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We address the fundamental question of how to optimally probe a scene with electromagnetic (EM) radiation to yield a maximum amount of information relevant to a particular task. Machine learning (ML) techniques have emerged as powerful…

Machine Learning (ML) techniques are revolutionizing the way to perform efficient materials modeling. Nevertheless, not all the ML approaches allow for the understanding of microscopic mechanisms at play in different phenomena. To address…

Materials Science · Physics 2022-06-22 Udaykumar Gajera , Loriano Storchi , Danila Amoroso , Francesco Delodovici , Silvia Picozzi

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…

Anomaly detection is an important task for complex systems (e.g., industrial facilities, manufacturing, large-scale science experiments), where failures in a sub-system can lead to low yield, faulty products, or even damage to components.…

Machine Learning · Computer Science 2023-09-06 Ryan Humble , Zhe Zhang , Finn O'Shea , Eric Darve , Daniel Ratner

Point defects in solid-state materials are now routinely simulated using large supercell structures, requiring efficient quantum mechanical solutions. Data-driven and machine learning (ML) models trained on computational data can enable…

Materials Science · Physics 2026-05-26 Arun Mannodi-Kanakkithodi , Menglin Huang , Prashun Gorai , Seán R. Kavanagh

Mobile mapping, in particular, Mobile Lidar Scanning (MLS) is increasingly widespread to monitor and map urban scenes at city scale with unprecedented resolution and accuracy. The resulting point cloud sampling of the scene geometry can be…

Computer Vision and Pattern Recognition · Computer Science 2023-03-14 Teng Wu , Bruno Vallet , Cédric Demonceaux

Urban morphological measures applied at a high-resolution of spatial analysis can yield a wealth of data describing characteristics of the urban environment in a substantial degree of detail; however, such forms of high-dimensional numeric…

Physics and Society · Physics 2022-01-24 Gareth D. Simons

The rapid development of computational materials science powered by machine learning (ML) is gradually leading to solutions to several previously intractable scientific problems. One of the most prominent is machine learning interatomic…

Materials Science · Physics 2025-05-27 Xiao Fu , Jing Xu , Qifan Yang , Xuhe Gong , Jingchen Lian , Liqi Wang , Zibin Wang , Ruijuan Xiao , Hong Li

This paper presents a fully unsupervised deep change detection approach for mobile robots with 3D LiDAR. In unstructured environments, it is infeasible to define a closed set of semantic classes. Instead, semantic segmentation is…

Robotics · Computer Science 2024-05-01 Alexander Krawciw , Jordy Sehn , Timothy D. Barfoot

A common use of machine learning (ML) models is predicting the class of a sample. Object detection is an extension of classification that includes localization of the object via a bounding box within the sample. Classification, and by…

Machine Learning · Computer Science 2025-08-07 Erin Lanus , Daniel Wolodkin , Laura J. Freeman

Materials with tailored quantum properties can be engineered from atomic scale assembly techniques, but existing methods often lack the agility and accuracy to precisely and intelligently control the manufacturing process. Here we…

With continuous progression of Moore's Law, integrated circuit (IC) device complexity is also increasing. Scanning Electron Microscope (SEM) image based extensive defect inspection and accurate metrology extraction are two main challenges…

Computer Vision and Pattern Recognition · Computer Science 2023-08-17 Vic De Ridder , Bappaditya Dey , Sandip Halder , Bartel Van Waeyenberge

Artificial intelligence is increasingly integrated into radiotherapy workflows, yet such pipelines remain vulnerable to out-of-distribution image data that may introduce unexpected behavior in clinical tasks. Deep learning-based anomaly…

Functional properties of transition-metal oxides strongly depend on crystallographic defects. In transition-metal-oxide electrocatalysts such as SrIrO3 (SIO), crystallographic lattice deviations can affect ionic diffusion and adsorbate…

Identification of anomalous light curves within time-domain surveys is often challenging. In addition, with the growing number of wide-field surveys and the volume of data produced exceeding astronomers ability for manual evaluation,…

Instrumentation and Methods for Astrophysics · Physics 2020-09-30 Sara Webb , Michelle Lochner , Daniel Muthukrishna , Jeff Cooke , Chris Flynn , Ashish Mahabal , Simon Goode , Igor Andreoni , Tyler Pritchard , Timothy M. C. Abbott

In this work, we study the damage in crystalline molybdenum material samples due to neutron bombardment in a primary knock-on atom range of 0.5-10 keV at room temperature. We perform machine learned molecular dynamics (MD) simulations with…

Materials Science · Physics 2021-07-07 F. J. Dominguez-Gutierrez , J. Byggmästar , K. Nordlund , F. Djurabekova , U. von Toussaint

Precise sensing and control of spatial mode content is essential for the performance of precision optical systems, particularly interferometric gravitational-wave detectors, where misalignment and mode mismatch can lead to significant…

Instrumentation and Methods for Astrophysics · Physics 2026-03-31 Liu Tao , Eleonora Capocasa , Yuhang Zhao , Jacques Ding , Isander Ahrend , Matteo Barsuglia

A machine learning approach is presented to accelerate the computation of block polymer morphology evolution for large domains over long timescales. The strategy exploits the separation of characteristic times between coarse-grained…

Chemical Physics · Physics 2023-09-01 Hyun Park , Boyuan Yu , Juhae Park , Ge Sun , Emad Tajkhorshid , Juan J. de Pablo , Ludwig Schneider

Niobium (Nb) and its alloys are extensively used in various technological applications owing to their favorable mechanical, thermal and irradiation properties. Accurately modeling Nb under irradiation is essential for predicting…

Materials Science · Physics 2025-02-06 Utkarsh Bhardwaj , Vinayak Mishra , Suman Mondal , Manoj Warrier

We present a complete set of chemo-structural descriptors to significantly extend the applicability of machine-learning (ML) in material screening and mapping energy landscape for multicomponent systems. These new descriptors allow…

Materials Science · Physics 2018-08-08 Kamal Choudhary , Brian DeCost , Francesca Tavazza