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Imaging, scattering, and spectroscopy are fundamental in understanding and discovering new functional materials. Contemporary innovations in automation and experimental techniques have led to these measurements being performed much faster…

Machine Learning · Computer Science 2022-01-12 Tatiana Konstantinova , Phillip M. Maffettone , Bruce Ravel , Stuart I. Campbell , Andi M. Barbour , Daniel Olds

In recent years, materials informatics, which combines data science and artificial intelligence (AI), has garnered significant attention owing to its ability to accelerate material development, reduce costs, and enhance product design.…

Computational Physics · Physics 2025-02-11 Wenyang Ding , Jiang Guo , Meng An , Koji Tsuda , Junichiro Shiomi

Exploring the possibility that fundamental constants of Nature might vary temporally or spatially constitutes one of the key science drivers for the European Southern Observatory's ESPRESSO spectrograph on the VLT and for the HIRES…

Cosmology and Nongalactic Astrophysics · Physics 2021-04-21 Chung-Chi Lee , John K. Webb , R. F. Carswell , Dinko Milaković

On-chip integration of highly anisotropic two-dimensional (2D) materials offers new opportunities for realizing high performance polarization selective devices. Obtaining optimized designs for such devices requires extensively sweeping…

Scanning transmission electron microscopy (STEM) has become a cornerstone instrument for semiconductor materials metrology, enabling nanoscale analysis of complex multilayer structures that define device performance. Developing effective…

Accelerating the discovery of mechanical properties in combinatorial materials requires autonomous experimentation that accounts for both instrument behavior and experimental cost. Here, an automated nanoindentation (AE-NI) framework is…

Materials Science · Physics 2025-11-24 Vivek Chawla , Stephen Puplampu , Haochen Zhu , Philip D. Rack , Dayakar Penumadu , Sergei Kalinin

Advances in manufacturing and characterization of complex molecular systems have created a need for new methods for design at molecular length scales. Emerging approaches are increasingly relying on the use of Artificial Intelligence (AI),…

Soft Condensed Matter · Physics 2022-08-17 Dan Mendels , Fabian Byléhn , Timothy W. Sirk , Juan J. de Pablo

Multimodal characterization is commonly required for understanding materials. User facilities possess the infrastructure to perform these measurements, albeit in serial over days to months. In this paper, we describe a unified multimodal…

Eye-tracking data reveals valuable insights into users' cognitive states but is difficult to analyze due to its structured, non-linguistic nature. While large language models (LLMs) excel at reasoning over text, they struggle with temporal…

Human-Computer Interaction · Computer Science 2025-07-25 Dongyang Guo , Yasmeen Abdrabou , Enkeleda Thaqi , Enkelejda Kasneci

Optimization for different tasks like material characterization, synthesis, and functional properties for desired applications over multi-dimensional control parameters need a rapid strategic search through active learning such as Bayesian…

Machine Learning · Computer Science 2026-03-16 Arpan Biswas , Hiroshi Funakubo , Yongtao Liu

Advanced scientific user facilities, such as next generation X-ray light sources and self-driving laboratories, are revolutionizing scientific discovery by automating routine tasks and enabling rapid experimentation and characterizations.…

Instrumentation and Detectors · Physics 2025-09-03 Aikaterini Vriza , Michael H. Prince , Tao Zhou , Henry Chan , Mathew J. Cherukara

This paper introduces decentralized and modular neural network framework designed to enhance the scalability, interpretability, and performance of artificial intelligence (AI) systems. At the heart of this framework is a dynamic switch…

Neural and Evolutionary Computing · Computer Science 2025-04-28 Surajit Majumder , Paritosh Ranjan , Prodip Roy , Bhuban Padhan

We present X-AutoMap, a modular framework for autonomous X-ray fluorescence (XRF) mapping that enables chemically informed targeting of regions of interest through a correlative feature detection strategy. The system integrates classical…

Instrumentation and Detectors · Physics 2025-11-14 Carlos Deleon , Dmitri Gavrilov , Peggy ODay , Ajith Pattammattel

This paper introduces a novel framework that accelerates the discovery of actionable relationships in high-dimensional temporal data by integrating machine learning (ML), explainable AI (XAI), and natural language processing (NLP) to…

Machine Learning · Computer Science 2025-06-09 Jiztom Kavalakkatt Francis , Matthew J Darr

Artificial intelligence (AI) has evolved into an ecosystem of specialized "species," each with unique strengths. We analyze two: DeepSeek-V3, a 671-billion-parameter Mixture of Experts large language model (LLM) exemplifying scale-driven…

Machine Learning · Computer Science 2025-06-23 Joseph Geraci , Bessi Qorri , Christian Cumbaa , Mike Tsay , Paul Leonczyk , Luca Pani

The Long Baseline Neutrino Facility (LBNF) at Fermilab will deliver a high-intensity, multi-megawatt neutrino beam to the Deep Underground Neutrino Experiment (DUNE), enabling precision tests of the three-neutrino paradigm, CP violation…

Accelerator Physics · Physics 2025-08-12 S. Ganguly

AI and data-driven models have large potential for data assimilation applications by creating fast and accurate forecasts. Their tendency to produce spurious inaccurate, nonphysical results -- hallucination -- however, raises a serious…

Computational Engineering, Finance, and Science · Computer Science 2026-04-28 Andrey A. Popov

In recent years, rapid progress has been made in developing artificial intelligence (AI) and machine learning (ML) methods for x-ray absorption spectroscopy (XAS) analysis. Compared to traditional XAS analysis methods, AI/ML approaches…

Unravelling the complex processes governing battery degradation is critical to the energy transition, yet the efficacy of operando characterisation is severely constrained by a lack of Reliability, Representativeness, and Reproducibility…

Commonly adopted in the manufacturing and aerospace sectors, digital twin (DT) platforms are increasingly seen as a promising paradigm to control, monitor, and analyze software-based, "open", communication systems. Notably, DT platforms…

Signal Processing · Electrical Eng. & Systems 2023-08-30 Clement Ruah , Osvaldo Simeone , Bashir Al-Hashimi
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