality…

Computer Vision and Pattern Recognition · Computer Science 2024-11-21 Guang Yang , Jie Li , Hanxiao Lei , Xinbo Gao

The acceleration of materials discovery requires digital platforms that go beyond data repositories to embed learning, optimization, and decision-making directly into research workflows. We introduce DataScribe, an AI-native, cloud-based…

Machine Learning · Computer Science 2026-01-14 Divyanshu Singh , Doguhan Sarıtürk , Cameron Lea , Md Shafiqul Islam , Raymundo Arroyave , Vahid Attari

The proliferation of artificial intelligence has enabled a diversity of applications that bridge the gap between digital and physical worlds. As physical environments are too complex to model through a single information acquisition…

Machine Learning · Computer Science 2025-08-11 Yu Zheng

To address increasing compute demand from recent multi-model workloads with heavy models like large language models, we propose to deploy heterogeneous chiplet-based multi-chip module (MCM)-based accelerators. We develop an advanced…

Hardware Architecture · Computer Science 2023-12-18 Mohanad Odema , Hyoukjun Kwon , Mohammad Abdullah Al Faruque

The input data pipeline is an essential component of each machine learning (ML) training job. It is responsible for reading massive amounts of training data, processing batches of samples using complex transformations, and loading them onto…

Machine Learning · Computer Science 2024-11-28 Mark Zhao , Emanuel Adamiak , Christos Kozyrakis

Materials informatics, data-enabled investigation, is a "fourth paradigm" in materials science research after the conventional empirical approach, theoretical science, and computational research. Materials informatics has two essential…

Materials Science · Physics 2023-05-09 Bhupesh Bishnoi
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